Mercurial > repos > recetox > matchms

view test-data/similarity/scores_test2_out.json @ 4:ba5e9bd05d5b draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 5661cf2406e0616d7b2f4bee1b57ec43716088de
author recetox
date Tue, 18 Oct 2022 11:00:55 +0000
parents
children
line wrap: on
line source

{"__Scores__": true, "similarity_function": {"__Similarity__": "CosineGreedy", "tolerance": 0.1, "mz_power": 0.0, "intensity_power": 1.0}, "is_symmetric": false, "references": [{"scannumber": "1161", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C4H10NO3PS", "inchikey": "YASYVMFAVPKPKE-SECBINFHSA-N", "inchi": "", "smiles": "COP(=O)(N=C(O)C)SC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "num_peaks": "16", "compound_name": "Acephate", "retention_time": 1.232997, "precursor_mz": 184.0194, "collision_energy": "", "peaks_json": [[90.09368, 1128.0], [93.11512, 1241.0], [95.10279, 1118.0], [101.31465, 1152.0], [102.90688, 1322.0], [103.98039, 1201.0], [112.01607, 12289.0], [112.99994, 38027.0], [115.00399, 1634.0], [124.98121, 922.0], [128.97701, 9208.0], [132.57193, 1350.0], [135.84808, 1428.0], [142.99275, 16419.0], [147.94205, 1750.0], [173.5094, 2353.0]]}, {"scannumber": "2257", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H11NO2", "inchikey": "CVXBEEMKQHEXEN-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1cccc2c1cccc2)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"145.06491": "Theoretical m/z 145.064787, Mass diff 0 (0.85 ppm), SMILES OC1=CC=CC=2C=CC=CC12, Annotation [C10H8O+H]+, Rule of HR True"}, "num_peaks": "1", "compound_name": "Carbaryl", "retention_time": 5.259445, "precursor_mz": 202.0863, "collision_energy": "", "peaks_json": [[145.06491, 1326147.0]]}, {"scannumber": "1516", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C8H16NO5P", "inchikey": "VEENJGZXVHKXNB-UHFFFAOYSA-N", "inchi": "", "smiles": "COP(=O)(OC(=CC(=O)N(C)C)C)OC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"112.07591": "Theoretical m/z 112.075687, Mass diff 0 (1.99 ppm), SMILES O=C(C=CC)N(C)C, Annotation [C6H11NO-H]+, Rule of HR True", "127.01563": "Theoretical m/z 127.01547, Mass diff 0 (1.26 ppm), SMILES O=P(O)(OC)OC, Annotation [C2H7O4P+H]+, Rule of HR True", "193.02605": "Theoretical m/z 193.026035, Mass diff 0 (0.08 ppm), SMILES O=CC=C(OP(=O)(OC)OC)C, Annotation [C6H11O5P-H]+, Rule of HR True", "238.08437": "Theoretical m/z 238.083891, Mass diff 0 (2.01 ppm), SMILES O=C(C=C(OP(=O)(OC)OC)C)N(C)C, Annotation [C8H16NO5P+H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Dicrotophos", "retention_time": 2.025499, "precursor_mz": 238.0844, "collision_energy": "", "peaks_json": [[112.074, 102027.0], [112.07591, 9070987.0], [127.01563, 3230337.0], [193.02605, 7897744.0], [238.08437, 2973124.0]]}, {"scannumber": "1865", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C5H12NO3PS2", "inchikey": "MCWXGJITAZMZEV-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(CSP(=S)(OC)OC)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"88.0219": "Theoretical m/z 88.021549, Mass diff 0 (3.99 ppm), SMILES SCC=NC, Annotation [C3H7NS-H]+, Rule of HR True", "124.98233": "Theoretical m/z 124.982067, Mass diff 0 (2.11 ppm), SMILES S=P(OC)OC, Annotation [C2H7O2PS-H]+, Rule of HR True", "142.99275": "Theoretical m/z 142.993177, Mass diff 0 (0 ppm), Formula C2H8O3PS", "156.95422": "Theoretical m/z 156.954136, Mass diff 0 (0.54 ppm), SMILES S=P(S)(OC)OC, Annotation [C2H7O2PS2-H]+, Rule of HR True", "170.97": "Theoretical m/z 170.969791, Mass diff 0 (1.22 ppm), SMILES S=P(OC)(OC)SC, Annotation [C3H9O2PS2-H]+, Rule of HR True", "197.98123": "Theoretical m/z 197.980686, Mass diff 0.001 (2.75 ppm), SMILES S=P(OC)SCC(O)=NC, Annotation [C4H10NO2PS2-H]+, Rule of HR True", "198.96501": "Theoretical m/z 198.965248, Mass diff 0 (0 ppm), Formula C4H8O3PS2", "230.00722": "Theoretical m/z 230.006895, Mass diff 0 (1.41 ppm), SMILES S=P(OC)(OC)SCC(O)=NC, Annotation [C5H12NO3PS2+H]+, Rule of HR True"}, "num_peaks": "8", "compound_name": "Dimethoate", "retention_time": 2.866696, "precursor_mz": 230.0072, "collision_energy": "", "peaks_json": [[88.0219, 548446.0], [124.98233, 183861.0], [142.99275, 722053.0], [156.95422, 80792.0], [170.97, 1426256.0], [197.98123, 240915.0], [198.96501, 5415933.0], [230.00722, 497851.0]]}, {"scannumber": "3852", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C21H22NO4Cl", "inchikey": "QNBTYORWCCMPQP-UHFFFAOYSA-N", "inchi": "", "smiles": "COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"114.05532": "Theoretical m/z 114.054958, Mass diff 0 (3.17 ppm), SMILES O=CN1CCOCC1, Annotation [C5H9NO2-H]+, Rule of HR True", "125.01571": "Theoretical m/z 125.015255, Mass diff 0 (3.64 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True", "138.99484": "Theoretical m/z 138.995067, Mass diff 0 (0 ppm), Formula C7H4ClO", "155.0705": "Theoretical m/z 155.070819, Mass diff 0 (0 ppm), Formula C8H11O3", "165.05519": "Theoretical m/z 165.055169, Mass diff -0.001 (0 ppm), Formula C9H9O3", "195.08057": "Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O", "215.0262": "Theoretical m/z 215.026368, Mass diff 0 (0 ppm), Formula C13H8ClO", "223.07544": "Theoretical m/z 223.075837, Mass diff 0 (1.78 ppm), SMILES O=C(C=CC1=CC=C(Cl)C=C1)N(C)CC, Annotation [C12H14ClNO]+, Rule of HR False", "227.02576": "Theoretical m/z 227.026368, Mass diff 0 (0 ppm), Formula C14H8ClO", "229.04225": "Theoretical m/z 229.041467, Mass diff 0.001 (3.42 ppm), SMILES ClC1=CC=C(C=C1)CC2=CC=C(OC)C=C2, Annotation [C14H13ClO-3H]+, Rule of HR True", "235.07555": "Theoretical m/z 235.075842, Mass diff 0 (1.24 ppm), SMILES O=C(C=CC1=CC=C(Cl)C=C1)N(CC)CC, Annotation [C13H16ClNO-2H]+, Rule of HR False", "238.09914": "Theoretical m/z 238.099317, Mass diff 0 (0.75 ppm), SMILES O=C(C=CC1=CC=C(Cl)C=C1)N(CC)CC, Annotation [C13H16ClNO+H]+, Rule of HR True", "243.02142": "Theoretical m/z 243.021282, Mass diff -0.001 (0 ppm), Formula C14H8ClO2", "257.03726": "Theoretical m/z 257.036371, Mass diff 0.001 (3.46 ppm), SMILES ClC1=CC=C(C=C1)C(=C)C2=CC=C(OC)C(O)=C2, Annotation [C15H13ClO2-3H]+, Rule of HR True", "266.0943": "Theoretical m/z 266.093756, Mass diff 0.001 (2.04 ppm), SMILES O=CC=C(C=1C=CC=CC1)C2=CC=C(OC)C(OC)=C2, Annotation [C17H16O3-2H]+, Rule of HR False", "273.06772": "Theoretical m/z 273.067676, Mass diff 0 (0.16 ppm), SMILES ClC1=CC=C(C=C1)C(=C)C2=CC=C(OC)C(OC)=C2, Annotation [C16H15ClO2-H]+, Rule of HR True", "301.06311": "Theoretical m/z 301.06261, Mass diff 0 (1.66 ppm), SMILES O=CC=C(C1=CC=C(Cl)C=C1)C2=CC=C(OC)C(OC)=C2, Annotation [C17H15ClO3-H]+, Rule of HR True"}, "num_peaks": "22", "compound_name": "Dimethomorph", "retention_time": 7.060486, "precursor_mz": 388.1316, "collision_energy": "", "peaks_json": [[114.05532, 468862.0], [125.01571, 886745.0], [138.99484, 4138370.0], [155.0705, 425164.0], [165.05519, 15513399.0], [165.06543, 350695.0], [195.08057, 386226.0], [215.0262, 490061.0], [223.07544, 702025.0], [227.02576, 230514.0], [229.04225, 216308.0], [235.07555, 241142.0], [238.09914, 1323577.0], [242.04929, 2449236.0], [243.02142, 891584.0], [257.03726, 578874.0], [258.04443, 3232295.0], [266.0943, 358273.0], [270.04492, 608851.0], [273.06772, 3866006.0], [286.03912, 483547.0], [301.06311, 4060551.0]]}, {"scannumber": "1009", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C2H8NO2PS", "inchikey": "NNKVPIKMPCQWCG-ZCFIWIBFSA-N", "inchi": "", "smiles": "COP(=O)(SC)N", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"109.98272": "Theoretical m/z 109.982395, Mass diff 0 (2.96 ppm), SMILES O=P(SC)N, Annotation [CH6NOPS-H]+, Rule of HR True", "127.99321": "Theoretical m/z 127.992964, Mass diff 0 (1.92 ppm), SMILES O=P(S)(OC)N, Annotation [CH6NO2PS+H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Methamidophos", "retention_time": 1.153307, "precursor_mz": 142.0089, "collision_energy": "", "peaks_json": [[98.00042, 37721.0], [109.98272, 71172.0], [112.01607, 2867923.0], [127.99321, 75837.0]]}, {"scannumber": "1924", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C7H13O6P", "inchikey": "GEPDYQSQVLXLEU-UHFFFAOYSA-N", "inchi": "", "smiles": "COC(=O)C=C(OP(=O)(OC)OC)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"99.04416": "Theoretical m/z 99.044056, Mass diff 0 (1.05 ppm), SMILES O=C(OC)C=CC, Annotation [C5H8O2-H]+, Rule of HR True", "127.01563": "Theoretical m/z 127.01547, Mass diff 0 (1.26 ppm), SMILES O=P(O)(OC)OC, Annotation [C2H7O4P+H]+, Rule of HR True", "193.02605": "Theoretical m/z 193.026035, Mass diff 0 (0.08 ppm), SMILES O=C(OC)C=C(OP(=O)OC)C, Annotation [C6H11O5P-H]+, Rule of HR True", "225.05209": "Theoretical m/z 225.052259, Mass diff 0 (0.75 ppm), SMILES O=C(OC)C=C(OP(=O)(OC)OC)C, Annotation [C7H13O6P+H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Mevinphos", "retention_time": 2.876307, "precursor_mz": 225.0525, "collision_energy": "", "peaks_json": [[99.04416, 295529.0], [127.01563, 1960973.0], [193.02605, 1150190.0], [225.05209, 101872.0]]}, {"scannumber": "1246", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C5H12NO4PS", "inchikey": "PZXOQEXFMJCDPG-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(CSP(=O)(OC)OC)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"104.01654": "Theoretical m/z 104.01646, Mass diff 0 (0.77 ppm), SMILES OC(=NC)CS, Annotation [C3H7NOS-H]+, Rule of HR True", "124.98233": "Theoretical m/z 124.982067, Mass diff 0 (2.11 ppm), SMILES O=P(OC)SC, Annotation [C2H7O2PS-H]+, Rule of HR True", "127.01563": "Theoretical m/z 127.01602, Mass diff 0 (0 ppm), Formula C2H8O4P", "128.97701": "Theoretical m/z 128.97698, Mass diff 0 (0.23 ppm), SMILES O=P(O)(S)OC, Annotation [CH5O3PS+H]+, Rule of HR True", "142.99275": "Theoretical m/z 142.992628, Mass diff 0 (0.85 ppm), SMILES O=P(S)(OC)OC, Annotation [C2H7O3PS+H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Omethoate", "retention_time": 1.33423, "precursor_mz": 214.0303, "collision_energy": "", "peaks_json": [[104.01654, 86844.0], [124.98233, 194375.0], [127.01563, 4696021.0], [128.97701, 47970.0], [142.99275, 4310988.0]]}, {"scannumber": "5447", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C16H20O6P2S3", "inchikey": "WWJZWCUNLNYYAU-UHFFFAOYSA-N", "inchi": "", "smiles": "COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"124.98233": "Theoretical m/z 124.982067, Mass diff 0 (2.11 ppm), SMILES S=P(OC)OC, Annotation [C2H7O2PS-H]+, Rule of HR True", "125.00596": "Theoretical m/z 125.005565, Mass diff 0 (3.16 ppm), SMILES OC1=CC=C(S)C=C1, Annotation [C6H6OS-H]+, Rule of HR True", "127.01563": "Theoretical m/z 127.01602, Mass diff 0 (0 ppm), Formula C2H8O4P", "139.02167": "Theoretical m/z 139.021761, Mass diff 0 (0 ppm), Formula C7H7OS", "139.05467": "Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7", "140.95975": "Theoretical m/z 140.959768, Mass diff -0.001 (0 ppm), Formula C2H6OPS2", "142.99275": "Theoretical m/z 142.992628, Mass diff 0 (0.85 ppm), SMILES S=P(O)(OC)OC, Annotation [C2H7O3PS+H]+, Rule of HR True", "154.99849": "Theoretical m/z 154.998917, Mass diff 0 (0 ppm), Formula C7H7S2", "157.00861": "Theoretical m/z 157.008827, Mass diff 0 (0 ppm), Formula C3H10O3PS", "171.02641": "Theoretical m/z 171.026846, Mass diff 0 (0 ppm), Formula C11H7S", "183.02695": "Theoretical m/z 183.0263, Mass diff 0.001 (3.55 ppm), SMILES S(C=1C=CC=CC1)C=2C=CC=CC2, Annotation [C12H10S-3H]+, Rule of HR True", "187.02121": "Theoretical m/z 187.021761, Mass diff 0 (0 ppm), Formula C11H7OS", "199.02151": "Theoretical m/z 199.021219, Mass diff 0 (1.46 ppm), SMILES OC1=CC=C(SC=2C=CC=CC2)C=C1, Annotation [C12H10OS-3H]+, Rule of HR True", "201.03729": "Theoretical m/z 201.036869, Mass diff 0 (2.1 ppm), SMILES OC1=CC=C(SC=2C=CC=CC2)C=C1, Annotation [C12H10OS-H]+, Rule of HR True", "211.03268": "Theoretical m/z 211.032278, Mass diff -0.001 (0 ppm), Formula C3H17O4P2S", "215.01689": "Theoretical m/z 215.016122, Mass diff 0.001 (3.57 ppm), SMILES OC1=CC=C(SC2=CC=C(O)C=C2)C=C1, Annotation [C12H10O2S-3H]+, Rule of HR True", "217.03214": "Theoretical m/z 217.031772, Mass diff 0 (1.69 ppm), SMILES OC1=CC=C(SC2=CC=C(O)C=C2)C=C1, Annotation [C12H10O2S-H]+, Rule of HR True", "218.98798": "Theoretical m/z 218.988091, Mass diff 0 (0 ppm), Formula C7H8O4PS", "219.02972": "Theoretical m/z 219.029348, Mass diff -0.001 (0 ppm), Formula C11H7O5", "230.99336": "Theoretical m/z 230.993832, Mass diff 0 (0 ppm), Formula C12H7OS2", "233.00958": "Theoretical m/z 233.010484, Mass diff 0 (0 ppm), Formula C2H18O4PS3", "247.02538": "Theoretical m/z 247.026134, Mass diff 0 (0 ppm), Formula C3H20O4PS3", "262.99268": "Theoretical m/z 262.993177, Mass diff 0 (0 ppm), Formula C12H8O3PS", "278.98856": "Theoretical m/z 278.988091, Mass diff -0.001 (0 ppm), Formula C12H8O4PS", "293.00336": "Theoretical m/z 293.003741, Mass diff 0 (0 ppm), Formula C13H10O4PS", "294.96494": "Theoretical m/z 294.965248, Mass diff 0 (0 ppm), Formula C12H8O3PS2", "296.99844": "Theoretical m/z 296.998656, Mass diff 0 (0 ppm), Formula C12H10O5PS", "311.01453": "Theoretical m/z 311.015175, Mass diff 0 (0 ppm), Formula C14H16PS3", "313.01282": "Theoretical m/z 313.01164, Mass diff 0.001 (3.77 ppm), SMILES S=P(OC1=CC=C(SC2=CC=C(O)C=C2)C=C1)OC, Annotation [C13H13O3PS2+H]+, Rule of HR True", "341.00787": "Theoretical m/z 341.00658, Mass diff 0.001 (3.78 ppm), SMILES S=P(OC1=CC=C(SC2=CC=C(O)C=C2)C=C1)(OC)OC, Annotation [C14H15O4PS2-H]+, Rule of HR True", "357.03922": "Theoretical m/z 357.038413, Mass diff -0.001 (0 ppm), Formula C15H18O4PS2"}, "num_peaks": "44", "compound_name": "Temephos", "retention_time": 7.736881, "precursor_mz": 466.9978, "collision_energy": "", "peaks_json": [[124.98233, 218400.0], [125.00596, 124192.0], [127.01563, 590561.0], [139.02167, 79978.0], [139.05467, 105470.0], [140.95975, 428071.0], [142.99275, 7482486.0], [154.99849, 619650.0], [157.00861, 365474.0], [171.02641, 502869.0], [172.03448, 151150.0], [183.02695, 176056.0], [184.03453, 206568.0], [187.02121, 240339.0], [199.02151, 245544.0], [200.02902, 385101.0], [201.03729, 198527.0], [211.03268, 88063.0], [215.01689, 538632.0], [217.03214, 259530.0], [218.98798, 87371.0], [219.02972, 94609.0], [230.99336, 108101.0], [232.03233, 244260.0], [233.00958, 88058.0], [247.02538, 224924.0], [248.03291, 127038.0], [261.98486, 132283.0], [262.99268, 185876.0], [264.00052, 186556.0], [278.98856, 208891.0], [293.00336, 81563.0], [293.99384, 84250.0], [294.96494, 87413.0], [296.99844, 481380.0], [298.0065, 151600.0], [311.01453, 119733.0], [313.01282, 181581.0], [327.99893, 299098.0], [341.00787, 2218540.0], [342.01566, 293721.0], [356.03104, 227870.0], [357.03922, 75786.0], [387.9765, 125383.0]]}, {"scannumber": "1625", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C4H8O4Cl3P", "inchikey": "NFACJZMKEDPNKN-VKHMYHEASA-N", "inchi": "", "smiles": "COP(=O)(C(C(Cl)(Cl)Cl)O)OC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"97.00512": "Theoretical m/z 97.004911, Mass diff 0 (2.15 ppm), SMILES O=P(O)OC, Annotation [CH5O3P+H]+, Rule of HR True", "112.99994": "Theoretical m/z 113.00037, Mass diff 0 (0 ppm), Formula CH6O4P", "127.01563": "Theoretical m/z 127.01547, Mass diff 0 (1.26 ppm), SMILES O=P(O)(OC)CO, Annotation [C2H7O4P+H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Trichlorfon", "retention_time": 2.242985, "precursor_mz": 256.9308, "collision_energy": "", "peaks_json": [[93.01007, 104589.0], [97.00512, 72293.0], [112.99994, 32292.0], [127.01563, 3150219.0]]}, {"scannumber": "2002", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C8H18NO4PS2", "inchikey": "LESVOLZBIFDZGS-ZETCQYMHSA-N", "inchi": "", "smiles": "CN=C(C(SCCSP(=O)(OC)OC)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"118.03215": "Theoretical m/z 118.032108, Mass diff 0 (0.36 ppm), SMILES OC(=NC)C(S)C, Annotation [C4H9NOS-H]+, Rule of HR True", "146.06366": "Theoretical m/z 146.063404, Mass diff 0 (1.75 ppm), SMILES OC(=NC)C(SCC)C, Annotation [C6H13NOS-H]+, Rule of HR True", "288.04907": "Theoretical m/z 288.04875, Mass diff 0 (1.11 ppm), SMILES O=P(OC)(OC)SCCSC(C(O)=NC)C, Annotation [C8H18NO4PS2+H]+, Rule of HR True"}, "num_peaks": "3", "compound_name": "Vamidothion", "retention_time": 2.914602, "precursor_mz": 288.0491, "collision_energy": "", "peaks_json": [[118.03215, 464396.0], [146.06366, 10321336.0], [288.04907, 1456244.0]]}, {"scannumber": "1209", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C7H14N2O4S", "inchikey": "YRRKLBAKDXSTNC-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(ON=CC(S(=O)(=O)C)(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"86.06018": "Theoretical m/z 86.060039, Mass diff 0 (1.64 ppm), SMILES ON=CC(C)C, Annotation [C4H9NO-H]+, Rule of HR True", "106.03234": "Theoretical m/z 106.03266, Mass diff 0 (0 ppm), Formula C3H8NOS", "120.04782": "Theoretical m/z 120.04831, Mass diff 0 (0 ppm), Formula C4H10NOS", "148.04301": "Theoretical m/z 148.042682, Mass diff 0 (2.21 ppm), SMILES O=S(=O)(C)C(C=N)(C)C, Annotation [C5H11NO2S-H]+, Rule of HR True", "166.05334": "Theoretical m/z 166.053236, Mass diff 0 (0.63 ppm), SMILES O=S(=O)(C)C(C=NO)(C)C, Annotation [C5H11NO3S+H]+, Rule of HR True", "223.07454": "Theoretical m/z 223.074705, Mass diff 0 (0.74 ppm), SMILES O=S(=O)(C)C(C=NOC(O)=NC)(C)C, Annotation [C7H14N2O4S+H]+, Rule of HR True"}, "num_peaks": "9", "compound_name": "Aldicarb sulfone", "retention_time": 1.483623, "precursor_mz": 223.075, "collision_energy": "", "peaks_json": [[86.06018, 763151.0], [106.03234, 330646.0], [120.04782, 16624.0], [148.03964, 11931.0], [148.04301, 1170924.0], [166.05334, 738329.0], [208.9567, 12192.0], [223.06381, 99297.0], [223.07454, 90546.0]]}, {"scannumber": "4766", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C20H30N2O5S", "inchikey": "FYZBOYWSHKHDMT-UHFFFAOYSA-N", "inchi": "", "smiles": "CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"90.03748": "Theoretical m/z 90.037197, Mass diff 0 (3.15 ppm), SMILES SNC(C)C, Annotation [C3H9NS-H]+, Rule of HR True", "102.00096": "Theoretical m/z 102.00136, Mass diff 0 (0 ppm), Formula C3H4NOS", "109.02874": "Theoretical m/z 109.028408, Mass diff 0 (3.05 ppm), SMILES OC=1C=CC=CC1O, Annotation [C6H6O2-H]+, Rule of HR True", "111.08049": "Theoretical m/z 111.08099, Mass diff 0 (0 ppm), Formula C7H11O", "112.07591": "Theoretical m/z 112.075693, Mass diff 0 (1.94 ppm), SMILES O=CCCNC(C)C, Annotation [C6H13NO-3H]+, Rule of HR True", "115.05431": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "116.07085": "Theoretical m/z 116.070606, Mass diff 0 (2.1 ppm), SMILES O=C(OCC)CCN, Annotation [C5H11NO2-H]+, Rule of HR True", "125.00558": "Theoretical m/z 125.006111, Mass diff 0 (0 ppm), Formula C6H5OS", "133.0649": "Theoretical m/z 133.064792, Mass diff 0 (0.81 ppm), SMILES O1C=2C=CC=CC2CC1C, Annotation [C9H10O-H]+, Rule of HR True", "137.05998": "Theoretical m/z 137.059706, Mass diff 0 (2 ppm), SMILES O=COC1=CC=CC(=C1)C, Annotation [C8H8O2+H]+, Rule of HR True", "143.04921": "Theoretical m/z 143.04969, Mass diff 0 (0 ppm), Formula C10H7O", "149.04198": "Theoretical m/z 149.042496, Mass diff 0 (0 ppm), Formula C9H9S", "153.0369": "Theoretical m/z 153.037411, Mass diff 0 (0 ppm), Formula C8H9OS", "158.11797": "Theoretical m/z 158.117557, Mass diff 0 (2.61 ppm), SMILES O=C(OCC)CCNC(C)C, Annotation [C8H17NO2-H]+, Rule of HR True", "161.06012": "Theoretical m/z 161.060255, Mass diff 0 (0 ppm), Formula C10H9O2", "162.0676": "Theoretical m/z 162.067526, Mass diff 0 (0.45 ppm), SMILES OC1=CC=CC2=C1OC(C)(C)C2, Annotation [C10H12O2-2H]+, Rule of HR False", "167.01654": "Theoretical m/z 167.016675, Mass diff 0 (0 ppm), Formula C8H7O2S", "167.05246": "Theoretical m/z 167.053061, Mass diff 0 (0 ppm), Formula C9H11OS", "171.0114": "Theoretical m/z 171.01159, Mass diff 0 (0 ppm), Formula C7H7O3S", "177.03709": "Theoretical m/z 177.037411, Mass diff 0 (0 ppm), Formula C10H9OS", "195.04765": "Theoretical m/z 195.047976, Mass diff 0 (0 ppm), Formula C10H11O2S"}, "num_peaks": "22", "compound_name": "Benfuracarb", "retention_time": 7.163228, "precursor_mz": 411.1956, "collision_energy": "", "peaks_json": [[90.03748, 30498.0], [102.00096, 69259.0], [109.02874, 31641.0], [111.08049, 29319.0], [112.07591, 44046.0], [115.05431, 43630.0], [116.07085, 30236.0], [125.00558, 53990.0], [133.0649, 58728.0], [137.05998, 23811.0], [143.04921, 51685.0], [144.05734, 107852.0], [149.04198, 61180.0], [153.0369, 175741.0], [158.11797, 70456.0], [161.06012, 99721.0], [162.0676, 971826.0], [167.01654, 45521.0], [167.05246, 131346.0], [171.0114, 23364.0], [177.03709, 172641.0], [195.04765, 2265269.0]]}, {"scannumber": "1209", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C7H14N2O4S", "inchikey": "CTJBHIROCMPUKL-HOITVRGQSA-N", "inchi": "", "smiles": "CN=C(ON=C(C(S(=O)(=O)C)C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"86.06018": "Theoretical m/z 86.060039, Mass diff 0 (1.64 ppm), SMILES ON=C(C)CC, Annotation [C4H9NO-H]+, Rule of HR True", "106.03234": "Theoretical m/z 106.03266, Mass diff 0 (0 ppm), Formula C3H8NOS", "120.04782": "Theoretical m/z 120.04831, Mass diff 0 (0 ppm), Formula C4H10NOS", "148.04301": "Theoretical m/z 148.042682, Mass diff 0 (2.21 ppm), SMILES O=S(=O)(C)C(C(=N)C)C, Annotation [C5H11NO2S-H]+, Rule of HR True", "166.05334": "Theoretical m/z 166.053236, Mass diff 0 (0.63 ppm), SMILES O=S(=O)(C)C(C(=NO)C)C, Annotation [C5H11NO3S+H]+, Rule of HR True", "223.07454": "Theoretical m/z 223.074705, Mass diff 0 (0.74 ppm), SMILES O=S(=O)(C)C(C(=NOC(O)=NC)C)C, Annotation [C7H14N2O4S+H]+, Rule of HR True"}, "num_peaks": "9", "compound_name": "Butoxycarboxim", "retention_time": 1.483623, "precursor_mz": 223.075, "collision_energy": "", "peaks_json": [[86.06018, 763151.0], [106.03234, 330646.0], [120.04782, 16624.0], [148.03964, 11931.0], [148.04301, 1170924.0], [166.05334, 738329.0], [208.9567, 12192.0], [223.06381, 99297.0], [223.07454, 90546.0]]}, {"scannumber": "4928", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C18H26N2O5S", "inchikey": "HAWJXYBZNNRMNO-UHFFFAOYSA-N", "inchi": "", "smiles": "CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"87.02665": "Theoretical m/z 87.026846, Mass diff 0 (0 ppm), Formula C4H7S", "90.03748": "Theoretical m/z 90.037745, Mass diff 0 (0 ppm), Formula C3H8NS", "91.05442": "Theoretical m/z 91.054226, Mass diff 0 (2.14 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "95.04954": "Theoretical m/z 95.049139, Mass diff 0 (4.22 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "97.01102": "Theoretical m/z 97.011196, Mass diff 0 (0 ppm), Formula C5H5S", "105.0702": "Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9", "107.04936": "Theoretical m/z 107.049144, Mass diff 0 (2.01 ppm), SMILES OC1=CC=CC(=C1)C, Annotation [C7H8O-H]+, Rule of HR True", "107.08593": "Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11", "109.02874": "Theoretical m/z 109.028408, Mass diff 0 (3.05 ppm), SMILES OC=1C=CC=CC1O, Annotation [C6H6O2-H]+, Rule of HR True", "109.0651": "Theoretical m/z 109.064794, Mass diff 0 (2.8 ppm), SMILES OC1=CC=CC(=C1)C, Annotation [C7H8O+H]+, Rule of HR True", "111.0808": "Theoretical m/z 111.08099, Mass diff 0 (0 ppm), Formula C7H11O", "115.05464": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "116.06246": "Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8", "117.07032": "Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9", "121.06524": "Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O", "122.03665": "Theoretical m/z 122.036233, Mass diff 0 (3.42 ppm), SMILES O=COC=1C=CC=CC1, Annotation [C7H6O2]+, Rule of HR False", "123.04434": "Theoretical m/z 123.044058, Mass diff 0 (2.29 ppm), SMILES O=COC=1C=CC=CC1, Annotation [C7H6O2+H]+, Rule of HR True", "125.00596": "Theoretical m/z 125.006111, Mass diff 0 (0 ppm), Formula C6H5OS", "131.04935": "Theoretical m/z 131.049142, Mass diff 0 (1.59 ppm), SMILES O1C=2C=CC=CC2CC1C, Annotation [C9H10O-3H]+, Rule of HR True", "133.0649": "Theoretical m/z 133.064792, Mass diff 0 (0.81 ppm), SMILES O1C=2C=CC=CC2CC1C, Annotation [C9H10O-H]+, Rule of HR True", "134.07285": "Theoretical m/z 134.072617, Mass diff 0 (1.74 ppm), SMILES O1C=2C=CC=CC2CC1C, Annotation [C9H10O]+, Rule of HR False", "135.08093": "Theoretical m/z 135.080442, Mass diff 0 (3.61 ppm), SMILES O1C=2C=CC=CC2CC1C, Annotation [C9H10O+H]+, Rule of HR True", "137.05998": "Theoretical m/z 137.059706, Mass diff 0 (2 ppm), SMILES O=COC1=CC=CC(=C1)C, Annotation [C8H8O2+H]+, Rule of HR True", "139.02167": "Theoretical m/z 139.021761, Mass diff 0 (0 ppm), Formula C7H7OS", "139.05775": "Theoretical m/z 139.058146, Mass diff 0 (0 ppm), Formula C8H11S", "143.04967": "Theoretical m/z 143.04969, Mass diff -0.001 (0 ppm), Formula C10H7O", "145.0649": "Theoretical m/z 145.064788, Mass diff 0 (0.77 ppm), SMILES OC1=CC=CC(=C1)CC(C)C, Annotation [C10H14O-5H]+, Rule of HR True", "146.07314": "Theoretical m/z 146.072623, Mass diff 0.001 (3.54 ppm), SMILES O1C=2C=CC=CC2CC1(C)C, Annotation [C10H12O-2H]+, Rule of HR False", "147.04451": "Theoretical m/z 147.044061, Mass diff 0 (3.05 ppm), SMILES OC1=CC=CC2=C1OC(C)C2, Annotation [C9H10O2-3H]+, Rule of HR True", "147.08089": "Theoretical m/z 147.080448, Mass diff 0 (3.01 ppm), SMILES O1C=2C=CC=CC2CC1(C)C, Annotation [C10H12O-H]+, Rule of HR True", "149.00584": "Theoretical m/z 149.006111, Mass diff 0 (0 ppm), Formula C8H5OS", "149.04247": "Theoretical m/z 149.042496, Mass diff -0.001 (0 ppm), Formula C9H9S", "149.06004": "Theoretical m/z 149.059711, Mass diff 0 (2.21 ppm), SMILES OC1=CC=CC2=C1OC(C)C2, Annotation [C9H10O2-H]+, Rule of HR True", "153.00082": "Theoretical m/z 153.001025, Mass diff 0 (0 ppm), Formula C7H5O2S", "153.0374": "Theoretical m/z 153.037411, Mass diff -0.001 (0 ppm), Formula C8H9OS", "161.06012": "Theoretical m/z 161.060255, Mass diff 0 (0 ppm), Formula C10H9O2", "162.0676": "Theoretical m/z 162.067526, Mass diff 0 (0.45 ppm), SMILES OC1=CC=CC2=C1OC(C)(C)C2, Annotation [C10H12O2-2H]+, Rule of HR False", "163.07562": "Theoretical m/z 163.075351, Mass diff 0 (1.65 ppm), SMILES OC1=CC=CC2=C1OC(C)(C)C2, Annotation [C10H12O2-H]+, Rule of HR True", "164.08348": "Theoretical m/z 164.083176, Mass diff 0 (1.85 ppm), SMILES OC1=CC=CC2=C1OC(C)(C)C2, Annotation [C10H12O2]+, Rule of HR False", "165.09103": "Theoretical m/z 165.091001, Mass diff 0 (0.17 ppm), SMILES OC1=CC=CC2=C1OC(C)(C)C2, Annotation [C10H12O2+H]+, Rule of HR True", "167.01654": "Theoretical m/z 167.016675, Mass diff 0 (0 ppm), Formula C8H7O2S", "167.05304": "Theoretical m/z 167.053061, Mass diff -0.001 (0 ppm), Formula C9H11OS", "171.0114": "Theoretical m/z 171.01159, Mass diff 0 (0 ppm), Formula C7H7O3S", "177.03709": "Theoretical m/z 177.037411, Mass diff 0 (0 ppm), Formula C10H9OS", "195.04765": "Theoretical m/z 195.047976, Mass diff 0 (0 ppm), Formula C10H11O2S"}, "num_peaks": "49", "compound_name": "Furathiocarb", "retention_time": 7.19165, "precursor_mz": 383.1642, "collision_energy": "", "peaks_json": [[87.02665, 170322.0], [90.03748, 426298.0], [91.05442, 232061.0], [95.04954, 175219.0], [97.01102, 504855.0], [105.0702, 848188.0], [107.04936, 404555.0], [107.08593, 329012.0], [109.02874, 370826.0], [109.0651, 289619.0], [111.0808, 200502.0], [115.05464, 651489.0], [116.06246, 367386.0], [117.07032, 300497.0], [118.07793, 135317.0], [121.06524, 216247.0], [122.03665, 593314.0], [123.04434, 862460.0], [125.00596, 4842440.0], [131.04935, 572523.0], [133.0649, 1461373.0], [134.01871, 277355.0], [134.07285, 254631.0], [135.08093, 991426.0], [137.05998, 186090.0], [139.02167, 356706.0], [139.05775, 475631.0], [143.04967, 427124.0], [144.05734, 1163702.0], [145.0649, 273080.0], [146.07314, 822073.0], [147.04451, 460929.0], [147.08089, 234097.0], [149.00584, 154496.0], [149.04247, 1446405.0], [149.06004, 3536863.0], [153.00082, 192002.0], [153.0374, 1282857.0], [161.06012, 1492726.0], [162.0676, 9461931.0], [163.07562, 216378.0], [164.08348, 6924294.0], [165.09103, 228313.0], [167.01654, 354658.0], [167.05304, 10929155.0], [171.0114, 128914.0], [177.03709, 3978125.0], [180.02414, 213051.0], [195.04765, 11849349.0]]}, {"scannumber": "3333", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H11N3OS", "inchikey": "RRVIAQKBTUQODI-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(N(c1nc2c(s1)cccc2)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "109.01102": "Theoretical m/z 109.010646, Mass diff 0 (3.43 ppm), SMILES SC=1C=CC=CC1, Annotation [C6H6S-H]+, Rule of HR True", "124.02193": "Theoretical m/z 124.021549, Mass diff 0 (3.07 ppm), SMILES SC=1C=CC=CC1N, Annotation [C6H7NS-H]+, Rule of HR True", "163.03316": "Theoretical m/z 163.032444, Mass diff 0.001 (4.39 ppm), SMILES N1=C(SC=2C=CC=CC12)NC, Annotation [C8H8N2S-H]+, Rule of HR True", "165.04836": "Theoretical m/z 165.048094, Mass diff 0 (1.61 ppm), SMILES N1=C(SC=2C=CC=CC12)NC, Annotation [C8H8N2S+H]+, Rule of HR True"}, "num_peaks": "8", "compound_name": "Methabenzthiazuron", "retention_time": 6.711947, "precursor_mz": 222.0702, "collision_energy": "", "peaks_json": [[92.0498, 456372.0], [109.01102, 367319.0], [123.01394, 375280.0], [124.02193, 2568680.0], [132.06825, 123566.0], [150.02492, 9399192.0], [163.03316, 152108.0], [165.04836, 9598566.0]]}, {"scannumber": "1984", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H16N4OS", "inchikey": "HBPDKDSFLXWOAE-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(N(c1nnc(s1)C(C)(C)C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"88.0219": "Theoretical m/z 88.021547, Mass diff 0 (4.01 ppm), SMILES SCN(C)C, Annotation [C3H9NS-3H]+, Rule of HR True", "89.01719": "Theoretical m/z 89.016796, Mass diff 0 (4.43 ppm), SMILES N=C(S)NC, Annotation [C2H6N2S-H]+, Rule of HR True", "101.04233": "Theoretical m/z 101.041948, Mass diff 0 (3.78 ppm), SMILES SCC(C)(C)C, Annotation [C5H12S-3H]+, Rule of HR True", "116.0279": "Theoretical m/z 116.027693, Mass diff 0 (1.79 ppm), SMILES N=1N=C(SC1)NC, Annotation [C3H5N3S+H]+, Rule of HR True", "141.04826": "Theoretical m/z 141.048099, Mass diff 0 (1.14 ppm), SMILES N=1N=C(SC1)C(C)(C)C, Annotation [C6H10N2S-H]+, Rule of HR True", "142.04346": "Theoretical m/z 142.043344, Mass diff 0 (0.82 ppm), SMILES N=CSCN(C=NC)C, Annotation [C5H11N3S-3H]+, Rule of HR True", "156.05936": "Theoretical m/z 156.058994, Mass diff 0 (2.35 ppm), SMILES N=1N=C(SC1N)C(C)(C)C, Annotation [C6H11N3S-H]+, Rule of HR True", "172.09081": "Theoretical m/z 172.0903, Mass diff 0.001 (2.97 ppm), SMILES N=1N=C(SC1NC)C(C)(C)C, Annotation [C7H13N3S+H]+, Rule of HR True"}, "num_peaks": "9", "compound_name": "Tebuthiuron", "retention_time": 4.241355, "precursor_mz": 229.1121, "collision_energy": "", "peaks_json": [[88.0219, 230604.0], [89.01719, 2030070.0], [101.04233, 435137.0], [116.0279, 20609154.0], [141.04826, 319289.0], [142.04346, 1851694.0], [156.05936, 1133851.0], [157.06721, 6762498.0], [172.09081, 12592908.0]]}, {"scannumber": "2185", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H8N4OS", "inchikey": "HFCYZXMHUIHAQI-UHFFFAOYSA-N", "inchi": "", "smiles": "OC(=Nc1ccccc1)Nc1cnns1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.04957": "Theoretical m/z 92.049472, Mass diff 0 (1.06 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "95.04929": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "102.0123": "Theoretical m/z 102.012045, Mass diff 0 (2.5 ppm), SMILES N1=NC=C(S1)N, Annotation [C2H3N3S+H]+, Rule of HR True", "105.04477": "Theoretical m/z 105.045273, Mass diff 0 (0 ppm), Formula C6H5N2", "120.04464": "Theoretical m/z 120.044391, Mass diff 0 (2.07 ppm), SMILES OC=NC=1C=CC=CC1, Annotation [C7H7NO-H]+, Rule of HR True", "127.99126": "Theoretical m/z 127.991302, Mass diff 0 (0.32 ppm), SMILES N=C(O)NC(SN)=C, Annotation [C3H7N3OS-5H]+, Rule of HR True"}, "num_peaks": "7", "compound_name": "Thidiazuron", "retention_time": 4.909884, "precursor_mz": 221.0497, "collision_energy": "", "peaks_json": [[92.04957, 154355.0], [94.0652, 188105.0], [95.04929, 172328.0], [102.0123, 2547264.0], [105.04477, 127605.0], [120.04464, 76344.0], [127.99126, 615346.0]]}, {"scannumber": "2307", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H15NO2S", "inchikey": "HEZNVIYQEUHLNI-UHFFFAOYSA-N", "inchi": "", "smiles": "CCSCc1ccccc1OC(=NC)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"95.04929": "Theoretical m/z 95.049139, Mass diff 0 (1.59 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "107.04936": "Theoretical m/z 107.049144, Mass diff 0 (2.01 ppm), SMILES OC=1C=CC=CC1C, Annotation [C7H8O-H]+, Rule of HR True", "120.08101": "Theoretical m/z 120.081324, Mass diff 0 (0 ppm), Formula C8H10N", "134.0966": "Theoretical m/z 134.096974, Mass diff 0 (0 ppm), Formula C9H12N"}, "num_peaks": "6", "compound_name": "Ethiofencarb", "retention_time": 5.074083, "precursor_mz": 226.09, "collision_energy": "", "peaks_json": [[95.04929, 42106.0], [105.04477, 32913.0], [107.04936, 243964.0], [120.08101, 4266.0], [134.0966, 5759.0], [147.93529, 2678.0]]}, {"scannumber": "2724", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H15NO2S", "inchikey": "YFBPRJGDJKVWAH-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1cc(C)c(c(c1)C)SC)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"121.06488": "Theoretical m/z 121.064792, Mass diff 0 (0.72 ppm), SMILES OC=1C=C(C=C(C1)C)C, Annotation [C8H10O-H]+, Rule of HR True", "122.07284": "Theoretical m/z 122.072617, Mass diff 0 (1.82 ppm), SMILES OC=1C=C(C=C(C1)C)C, Annotation [C8H10O]+, Rule of HR False", "169.06853": "Theoretical m/z 169.068159, Mass diff 0 (2.19 ppm), SMILES OC=1C=C(C(SC)=C(C1)C)C, Annotation [C9H12OS+H]+, Rule of HR True", "226.08951": "Theoretical m/z 226.089628, Mass diff 0 (0.52 ppm), SMILES OC(=NC)OC=1C=C(C(SC)=C(C1)C)C, Annotation [C11H15NO2S+H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Methiocarb", "retention_time": 6.352629, "precursor_mz": 226.0899, "collision_energy": "", "peaks_json": [[121.06488, 799606.0], [122.07284, 96691.0], [169.06853, 4882474.0], [226.08951, 145633.0]]}, {"scannumber": "1753", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H15NO3", "inchikey": "DUEPRVBVGDRKAG-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1cccc2c1OC(C2)(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05442": "Theoretical m/z 91.054226, Mass diff 0 (2.14 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "95.04929": "Theoretical m/z 95.049139, Mass diff 0 (1.59 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "105.03379": "Theoretical m/z 105.033494, Mass diff 0 (2.82 ppm), SMILES OC1=CC=CC(=C1)C, Annotation [C7H8O-3H]+, Rule of HR True", "111.04436": "Theoretical m/z 111.044058, Mass diff 0 (2.72 ppm), SMILES OC=1C=CC=CC1O, Annotation [C6H6O2+H]+, Rule of HR True", "119.04944": "Theoretical m/z 119.049142, Mass diff 0 (2.5 ppm), SMILES O(C1=CC=CC(=C1)C)C, Annotation [C8H10O-3H]+, Rule of HR True", "119.0857": "Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11", "123.04434": "Theoretical m/z 123.044056, Mass diff 0 (2.31 ppm), SMILES OCOC=1C=CC=CC1, Annotation [C7H8O2-H]+, Rule of HR True", "137.05997": "Theoretical m/z 137.059711, Mass diff 0 (1.89 ppm), SMILES OCOC1=CC=CC(=C1)C, Annotation [C8H10O2-H]+, Rule of HR True", "147.08089": "Theoretical m/z 147.080448, Mass diff 0 (3.01 ppm), SMILES O1C=2C=CC=CC2CC1(C)C, Annotation [C10H12O-H]+, Rule of HR True"}, "num_peaks": "10", "compound_name": "Carbofuran", "retention_time": 4.14677, "precursor_mz": 222.1128, "collision_energy": "", "peaks_json": [[91.05442, 804154.0], [95.04929, 737907.0], [105.03379, 225770.0], [105.04506, 153330.0], [111.04436, 105844.0], [119.04944, 164758.0], [119.0857, 227890.0], [123.04434, 10121862.0], [137.05997, 448261.0], [147.08089, 104307.0]]}, {"scannumber": "4866", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H15N2O2Cl", "inchikey": "IVUXTESCPZUGJC-UHFFFAOYSA-N", "inchi": "", "smiles": "Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"94.04169": "Theoretical m/z 94.041314, Mass diff 0 (4 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O]+, Rule of HR False", "98.99973": "Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl", "106.06546": "Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N", "118.06519": "Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N", "119.07315": "Theoretical m/z 119.073499, Mass diff 0 (0 ppm), Formula C8H9N", "120.081": "Theoretical m/z 120.081324, Mass diff 0 (0 ppm), Formula C8H10N", "126.99488": "Theoretical m/z 126.994526, Mass diff 0 (2.79 ppm), SMILES ClC1=CC=C(O)C=C1, Annotation [C6H5ClO-H]+, Rule of HR True", "128.06239": "Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8", "129.01042": "Theoretical m/z 129.010176, Mass diff 0 (1.89 ppm), SMILES ClC1=CC=C(O)C=C1, Annotation [C6H5ClO+H]+, Rule of HR True", "139.00583": "Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2", "145.0649": "Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O", "146.06033": "Theoretical m/z 146.060589, Mass diff 0 (0 ppm), Formula C9H8NO", "147.06796": "Theoretical m/z 147.068414, Mass diff 0 (0 ppm), Formula C9H9NO", "149.01559": "Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl", "154.06534": "Theoretical m/z 154.065674, Mass diff 0 (0 ppm), Formula C11H8N", "155.06065": "Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2", "155.07309": "Theoretical m/z 155.073499, Mass diff 0 (0 ppm), Formula C11H9N", "163.03091": "Theoretical m/z 163.031453, Mass diff 0 (0 ppm), Formula C10H8Cl", "163.08679": "Theoretical m/z 163.086582, Mass diff 0 (1.28 ppm), SMILES O=C(NC=1C=CC=CC1)N(C)C, Annotation [C9H12N2O-H]+, Rule of HR True", "175.03131": "Theoretical m/z 175.031453, Mass diff 0 (0 ppm), Formula C11H8Cl", "182.05989": "Theoretical m/z 182.060037, Mass diff 0 (0.81 ppm), SMILES O(C=1C=CC=CC1)C2=CC=C(N)C=C2, Annotation [C12H11NO-3H]+, Rule of HR True", "183.06813": "Theoretical m/z 183.067862, Mass diff 0 (1.46 ppm), SMILES O(C=1C=CC=CC1)C2=CC=C(N)C=C2, Annotation [C12H11NO-2H]+, Rule of HR False", "190.04181": "Theoretical m/z 190.042352, Mass diff 0 (0 ppm), Formula C11H9ClN", "191.02574": "Theoretical m/z 191.026368, Mass diff 0 (0 ppm), Formula C11H8ClO", "211.06313": "Theoretical m/z 211.062781, Mass diff 0 (1.65 ppm), SMILES O=CNC1=CC=C(OC=2C=CC=CC2)C=C1, Annotation [C13H11NO2-2H]+, Rule of HR False", "218.03699": "Theoretical m/z 218.036716, Mass diff 0 (1.26 ppm), SMILES ClC1=CC=C(OC2=CC=C(N)C=C2)C=C1, Annotation [C12H10ClNO-H]+, Rule of HR True", "219.04449": "Theoretical m/z 219.044541, Mass diff 0 (0.23 ppm), SMILES ClC1=CC=C(OC2=CC=C(N)C=C2)C=C1, Annotation [C12H10ClNO]+, Rule of HR False", "246.03224": "Theoretical m/z 246.031635, Mass diff 0.001 (2.46 ppm), SMILES O=CNC1=CC=C(OC2=CC=C(Cl)C=C2)C=C1, Annotation [C13H10ClNO2-H]+, Rule of HR True"}, "num_peaks": "34", "compound_name": "Chloroxuron", "retention_time": 6.824893, "precursor_mz": 291.09, "collision_energy": "", "peaks_json": [[94.04169, 27706.0], [98.99973, 58512.0], [106.06546, 243512.0], [118.06519, 562204.0], [119.07315, 45536.0], [120.081, 78773.0], [126.99488, 83528.0], [128.06239, 310868.0], [129.01042, 87060.0], [139.00583, 288886.0], [145.0649, 99810.0], [146.06033, 24021.0], [147.06796, 35662.0], [149.01559, 36207.0], [152.00261, 21619.0], [154.06534, 101982.0], [155.06065, 198243.0], [155.07309, 108829.0], [163.03091, 1196885.0], [163.08679, 138657.0], [164.09476, 19883.0], [168.05711, 61850.0], [173.50755, 33783.0], [175.03131, 42262.0], [182.05989, 34322.0], [183.06813, 160230.0], [190.04181, 279261.0], [191.02574, 49125.0], [211.06313, 28451.0], [218.03699, 1977628.0], [219.04449, 20961.0], [233.15379, 75598.0], [246.03224, 40845.0], [249.18484, 96150.0]]}, {"scannumber": "2586", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H13N2OCl", "inchikey": "JXCGFZXSOMJFOA-UHFFFAOYSA-N", "inchi": "", "smiles": "OC(=Nc1ccc(c(c1)Cl)C)N(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03883": "Theoretical m/z 89.038575, Mass diff 0 (2.86 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-3H]+, Rule of HR True", "95.04929": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "96.04461": "Theoretical m/z 96.044939, Mass diff 0 (0 ppm), Formula C5H6NO", "98.99973": "Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl", "104.04956": "Theoretical m/z 104.049478, Mass diff 0 (0.79 ppm), SMILES NC1=CC=C(C=C1)C, Annotation [C7H9N-3H]+, Rule of HR True", "105.04477": "Theoretical m/z 105.045273, Mass diff 0 (0 ppm), Formula C6H5N2", "105.05748": "Theoretical m/z 105.057303, Mass diff 0 (1.69 ppm), SMILES NC1=CC=C(C=C1)C, Annotation [C7H9N-2H]+, Rule of HR False", "113.01541": "Theoretical m/z 113.015257, Mass diff 0 (1.36 ppm), SMILES ClC=1C=CC=CC1, Annotation [C6H5Cl+H]+, Rule of HR True", "125.01533": "Theoretical m/z 125.015255, Mass diff 0 (0.6 ppm), SMILES ClC=1C=CC=CC1C, Annotation [C7H7Cl-H]+, Rule of HR True", "132.04463": "Theoretical m/z 132.044397, Mass diff 0 (1.77 ppm), SMILES OC=NC1=CC=C(C=C1)C, Annotation [C8H9NO-3H]+, Rule of HR True", "133.05254": "Theoretical m/z 133.052222, Mass diff 0 (2.39 ppm), SMILES OC=NC1=CC=C(C=C1)C, Annotation [C8H9NO-2H]+, Rule of HR False", "140.02612": "Theoretical m/z 140.026157, Mass diff 0 (0.26 ppm), SMILES ClC1=CC(N)=CC=C1C, Annotation [C7H8ClN-H]+, Rule of HR True", "153.02165": "Theoretical m/z 153.021951, Mass diff 0 (0 ppm), Formula C7H6ClN2", "168.02145": "Theoretical m/z 168.021076, Mass diff 0 (2.23 ppm), SMILES ClC1=CC(N=CO)=CC=C1C, Annotation [C8H8ClNO-H]+, Rule of HR True"}, "num_peaks": "14", "compound_name": "Chlortoluron", "retention_time": 5.193264, "precursor_mz": 213.0795, "collision_energy": "", "peaks_json": [[89.03883, 57032.0], [95.04929, 125786.0], [96.04461, 17062.0], [98.99973, 31149.0], [104.04956, 355337.0], [105.04477, 72262.0], [105.05748, 49060.0], [113.01541, 282031.0], [125.01533, 380427.0], [132.04463, 44913.0], [133.05254, 86668.0], [140.02612, 1662428.0], [153.02165, 91587.0], [168.02145, 83345.0]]}, {"scannumber": "2273", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H22N2O", "inchikey": "DQZCVNGCTZLGAQ-UHFFFAOYSA-N", "inchi": "", "smiles": "CN(C(=NC1CCCCCCC1)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.07108": "Theoretical m/z 89.070936, Mass diff 0 (1.62 ppm), SMILES N=C(O)N(C)C, Annotation [C3H8N2O+H]+, Rule of HR True", "111.11694": "Theoretical m/z 111.116825, Mass diff 0 (1.04 ppm), SMILES C1CCCCCCC1, Annotation [C8H16-H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Cycluron", "retention_time": 5.00998, "precursor_mz": 199.1809, "collision_energy": "", "peaks_json": [[89.07108, 1303776.0], [111.11694, 18709.0], [147.92079, 14411.0], [147.93768, 15209.0]]}, {"scannumber": "3582", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H21NO4", "inchikey": "LNJNFVJKDJYTEU-UHFFFAOYSA-N", "inchi": "", "smiles": "CCOc1cc(ccc1OCC)N=C(OC(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"152.07103": "Theoretical m/z 152.070606, Mass diff 0 (2.79 ppm), SMILES OC1=CC(N)=CC=C1OCC, Annotation [C8H11NO2-H]+, Rule of HR True", "180.06563": "Theoretical m/z 180.065525, Mass diff 0 (0.58 ppm), SMILES OC(O)=NC1=CC=C(OCC)C=C1, Annotation [C9H11NO3-H]+, Rule of HR True", "180.10194": "Theoretical m/z 180.101911, Mass diff 0 (0.16 ppm), SMILES OC(=NC=1C=CC=CC1)OC(C)C, Annotation [C10H13NO2+H]+, Rule of HR True", "198.0762": "Theoretical m/z 198.076078, Mass diff 0 (0.61 ppm), SMILES OC(O)=NC1=CC=C(OCC)C(O)=C1, Annotation [C9H11NO4+H]+, Rule of HR True", "208.09682": "Theoretical m/z 208.09682, Mass diff 0 (0 ppm), SMILES OC=NC1=CC=C(OCC)C(OCC)=C1, Annotation [C11H15NO3-H]+, Rule of HR True", "226.10776": "Theoretical m/z 226.107389, Mass diff 0 (1.64 ppm), SMILES OC(O)=NC1=CC=C(OCC)C(OCC)=C1, Annotation [C11H15NO4+H]+, Rule of HR True", "268.15411": "Theoretical m/z 268.154341, Mass diff 0 (0.86 ppm), SMILES OC(=NC1=CC=C(OCC)C(OCC)=C1)OC(C)C, Annotation [C14H21NO4+H]+, Rule of HR True"}, "num_peaks": "7", "compound_name": "Diethofencarb", "retention_time": 6.124817, "precursor_mz": 268.1547, "collision_energy": "", "peaks_json": [[152.07103, 98482.0], [180.06563, 117586.0], [180.10194, 441784.0], [198.0762, 507187.0], [208.09682, 172166.0], [226.10776, 6612320.0], [268.15411, 115526.0]]}, {"scannumber": "5619", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H9N2O2ClF2", "inchikey": "QQQYTWIFVNKMRW-UHFFFAOYSA-N", "inchi": "", "smiles": "O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"141.01498": "Theoretical m/z 141.015196, Mass diff 0 (0 ppm), Formula C7H3F2O", "158.04167": "Theoretical m/z 158.041197, Mass diff 0 (2.99 ppm), SMILES FC1=CC=CC(F)=C1C(=N)O, Annotation [C7H5F2NO+H]+, Rule of HR True", "311.03952": "Theoretical m/z 311.03935, Mass diff 0 (0.55 ppm), SMILES O=C(N=C(O)C=1C(F)=CC=CC1F)NC2=CC=C(Cl)C=C2, Annotation [C14H9ClF2N2O2+H]+, Rule of HR True"}, "num_peaks": "3", "compound_name": "Diflubenzuron", "retention_time": 6.959446, "precursor_mz": 311.0396, "collision_energy": "", "peaks_json": [[141.01498, 340685.0], [158.04167, 9035608.0], [311.03952, 2283440.0]]}, {"scannumber": "3192", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H10N2OCl2", "inchikey": "XMTQQYYKAHVGBJ-UHFFFAOYSA-N", "inchi": "", "smiles": "OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"123.99487": "Theoretical m/z 123.994851, Mass diff 0 (0.15 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN-3H]+, Rule of HR True", "125.00295": "Theoretical m/z 125.002676, Mass diff 0 (2.19 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN-2H]+, Rule of HR False", "132.96072": "Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2", "159.97182": "Theoretical m/z 159.971531, Mass diff 0 (1.81 ppm), SMILES ClC1=CC=C(N)C=C1Cl, Annotation [C6H5Cl2N-H]+, Rule of HR True", "172.96721": "Theoretical m/z 172.967328, Mass diff 0 (0 ppm), Formula C6H3Cl2N2", "187.96654": "Theoretical m/z 187.966449, Mass diff 0 (0.48 ppm), SMILES ClC1=CC=C(N=CO)C=C1Cl, Annotation [C7H5Cl2NO-H]+, Rule of HR True"}, "num_peaks": "8", "compound_name": "Diuron", "retention_time": 5.711479, "precursor_mz": 233.0248, "collision_energy": "", "peaks_json": [[123.99487, 30141.0], [125.00295, 82231.0], [132.96072, 233186.0], [151.03258, 25890.0], [152.99777, 66942.0], [159.97182, 940217.0], [172.96721, 73012.0], [187.96654, 38425.0]]}, {"scannumber": "1320", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H13NO4", "inchikey": "SDKQRNRRDYRQKY-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1ccccc1C1OCCO1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"95.04929": "Theoretical m/z 95.049139, Mass diff 0 (1.59 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "123.04434": "Theoretical m/z 123.044056, Mass diff 0 (2.31 ppm), SMILES OC=1C=CC=CC1CO, Annotation [C7H8O2-H]+, Rule of HR True", "162.05486": "Theoretical m/z 162.054956, Mass diff 0 (0.59 ppm), SMILES OC(=NC)OC=1C=CC=CC1C, Annotation [C9H11NO2-3H]+, Rule of HR True", "167.07042": "Theoretical m/z 167.070265, Mass diff 0 (0.93 ppm), SMILES OC=1C=CC=CC1C2OCCO2, Annotation [C9H10O3+H]+, Rule of HR True"}, "num_peaks": "6", "compound_name": "Dioxacarb", "retention_time": 2.808769, "precursor_mz": 224.092, "collision_energy": "", "peaks_json": [[95.04929, 26554.0], [123.04434, 805609.0], [162.05486, 264649.0], [167.07042, 1519113.0], [208.95668, 21966.0], [224.12801, 18664.0]]}, {"scannumber": "1667", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H13NO4", "inchikey": "XEGGRYVFLWGFHI-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1cccc2c1OC(O2)(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"109.02843": "Theoretical m/z 109.028408, Mass diff 0 (0.2 ppm), SMILES OC1=CC=CC(O)=C1, Annotation [C6H6O2-H]+, Rule of HR True", "167.07042": "Theoretical m/z 167.070265, Mass diff 0 (0.93 ppm), SMILES OC1=CC=CC=2OC(OC12)(C)C, Annotation [C9H10O3+H]+, Rule of HR True", "224.092": "Theoretical m/z 224.091734, Mass diff 0 (1.19 ppm), SMILES OC(=NC)OC1=CC=CC=2OC(OC12)(C)C, Annotation [C11H13NO4+H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Bendiocarb", "retention_time": 4.036841, "precursor_mz": 224.092, "collision_energy": "", "peaks_json": [[109.02843, 576717.0], [167.07042, 2075283.0], [224.092, 50305.0], [224.12801, 22894.0]]}, {"scannumber": "2735", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H17NO2", "inchikey": "DIRFUJHNVNOBMY-VIFPVBQESA-N", "inchi": "", "smiles": "CCC(c1ccccc1OC(=NC)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"95.04929": "Theoretical m/z 95.049139, Mass diff 0 (1.59 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "151.1118": "Theoretical m/z 151.111738, Mass diff 0 (0.41 ppm), SMILES OC=1C=CC=CC1C(C)CC, Annotation [C10H14O+H]+, Rule of HR True", "152.07103": "Theoretical m/z 152.0706, Mass diff 0 (2.82 ppm), SMILES OC(=NC)OC=1C=CC=CC1, Annotation [C8H9NO2+H]+, Rule of HR True", "208.13309": "Theoretical m/z 208.133207, Mass diff 0 (0.56 ppm), SMILES OC(=NC)OC=1C=CC=CC1C(C)CC, Annotation [C12H17NO2+H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Fenobucarb", "retention_time": 5.279047, "precursor_mz": 208.1339, "collision_energy": "", "peaks_json": [[95.04929, 2304002.0], [151.1118, 339052.0], [152.07103, 1283617.0], [208.13309, 261671.0], [208.15242, 67196.0]]}, {"scannumber": "7794", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C21H11N2O3ClF6", "inchikey": "RYLHNOVXKPXDIP-UHFFFAOYSA-N", "inchi": "", "smiles": "OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"140.03102": "Theoretical m/z 140.030628, Mass diff 0 (2.8 ppm), SMILES FC1=CC=CC(F)=C1C=N, Annotation [C7H5F2N-H]+, Rule of HR True", "141.01498": "Theoretical m/z 141.015196, Mass diff 0 (0 ppm), Formula C7H3F2O", "158.04167": "Theoretical m/z 158.041197, Mass diff 0 (2.99 ppm), SMILES FC1=CC=CC(F)=C1C(=N)O, Annotation [C7H5F2NO+H]+, Rule of HR True", "306.03055": "Theoretical m/z 306.030348, Mass diff 0 (0.66 ppm), SMILES FC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1N, Annotation [C13H8ClF4NO+H]+, Rule of HR True"}, "num_peaks": "9", "compound_name": "Flufenoxuron", "retention_time": 7.258582, "precursor_mz": 489.044, "collision_energy": "", "peaks_json": [[140.03102, 198040.0], [141.01498, 8731300.0], [141.02489, 125031.0], [158.04167, 5469943.0], [306.03055, 226666.0], [326.76685, 460767.0], [328.76389, 301405.0], [407.68225, 401379.0], [409.68002, 103253.0]]}, {"scannumber": "1879", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H11N2OF3", "inchikey": "RZILCCPWPBTYDO-UHFFFAOYSA-N", "inchi": "", "smiles": "OC(=Nc1cccc(c1)C(F)(F)F)N(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"133.02617": "Theoretical m/z 133.02651, Mass diff 0 (0 ppm), Formula C6H4F3", "140.03056": "Theoretical m/z 140.030633, Mass diff 0 (0.52 ppm), SMILES FC(F)C=1C=CC=C(N)C1, Annotation [C7H7F2N-3H]+, Rule of HR True", "141.02579": "Theoretical m/z 141.02643, Mass diff 0 (0 ppm), Formula C6H3F2N2", "145.02599": "Theoretical m/z 145.025959, Mass diff 0 (0.22 ppm), SMILES FC(F)(F)C=1C=CC=CC1, Annotation [C7H5F3-H]+, Rule of HR True", "160.037": "Theoretical m/z 160.036853, Mass diff 0 (0.92 ppm), SMILES FC(F)(F)C=1C=CC=C(N)C1, Annotation [C7H6F3N-H]+, Rule of HR True", "163.0365": "Theoretical m/z 163.037074, Mass diff 0 (0 ppm), Formula C7H6F3O", "168.02554": "Theoretical m/z 168.025552, Mass diff 0 (0.07 ppm), SMILES FC(F)C=1C=CC=C(N=CO)C1, Annotation [C8H7F2NO-3H]+, Rule of HR True", "173.03194": "Theoretical m/z 173.032658, Mass diff 0 (0 ppm), Formula C7H4F3N2", "178.04784": "Theoretical m/z 178.047974, Mass diff 0 (0 ppm), Formula C7H7F3NO", "188.03226": "Theoretical m/z 188.031772, Mass diff 0 (2.59 ppm), SMILES FC(F)(F)C=1C=CC=C(N=CO)C1, Annotation [C8H6F3NO-H]+, Rule of HR True", "192.06305": "Theoretical m/z 192.063624, Mass diff 0 (0 ppm), Formula C8H9F3NO"}, "num_peaks": "14", "compound_name": "Fluometuron", "retention_time": 4.295248, "precursor_mz": 233.0903, "collision_energy": "", "peaks_json": [[133.02617, 72647.0], [140.03056, 412576.0], [141.02579, 30382.0], [145.02599, 1001995.0], [148.03093, 43335.0], [160.03375, 16242.0], [160.037, 1435798.0], [163.0365, 19807.0], [168.02554, 576288.0], [173.03194, 272722.0], [173.50755, 34131.0], [178.04784, 113811.0], [188.03226, 109696.0], [192.06305, 82452.0]]}, {"scannumber": "3521", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H10N3OCl", "inchikey": "GPXLRLUVLMHHIK-UHFFFAOYSA-N", "inchi": "", "smiles": "OC(=Nc1ccccc1)Nc1ccnc(c1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"93.04498": "Theoretical m/z 93.044727, Mass diff 0 (2.72 ppm), SMILES N=1C=CC(N)=CC1, Annotation [C5H6N2-H]+, Rule of HR True", "94.06544": "Theoretical m/z 94.065123, Mass diff 0 (3.38 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N+H]+, Rule of HR True", "111.05567": "Theoretical m/z 111.055838, Mass diff 0 (0 ppm), Formula C5H7N2O", "129.02182": "Theoretical m/z 129.021406, Mass diff 0 (3.21 ppm), SMILES ClC1=NC=CC(N)=C1, Annotation [C5H5ClN2+H]+, Rule of HR True", "155.00107": "Theoretical m/z 155.001215, Mass diff 0 (0 ppm), Formula C6H4ClN2O"}, "num_peaks": "6", "compound_name": "Forchlorfenuron", "retention_time": 6.068144, "precursor_mz": 248.0593, "collision_energy": "", "peaks_json": [[93.04498, 1144138.0], [94.06544, 222850.0], [111.05567, 15214406.0], [129.02182, 20609304.0], [137.03458, 1954463.0], [155.00107, 2962225.0]]}, {"scannumber": "1109", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H15NO4", "inchikey": "RHSUJRQZTQNSLL-JTQLQIEISA-N", "inchi": "", "smiles": "CN=C(Oc1cccc2c1OC(C2O)(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"135.08051": "Theoretical m/z 135.080448, Mass diff 0 (0.46 ppm), SMILES O(C=1C=CC=CC1)C(C)C, Annotation [C9H12O-H]+, Rule of HR True", "163.07562": "Theoretical m/z 163.075351, Mass diff 0 (1.65 ppm), SMILES OC1C=2C=CC=CC2OC1(C)C, Annotation [C10H12O2-H]+, Rule of HR True", "181.08611": "Theoretical m/z 181.08592, Mass diff 0 (1.05 ppm), SMILES OC1=CC=CC2=C1OC(C)(C)C2O, Annotation [C10H12O3+H]+, Rule of HR True", "207.06541": "Theoretical m/z 207.065734, Mass diff 0 (0 ppm), Formula C11H11O4", "220.09669": "Theoretical m/z 220.09682, Mass diff 0 (0.59 ppm), SMILES OC(=NC)OC1=CC=CC2=C1OC(C)(C)C2, Annotation [C12H15NO3-H]+, Rule of HR True", "238.10802": "Theoretical m/z 238.107389, Mass diff 0.001 (2.65 ppm), SMILES OC(=NC)OC1=CC=CC2=C1OC(C)(C)C2O, Annotation [C12H15NO4+H]+, Rule of HR True"}, "num_peaks": "7", "compound_name": "3-Hydroxycarbofuran", "retention_time": 2.534817, "precursor_mz": 238.1075, "collision_energy": "", "peaks_json": [[135.08051, 61121.0], [163.07562, 1270756.0], [181.08611, 3459316.0], [207.06541, 67306.0], [208.95668, 38515.0], [220.09669, 446913.0], [238.10802, 398788.0]]}, {"scannumber": "7519", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C22H17N3O7ClF3", "inchikey": "VBCVPMMZEGZULK-NRFANRHFSA-N", "inchi": "", "smiles": "COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"104.04956": "Theoretical m/z 104.050024, Mass diff 0 (0 ppm), Formula C7H6N", "127.04175": "Theoretical m/z 127.042199, Mass diff 0 (0 ppm), Formula C9H5N", "128.06201": "Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8", "132.04463": "Theoretical m/z 132.044939, Mass diff 0 (0 ppm), Formula C8H6NO", "134.0237": "Theoretical m/z 134.024203, Mass diff 0 (0 ppm), Formula C7H4NO2", "137.0152": "Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl", "142.06526": "Theoretical m/z 142.065674, Mass diff 0 (0 ppm), Formula C10H8N", "149.01559": "Theoretical m/z 149.015252, Mass diff 0 (2.27 ppm), SMILES ClC1=CC=C2C(=C1)CCC2, Annotation [C9H9Cl-3H]+, Rule of HR True", "150.0106": "Theoretical m/z 150.011052, Mass diff 0 (0 ppm), Formula C8H5ClN", "155.06065": "Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2", "160.05058": "Theoretical m/z 160.051087, Mass diff 0 (0 ppm), Formula C8H6N3O", "162.01057": "Theoretical m/z 162.010507, Mass diff 0 (0.39 ppm), SMILES ClC1=CC=C2C(=N)CCC2=C1, Annotation [C9H8ClN-3H]+, Rule of HR True", "163.01862": "Theoretical m/z 163.018332, Mass diff 0 (1.77 ppm), SMILES ClC1=CC=C2C(=N)CCC2=C1, Annotation [C9H8ClN-2H]+, Rule of HR False", "163.03091": "Theoretical m/z 163.031453, Mass diff 0 (0 ppm), Formula C10H8Cl", "164.02652": "Theoretical m/z 164.026157, Mass diff 0 (2.21 ppm), SMILES ClC1=CC=C2C(=N)CCC2=C1, Annotation [C9H8ClN-H]+, Rule of HR True", "165.03412": "Theoretical m/z 165.033982, Mass diff 0 (0.84 ppm), SMILES ClC1=CC=C2C(=N)CCC2=C1, Annotation [C9H8ClN]+, Rule of HR False", "167.0258": "Theoretical m/z 167.025821, Mass diff 0 (0.13 ppm), SMILES ClC1=CC=C2C(=C1)CC(O)C2, Annotation [C9H9ClO-H]+, Rule of HR True", "168.02145": "Theoretical m/z 168.022072, Mass diff 0 (0 ppm), Formula C3H4F2N3O3", "174.99464": "Theoretical m/z 174.994521, Mass diff 0 (0.68 ppm), SMILES O=CC1CC2=CC=C(Cl)C=C2C1, Annotation [C10H9ClO-5H]+, Rule of HR True", "177.01054": "Theoretical m/z 177.010171, Mass diff 0 (2.08 ppm), SMILES O=CC1CC2=CC=C(Cl)C=C2C1, Annotation [C10H9ClO-3H]+, Rule of HR True", "177.03394": "Theoretical m/z 177.03404, Mass diff 0 (0 ppm), Formula C13H5O", "179.02611": "Theoretical m/z 179.025821, Mass diff 0 (1.61 ppm), SMILES O=CC1CC2=CC=C(Cl)C=C2C1, Annotation [C10H9ClO-H]+, Rule of HR True", "180.02089": "Theoretical m/z 180.021076, Mass diff 0 (1.03 ppm), SMILES ClC1=CC=C2C(=N)C(O)CC2=C1, Annotation [C9H8ClNO-H]+, Rule of HR True", "182.03682": "Theoretical m/z 182.036726, Mass diff 0 (0.52 ppm), SMILES ClC1=CC=C2C(=N)C(O)CC2=C1, Annotation [C9H8ClNO+H]+, Rule of HR True", "189.02151": "Theoretical m/z 189.021951, Mass diff 0 (0 ppm), Formula C10H6ClN2", "190.00526": "Theoretical m/z 190.005416, Mass diff 0 (0.82 ppm), SMILES ClC1=CC=C2C(=N)C(OC)CC2=C1, Annotation [C10H10ClNO-5H]+, Rule of HR True", "190.04744": "Theoretical m/z 190.047738, Mass diff 0 (0 ppm), Formula C7H10O6", "194.03688": "Theoretical m/z 194.036716, Mass diff 0 (0.84 ppm), SMILES ClC1=CC=C2C(=N)C(OC)CC2=C1, Annotation [C10H10ClNO-H]+, Rule of HR True", "195.02061": "Theoretical m/z 195.02074, Mass diff 0 (0.67 ppm), SMILES O=CC1(O)CC2=CC=C(Cl)C=C2C1, Annotation [C10H9ClO2-H]+, Rule of HR True", "203.01863": "Theoretical m/z 203.018866, Mass diff 0 (1.16 ppm), SMILES O=CNC1=CC=C(OC(F)(F)F)C=C1, Annotation [C8H6F3NO2-2H]+, Rule of HR False", "204.00897": "Theoretical m/z 204.008496, Mass diff 0 (2.33 ppm), SMILES ClC=1C=CC=2C3=NNCOC3CC2C1, Annotation [C10H9ClN2O-4H]+, Rule of HR False", "207.02065": "Theoretical m/z 207.02073, Mass diff 0 (0.39 ppm), SMILES O=C(OC)C1CC2=CC=C(Cl)C=C2C1, Annotation [C11H11ClO2-3H]+, Rule of HR True", "208.01628": "Theoretical m/z 208.015979, Mass diff 0 (1.44 ppm), SMILES O=CC1(O)C(=N)C2=CC=C(Cl)C=C2C1, Annotation [C10H8ClNO2-H]+, Rule of HR True", "215.04312": "Theoretical m/z 215.043474, Mass diff 0 (0 ppm), Formula C5H12ClN2O5", "217.01668": "Theoretical m/z 217.016865, Mass diff 0 (0 ppm), Formula C11H6ClN2O", "218.04218": "Theoretical m/z 218.042337, Mass diff 0 (0.72 ppm), SMILES FC(F)(F)OC1=CC=C(C=C1)NCOC, Annotation [C9H10F3NO2-3H]+, Rule of HR True", "219.03232": "Theoretical m/z 219.032516, Mass diff 0 (0 ppm), Formula C11H8ClN2O", "223.01553": "Theoretical m/z 223.015649, Mass diff 0 (0.53 ppm), SMILES O=C(OC)C1(O)CC2=CC=C(Cl)C=C2C1, Annotation [C11H11ClO3-3H]+, Rule of HR True"}, "num_peaks": "38", "compound_name": "Indoxacarb", "retention_time": 7.23968, "precursor_mz": 528.0795, "collision_energy": "", "peaks_json": [[104.04956, 303700.0], [127.04175, 99545.0], [128.06201, 117126.0], [132.04463, 290691.0], [134.0237, 264912.0], [137.0152, 94534.0], [142.06526, 75186.0], [149.01559, 214826.0], [150.0106, 1405054.0], [155.06065, 232073.0], [160.05058, 254333.0], [162.01057, 1521152.0], [163.01862, 86648.0], [163.03091, 132653.0], [164.02652, 208730.0], [165.03412, 90438.0], [167.0258, 357529.0], [168.02145, 1690027.0], [174.99464, 101678.0], [177.01054, 92638.0], [177.03394, 231314.0], [179.02611, 358184.0], [180.02089, 413839.0], [182.03682, 119810.0], [189.02151, 643960.0], [190.00526, 1446936.0], [190.04744, 486518.0], [194.03688, 93119.0], [195.02061, 551503.0], [203.01863, 7362278.0], [204.00897, 308332.0], [207.02065, 269934.0], [208.01628, 221573.0], [215.04312, 81774.0], [217.01668, 489943.0], [218.04218, 536326.0], [219.03232, 457473.0], [223.01553, 87858.0]]}, {"scannumber": "3798", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C18H28N2O3", "inchikey": "NWUWYYSKZYIQAE-WMCAAGNKSA-N", "inchi": "", "smiles": "CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"116.07085": "Theoretical m/z 116.070606, Mass diff 0 (2.1 ppm), SMILES OC(=NC)OC(C)C, Annotation [C5H11NO2-H]+, Rule of HR True", "117.10262": "Theoretical m/z 117.10224, Mass diff 0 (3.25 ppm), SMILES N=C(O)C(N)C(C)C, Annotation [C5H12N2O+H]+, Rule of HR True", "119.0857": "Theoretical m/z 119.085529, Mass diff 0 (1.44 ppm), SMILES C=1C=C(C=CC1C)CC, Annotation [C9H12-H]+, Rule of HR True", "144.06569": "Theoretical m/z 144.065515, Mass diff 0 (1.22 ppm), SMILES OC(=NCCO)OC(C)C, Annotation [C6H13NO3-3H]+, Rule of HR True", "158.11795": "Theoretical m/z 158.117557, Mass diff 0 (2.48 ppm), SMILES OC(=NCC(C)C)OC(C)C, Annotation [C8H17NO2-H]+, Rule of HR True", "161.09248": "Theoretical m/z 161.09207, Mass diff 0 (2.55 ppm), SMILES N=C(O)CN=C(O)OC(C)C, Annotation [C6H12N2O3+H]+, Rule of HR True", "186.11298": "Theoretical m/z 186.113018, Mass diff -0.001 (0 ppm), Formula C9H16NO3", "203.13902": "Theoretical m/z 203.139021, Mass diff 0 (0 ppm), SMILES N=C(O)C(N=C(O)OC(C)C)C(C)C, Annotation [C9H18N2O3+H]+, Rule of HR True", "321.21719": "Theoretical m/z 321.217268, Mass diff 0 (0.24 ppm), SMILES OC(=NC(C(O)=NC(C1=CC=C(C=C1)C)C)C(C)C)OC(C)C, Annotation [C18H28N2O3+H]+, Rule of HR True"}, "num_peaks": "9", "compound_name": "Iprovalicarb", "retention_time": 6.291288, "precursor_mz": 321.218, "collision_energy": "", "peaks_json": [[116.07085, 2061421.0], [117.10262, 213026.0], [119.0857, 8088768.0], [144.06569, 976637.0], [158.11795, 349762.0], [161.09248, 110448.0], [186.11298, 1809182.0], [203.13902, 3619220.0], [321.21719, 658523.0]]}, {"scannumber": "2221", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H18N2O", "inchikey": "PUIYMUZLKQOUOZ-UHFFFAOYSA-N", "inchi": "", "smiles": "O=C(N(C)C)Nc1ccc(cc1)C(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05442": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "92.04957": "Theoretical m/z 92.049472, Mass diff 0 (1.06 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "93.07003": "Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9", "95.04929": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "103.05439": "Theoretical m/z 103.054223, Mass diff 0 (1.62 ppm), SMILES C=1C=CC(=CC1)CC, Annotation [C8H10-3H]+, Rule of HR True", "104.0621": "Theoretical m/z 104.062048, Mass diff 0 (0.5 ppm), SMILES C=1C=CC(=CC1)CC, Annotation [C8H10-2H]+, Rule of HR False", "105.04477": "Theoretical m/z 105.045273, Mass diff 0 (0 ppm), Formula C6H5N2", "105.06991": "Theoretical m/z 105.069873, Mass diff 0 (0.35 ppm), SMILES C=1C=CC(=CC1)CC, Annotation [C8H10-H]+, Rule of HR True", "106.06517": "Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N", "107.08563": "Theoretical m/z 107.085524, Mass diff 0 (0.99 ppm), SMILES C=1C=CC(=CC1)CC, Annotation [C8H10+H]+, Rule of HR True", "108.08108": "Theoretical m/z 108.081324, Mass diff 0 (0 ppm), Formula C7H10N", "109.0651": "Theoretical m/z 109.06534, Mass diff 0 (0 ppm), Formula C7H9O", "115.05431": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "117.06998": "Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9", "118.06519": "Theoretical m/z 118.065126, Mass diff 0 (0.54 ppm), SMILES NC1=CC=C(C=C1)CC, Annotation [C8H11N-3H]+, Rule of HR True", "119.0606": "Theoretical m/z 119.060923, Mass diff 0 (0 ppm), Formula C7H7N2", "119.07315": "Theoretical m/z 119.072951, Mass diff 0 (1.67 ppm), SMILES NC1=CC=C(C=C1)CC, Annotation [C8H11N-2H]+, Rule of HR False", "120.04464": "Theoretical m/z 120.044391, Mass diff 0 (2.07 ppm), SMILES O=CNC=1C=CC=CC1, Annotation [C7H7NO-H]+, Rule of HR True", "132.08089": "Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N", "134.0966": "Theoretical m/z 134.096424, Mass diff 0 (1.31 ppm), SMILES NC1=CC=C(C=C1)C(C)C, Annotation [C9H13N-H]+, Rule of HR True", "137.09615": "Theoretical m/z 137.09664, Mass diff 0 (0 ppm), Formula C9H13O", "147.0919": "Theoretical m/z 147.092223, Mass diff 0 (0 ppm), Formula C9H11N2", "162.09142": "Theoretical m/z 162.091343, Mass diff 0 (0.48 ppm), SMILES O=CNC1=CC=C(C=C1)C(C)C, Annotation [C10H13NO-H]+, Rule of HR True", "165.10242": "Theoretical m/z 165.102232, Mass diff 0 (1.14 ppm), SMILES O=C(NC=1C=CC=CC1)N(C)C, Annotation [C9H12N2O+H]+, Rule of HR True"}, "num_peaks": "27", "compound_name": "Isoproturon", "retention_time": 4.953308, "precursor_mz": 207.1494, "collision_energy": "", "peaks_json": [[91.05442, 804905.0], [92.04957, 254047.0], [93.0575, 33128.0], [93.07003, 116103.0], [94.06519, 63492.0], [95.04929, 164116.0], [103.05439, 51947.0], [104.0621, 43995.0], [105.04477, 78368.0], [105.06991, 101627.0], [106.06517, 86652.0], [107.08415, 19657.0], [107.08563, 575392.0], [108.08108, 26529.0], [109.0651, 34575.0], [115.05431, 109513.0], [117.06998, 312366.0], [118.06519, 123299.0], [119.0606, 36796.0], [119.07315, 606574.0], [120.04464, 242145.0], [132.08089, 72884.0], [134.0966, 1730390.0], [137.09615, 58215.0], [147.0919, 129941.0], [162.09142, 42617.0], [165.10242, 74899.0]]}, {"scannumber": "3991", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H10N2O2Cl2", "inchikey": "XKJMBINCVNINCA-UHFFFAOYSA-N", "inchi": "", "smiles": "CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"123.99524": "Theoretical m/z 123.994851, Mass diff 0 (3.13 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN-3H]+, Rule of HR True", "125.00295": "Theoretical m/z 125.002676, Mass diff 0 (2.19 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN-2H]+, Rule of HR False", "126.01085": "Theoretical m/z 126.010502, Mass diff 0 (2.77 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN-H]+, Rule of HR True", "127.0187": "Theoretical m/z 127.018327, Mass diff 0 (2.94 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN]+, Rule of HR False", "132.96072": "Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2", "142.00574": "Theoretical m/z 142.005966, Mass diff 0 (0 ppm), Formula C6H5ClNO", "153.02165": "Theoretical m/z 153.021951, Mass diff 0 (0 ppm), Formula C7H6ClN2", "159.97182": "Theoretical m/z 159.971531, Mass diff 0 (1.81 ppm), SMILES ClC1=CC=C(N)C=C1Cl, Annotation [C6H5Cl2N-H]+, Rule of HR True", "160.97951": "Theoretical m/z 160.979356, Mass diff 0 (0.96 ppm), SMILES ClC1=CC=C(N)C=C1Cl, Annotation [C6H5Cl2N]+, Rule of HR False", "165.02161": "Theoretical m/z 165.021402, Mass diff 0 (1.26 ppm), SMILES ClC1=CC=C(N=CNC)C=C1, Annotation [C8H9ClN2-3H]+, Rule of HR True", "167.0009": "Theoretical m/z 167.001215, Mass diff 0 (0 ppm), Formula C7H4ClN2O", "173.98759": "Theoretical m/z 173.987181, Mass diff 0 (2.35 ppm), SMILES ClC1=CC=C(N=C)C=C1Cl, Annotation [C7H5Cl2N+H]+, Rule of HR True", "181.0168": "Theoretical m/z 181.016321, Mass diff 0 (2.65 ppm), SMILES ClC1=CC=C(N=C(O)NC)C=C1, Annotation [C8H9ClN2O-3H]+, Rule of HR True", "216.99352": "Theoretical m/z 216.993, Mass diff 0.001 (2.4 ppm), SMILES ClC1=CC=C(N=C(O)NC)C=C1Cl, Annotation [C8H8Cl2N2O-H]+, Rule of HR True"}, "num_peaks": "17", "compound_name": "Linuron", "retention_time": 6.428301, "precursor_mz": 249.0202, "collision_energy": "", "peaks_json": [[123.99524, 160993.0], [125.00295, 934482.0], [126.01085, 53171.0], [127.0187, 34132.0], [132.96072, 2098030.0], [133.96875, 42332.0], [142.00574, 58394.0], [153.02165, 907640.0], [154.02942, 31975.0], [159.97182, 1453641.0], [160.97951, 1564652.0], [165.02161, 76894.0], [167.0009, 34764.0], [173.98759, 32777.0], [181.0168, 457538.0], [182.02429, 570846.0], [216.99352, 182540.0]]}, {"scannumber": "2948", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H11N2O2Br", "inchikey": "WLFDQEVORAMCIM-UHFFFAOYSA-N", "inchi": "", "smiles": "CON(C(=O)Nc1ccc(cc1)Br)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"90.03403": "Theoretical m/z 90.033822, Mass diff 0 (2.31 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-3H]+, Rule of HR True", "91.04183": "Theoretical m/z 91.041647, Mass diff 0 (2.01 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-2H]+, Rule of HR False", "92.04957": "Theoretical m/z 92.049472, Mass diff 0 (1.06 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "110.06014": "Theoretical m/z 110.060589, Mass diff 0 (0 ppm), Formula C6H8NO", "119.0606": "Theoretical m/z 119.060923, Mass diff 0 (0 ppm), Formula C7H7N2", "131.06062": "Theoretical m/z 131.060923, Mass diff 0 (0 ppm), Formula C8H7N2", "142.94916": "Theoretical m/z 142.949637, Mass diff 0 (0 ppm), Formula C5H4Br", "147.05553": "Theoretical m/z 147.055292, Mass diff 0 (1.62 ppm), SMILES O=C(NC=1C=CC=CC1)NC, Annotation [C8H10N2O-3H]+, Rule of HR True", "169.95995": "Theoretical m/z 169.95998, Mass diff 0 (0.17 ppm), SMILES BrC1=CC=C(N)C=C1, Annotation [C6H6BrN-H]+, Rule of HR True", "183.97557": "Theoretical m/z 183.976186, Mass diff 0 (0 ppm), Formula C7H7BrN", "226.98169": "Theoretical m/z 226.981449, Mass diff 0 (1.06 ppm), SMILES O=C(NC1=CC=C(Br)C=C1)NC, Annotation [C8H9BrN2O-H]+, Rule of HR True"}, "num_peaks": "15", "compound_name": "Metobromuron", "retention_time": 5.555997, "precursor_mz": 259.0081, "collision_energy": "", "peaks_json": [[90.03403, 60649.0], [91.04183, 2389714.0], [92.04957, 214805.0], [93.0575, 47461.0], [110.06014, 105724.0], [119.0606, 1438162.0], [120.06829, 52547.0], [131.06062, 84354.0], [142.94916, 1281698.0], [147.05553, 745419.0], [148.06332, 717928.0], [169.95995, 3654354.0], [170.96819, 2866842.0], [183.97557, 70285.0], [226.98169, 352678.0]]}, {"scannumber": "2345", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H11N2O2Cl", "inchikey": "LKJPSUCKSLORMF-UHFFFAOYSA-N", "inchi": "", "smiles": "CON(C(=O)Nc1ccc(cc1)Cl)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"90.03403": "Theoretical m/z 90.033822, Mass diff 0 (2.31 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-3H]+, Rule of HR True", "91.04183": "Theoretical m/z 91.041647, Mass diff 0 (2.01 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-2H]+, Rule of HR False", "92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "98.99973": "Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl", "119.0606": "Theoretical m/z 119.060923, Mass diff 0 (0 ppm), Formula C7H7N2", "126.01085": "Theoretical m/z 126.010502, Mass diff 0 (2.77 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN-H]+, Rule of HR True", "127.01831": "Theoretical m/z 127.018327, Mass diff 0 (0.13 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN]+, Rule of HR False", "131.06062": "Theoretical m/z 131.060923, Mass diff 0 (0 ppm), Formula C8H7N2", "140.02657": "Theoretical m/z 140.026702, Mass diff 0 (0 ppm), Formula C7H7ClN", "141.02174": "Theoretical m/z 141.021951, Mass diff 0 (0 ppm), Formula C6H6ClN2", "147.05553": "Theoretical m/z 147.055292, Mass diff 0 (1.62 ppm), SMILES O=C(NC=1C=CC=CC1)NC, Annotation [C8H10N2O-3H]+, Rule of HR True", "183.03224": "Theoretical m/z 183.031971, Mass diff 0 (1.47 ppm), SMILES O=C(NC1=CC=C(Cl)C=C1)NC, Annotation [C8H9ClN2O-H]+, Rule of HR True"}, "num_peaks": "16", "compound_name": "Monolinuron", "retention_time": 5.086284, "precursor_mz": 215.0587, "collision_energy": "", "peaks_json": [[90.03403, 245033.0], [91.04183, 266487.0], [92.0498, 149734.0], [93.0575, 65470.0], [98.99973, 5081895.0], [100.00744, 171810.0], [119.0606, 1725493.0], [120.06829, 76212.0], [126.01085, 4292995.0], [127.01831, 4179362.0], [131.06062, 91755.0], [140.02657, 95768.0], [141.02174, 52283.0], [147.05553, 873918.0], [148.06332, 1071865.0], [183.03224, 448058.0]]}, {"scannumber": "6056", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H19NO4", "inchikey": "HJUFTIJOISQSKQ-UHFFFAOYSA-N", "inchi": "", "smiles": "CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"88.03963": "Theoretical m/z 88.039302, Mass diff 0 (3.72 ppm), SMILES N=C(O)OCC, Annotation [C3H7NO2-H]+, Rule of HR True", "116.07085": "Theoretical m/z 116.070606, Mass diff 0 (2.1 ppm), SMILES OC(=NCC)OCC, Annotation [C5H11NO2-H]+, Rule of HR True", "256.09756": "Theoretical m/z 256.09682, Mass diff 0.001 (2.89 ppm), SMILES OC=NCCOC1=CC=C(OC=2C=CC=CC2)C=C1, Annotation [C15H15NO3-H]+, Rule of HR True", "302.13986": "Theoretical m/z 302.138685, Mass diff 0.001 (3.89 ppm), SMILES OC(=NCCOC1=CC=C(OC=2C=CC=CC2)C=C1)OCC, Annotation [C17H19NO4+H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Fenoxycarb", "retention_time": 7.007411, "precursor_mz": 302.1392, "collision_energy": "", "peaks_json": [[88.03963, 3398675.0], [116.07085, 7870537.0], [256.09756, 3714539.0], [302.13986, 4154405.0]]}, {"scannumber": "1173", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H12N2O", "inchikey": "XXOYNJXVWVNOOJ-UHFFFAOYSA-N", "inchi": "", "smiles": "CN(C(=Nc1ccccc1)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.04957": "Theoretical m/z 92.049472, Mass diff 0 (1.06 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "95.04929": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "105.04477": "Theoretical m/z 105.045273, Mass diff 0 (0 ppm), Formula C6H5N2", "120.04464": "Theoretical m/z 120.044391, Mass diff 0 (2.07 ppm), SMILES OC=NC=1C=CC=CC1, Annotation [C7H7NO-H]+, Rule of HR True"}, "num_peaks": "8", "compound_name": "Fenuron", "retention_time": 2.603287, "precursor_mz": 165.1026, "collision_energy": "", "peaks_json": [[90.94795, 13666.0], [92.04957, 465012.0], [93.0575, 10288.0], [95.0478, 10698.0], [95.04929, 620773.0], [104.96333, 7099.0], [105.04477, 391134.0], [120.04464, 89335.0]]}, {"scannumber": "2001", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H15NO2", "inchikey": "QBSJMKIUCUGGNG-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1ccccc1C(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"95.04929": "Theoretical m/z 95.049139, Mass diff 0 (1.59 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "137.09615": "Theoretical m/z 137.096098, Mass diff 0 (0.38 ppm), SMILES OC=1C=CC=CC1C(C)C, Annotation [C9H12O+H]+, Rule of HR True", "152.07103": "Theoretical m/z 152.0706, Mass diff 0 (2.82 ppm), SMILES OC(=NC)OC=1C=CC=CC1, Annotation [C8H9NO2+H]+, Rule of HR True", "194.11743": "Theoretical m/z 194.117552, Mass diff 0 (0.63 ppm), SMILES OC(=NC)OC=1C=CC=CC1C(C)C, Annotation [C11H15NO2+H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Isoprocarb", "retention_time": 4.552796, "precursor_mz": 194.1181, "collision_energy": "", "peaks_json": [[95.04929, 1741248.0], [137.09615, 1255669.0], [152.07103, 658146.0], [194.11743, 393850.0]]}, {"scannumber": "8910", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C19H18N3O4Cl", "inchikey": "HZRSNVGNWUDEFX-UHFFFAOYSA-N", "inchi": "", "smiles": "COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"162.0554": "Theoretical m/z 162.054956, Mass diff 0 (2.74 ppm), SMILES O=C(OC)NC=1C=CC=CC1C, Annotation [C9H11NO2-3H]+, Rule of HR True", "163.06332": "Theoretical m/z 163.062781, Mass diff 0.001 (3.31 ppm), SMILES O=C(OC)NC=1C=CC=CC1C, Annotation [C9H11NO2-2H]+, Rule of HR False", "164.07108": "Theoretical m/z 164.070606, Mass diff 0 (2.89 ppm), SMILES O=C(OC)NC=1C=CC=CC1C, Annotation [C9H11NO2-H]+, Rule of HR True", "194.08186": "Theoretical m/z 194.081165, Mass diff 0.001 (3.58 ppm), SMILES O=C(OC)N(OC)C=1C=CC=CC1C, Annotation [C10H13NO3-H]+, Rule of HR True", "296.05969": "Theoretical m/z 296.058526, Mass diff 0.001 (3.93 ppm), SMILES ClC1=CC=C(C=C1)N2N=C(OCC=3C=CC=CC3N)C=C2, Annotation [C16H14ClN3O-3H]+, Rule of HR True", "324.05402": "Theoretical m/z 324.05343, Mass diff 0.001 (1.82 ppm), SMILES O=CNC=1C=CC=CC1COC2=NN(C=C2)C3=CC=C(Cl)C=C3, Annotation [C17H14ClN3O2-3H]+, Rule of HR True", "356.08151": "Theoretical m/z 356.080194, Mass diff -0.002 (0 ppm), Formula C18H15ClN3O3", "388.10776": "Theoretical m/z 388.105848, Mass diff 0.002 (4.93 ppm), SMILES O=C(OC)N(OC)C=1C=CC=CC1COC2=NN(C=C2)C3=CC=C(Cl)C=C3, Annotation [C19H18ClN3O4+H]+, Rule of HR True"}, "num_peaks": "11", "compound_name": "Pyraclostrobin", "retention_time": 7.421628, "precursor_mz": 388.107, "collision_energy": "", "peaks_json": [[162.0554, 983545.0], [163.06332, 1950324.0], [164.07108, 4818863.0], [194.08186, 23217608.0], [296.05423, 282175.0], [296.05969, 5986147.0], [324.05402, 1024635.0], [356.07611, 701579.0], [356.08151, 2958382.0], [357.08807, 317478.0], [388.10776, 6476718.0]]}, {"scannumber": "3358", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H20N2O", "inchikey": "JXVIIQLNUPXOII-UHFFFAOYSA-N", "inchi": "", "smiles": "CC1CCCCC1NC(=Nc1ccccc1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "94.06544": "Theoretical m/z 94.065123, Mass diff 0 (3.38 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N+H]+, Rule of HR True", "95.04929": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "97.10134": "Theoretical m/z 97.101177, Mass diff 0 (1.68 ppm), SMILES CC1CCCCC1, Annotation [C7H14-H]+, Rule of HR True", "105.04506": "Theoretical m/z 105.045273, Mass diff 0 (0 ppm), Formula C6H5N2", "120.04464": "Theoretical m/z 120.044391, Mass diff 0 (2.07 ppm), SMILES OC=NC=1C=CC=CC1, Annotation [C7H7NO-H]+, Rule of HR True", "137.07117": "Theoretical m/z 137.070936, Mass diff 0 (1.71 ppm), SMILES OC(=NC=1C=CC=CC1)N, Annotation [C7H8N2O+H]+, Rule of HR True"}, "num_peaks": "8", "compound_name": "Siduron_1", "retention_time": 5.922128, "precursor_mz": 233.1652, "collision_energy": "", "peaks_json": [[92.0498, 933541.0], [93.0575, 170423.0], [94.06544, 14211722.0], [95.04929, 2073643.0], [97.10134, 599721.0], [105.04506, 1075144.0], [120.04464, 1602718.0], [137.07117, 1760320.0]]}, {"scannumber": "3451", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H20N2O", "inchikey": "JXVIIQLNUPXOII-UHFFFAOYSA-N", "inchi": "", "smiles": "CC1CCCCC1NC(=Nc1ccccc1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.04957": "Theoretical m/z 92.049472, Mass diff 0 (1.06 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "95.04929": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "97.10134": "Theoretical m/z 97.101177, Mass diff 0 (1.68 ppm), SMILES CC1CCCCC1, Annotation [C7H14-H]+, Rule of HR True", "105.04477": "Theoretical m/z 105.045273, Mass diff 0 (0 ppm), Formula C6H5N2", "120.04464": "Theoretical m/z 120.044391, Mass diff 0 (2.07 ppm), SMILES OC=NC=1C=CC=CC1, Annotation [C7H7NO-H]+, Rule of HR True", "137.07117": "Theoretical m/z 137.070936, Mass diff 0 (1.71 ppm), SMILES OC(=NC=1C=CC=CC1)N, Annotation [C7H8N2O+H]+, Rule of HR True"}, "num_peaks": "8", "compound_name": "Siduron_2", "retention_time": 6.048454, "precursor_mz": 233.1654, "collision_energy": "", "peaks_json": [[92.04957, 227079.0], [93.0575, 48287.0], [94.06519, 3308508.0], [95.04929, 491391.0], [97.10134, 147324.0], [105.04477, 331107.0], [120.04464, 414038.0], [137.07117, 494688.0]]}, {"scannumber": "6489", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H16NOClS", "inchikey": "QHTQREMOGMZHJV-UHFFFAOYSA-N", "inchi": "", "smiles": "CCN(C(=O)SCc1ccc(cc1)Cl)CC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03883": "Theoretical m/z 89.038575, Mass diff 0 (2.86 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-3H]+, Rule of HR True", "98.99973": "Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl", "125.01533": "Theoretical m/z 125.015255, Mass diff 0 (0.6 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True"}, "num_peaks": "3", "compound_name": "Thiobencarb", "retention_time": 7.094566, "precursor_mz": 258.0717, "collision_energy": "", "peaks_json": [[89.03883, 1114558.0], [98.99973, 585236.0], [125.01533, 28327212.0]]}, {"scannumber": "5946", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H10N2O3ClF3", "inchikey": "XAIPTRIXGHTTNT-UHFFFAOYSA-N", "inchi": "", "smiles": "O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"113.01541": "Theoretical m/z 113.015257, Mass diff 0 (1.36 ppm), SMILES ClC=1C=CC=CC1, Annotation [C6H5Cl+H]+, Rule of HR True", "129.01042": "Theoretical m/z 129.010717, Mass diff 0 (0 ppm), Formula C6H6ClO", "138.011": "Theoretical m/z 138.010502, Mass diff 0 (3.61 ppm), SMILES ClC=1C=CC=CC1C=N, Annotation [C7H6ClN-H]+, Rule of HR True", "138.99484": "Theoretical m/z 138.995067, Mass diff 0 (0 ppm), Formula C7H4ClO", "156.02116": "Theoretical m/z 156.02107, Mass diff 0 (0.57 ppm), SMILES ClC=1C=CC=CC1C(=N)O, Annotation [C7H6ClNO+H]+, Rule of HR True", "178.04784": "Theoretical m/z 178.047422, Mass diff 0 (2.35 ppm), SMILES FC(F)(F)OC1=CC=C(N)C=C1, Annotation [C7H6F3NO+H]+, Rule of HR True"}, "num_peaks": "7", "compound_name": "Triflumuron", "retention_time": 6.978649, "precursor_mz": 359.0412, "collision_energy": "", "peaks_json": [[113.01541, 658622.0], [129.01042, 138249.0], [138.011, 140957.0], [138.99484, 9851099.0], [139.00452, 474854.0], [156.02116, 3353307.0], [178.04784, 200379.0]]}, {"scannumber": "3629", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H13NO2", "inchikey": "VXPLXMJHHKHSOA-UHFFFAOYSA-N", "inchi": "", "smiles": "CC(OC(=Nc1ccccc1)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05442": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "95.04929": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "96.04461": "Theoretical m/z 96.044939, Mass diff 0 (0 ppm), Formula C5H6NO", "106.02882": "Theoretical m/z 106.029289, Mass diff 0 (0 ppm), Formula C6H4NO", "109.02843": "Theoretical m/z 109.028954, Mass diff 0 (0 ppm), Formula C6H5O2", "117.0574": "Theoretical m/z 117.057849, Mass diff 0 (0 ppm), Formula C8H7N", "124.03935": "Theoretical m/z 124.039853, Mass diff 0 (0 ppm), Formula C6H6NO2", "134.0237": "Theoretical m/z 134.024203, Mass diff 0 (0 ppm), Formula C7H4NO2"}, "num_peaks": "13", "compound_name": "Propham", "retention_time": 6.134321, "precursor_mz": 180.1022, "collision_energy": "", "peaks_json": [[91.05442, 8291.0], [93.0575, 2806.0], [95.04929, 8647.0], [96.04461, 67785.0], [97.02845, 206258.0], [105.0335, 4841.0], [105.04477, 6538.0], [106.02882, 185730.0], [109.02843, 2611.0], [117.0574, 2236.0], [124.03935, 187312.0], [134.0237, 14609.0], [152.0343, 3135.0]]}, {"scannumber": "1562", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H15NO3", "inchikey": "ISRUGXGCCGIOQO-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1ccccc1OC(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"93.03366": "Theoretical m/z 93.033489, Mass diff 0 (1.84 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O-H]+, Rule of HR True", "111.04436": "Theoretical m/z 111.044058, Mass diff 0 (2.72 ppm), SMILES OC=1C=CC=CC1O, Annotation [C6H6O2+H]+, Rule of HR True", "153.09126": "Theoretical m/z 153.091001, Mass diff 0 (1.69 ppm), SMILES OC=1C=CC=CC1OC(C)C, Annotation [C9H12O2+H]+, Rule of HR True", "168.06589": "Theoretical m/z 168.065519, Mass diff 0 (2.21 ppm), SMILES OC(=NC)OC=1C=CC=CC1O, Annotation [C8H9NO3+H]+, Rule of HR True", "210.11256": "Theoretical m/z 210.112471, Mass diff 0 (0.43 ppm), SMILES OC(=NC)OC=1C=CC=CC1OC(C)C, Annotation [C11H15NO3+H]+, Rule of HR True"}, "num_peaks": "6", "compound_name": "Propoxur", "retention_time": 3.894733, "precursor_mz": 210.1129, "collision_energy": "", "peaks_json": [[93.03366, 11976.0], [111.04436, 1112660.0], [153.09126, 254920.0], [168.06589, 785437.0], [199.97662, 26875.0], [210.11256, 38244.0]]}, {"scannumber": "4942", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H16N2OCl2", "inchikey": "CCGPUGMWYLICGL-UHFFFAOYSA-N", "inchi": "", "smiles": "CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"114.09161": "Theoretical m/z 114.091889, Mass diff 0 (0 ppm), Formula C6H12NO", "123.99487": "Theoretical m/z 123.994851, Mass diff 0 (0.15 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN-3H]+, Rule of HR True", "125.00258": "Theoretical m/z 125.002676, Mass diff 0 (0.77 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN-2H]+, Rule of HR False", "127.01831": "Theoretical m/z 127.018327, Mass diff 0 (0.13 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN]+, Rule of HR False", "132.96072": "Theoretical m/z 132.96118, Mass diff 0 (0 ppm), Formula C5H3Cl2", "159.97182": "Theoretical m/z 159.971531, Mass diff 0 (1.81 ppm), SMILES ClC1=CC=C(N)C=C1Cl, Annotation [C6H5Cl2N-H]+, Rule of HR True", "161.98734": "Theoretical m/z 161.987181, Mass diff 0 (0.98 ppm), SMILES ClC1=CC=C(N)C=C1Cl, Annotation [C6H5Cl2N+H]+, Rule of HR True", "172.9666": "Theoretical m/z 172.967328, Mass diff 0 (0 ppm), Formula C6H3Cl2N2", "187.96652": "Theoretical m/z 187.966449, Mass diff 0 (0.38 ppm), SMILES ClC1=CC=C(N=CO)C=C1Cl, Annotation [C7H5Cl2NO-H]+, Rule of HR True"}, "num_peaks": "12", "compound_name": "Neburon", "retention_time": 6.834164, "precursor_mz": 275.0721, "collision_energy": "", "peaks_json": [[88.11217, 614563.0], [114.09161, 31817.0], [123.99487, 30163.0], [125.00258, 66386.0], [127.01831, 315476.0], [132.96072, 198326.0], [152.99777, 149347.0], [159.97182, 1502459.0], [161.98734, 127589.0], [172.9666, 45053.0], [173.50816, 20256.0], [187.96652, 106090.0]]}, {"scannumber": "1410", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H18N4O2", "inchikey": "YFGYUFNIOHWBOB-UHFFFAOYSA-N", "inchi": "", "smiles": "CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.07622": "Theoretical m/z 85.076023, Mass diff 0 (2.32 ppm), SMILES N(=CNC)CC, Annotation [C4H10N2-H]+, Rule of HR True", "109.07641": "Theoretical m/z 109.076025, Mass diff 0 (3.53 ppm), SMILES N=1C=NC(=C(C1)C)C, Annotation [C6H8N2+H]+, Rule of HR True", "123.0557": "Theoretical m/z 123.055286, Mass diff 0 (3.36 ppm), SMILES OC1=NC=NC(=C1C)C, Annotation [C6H8N2O-H]+, Rule of HR True", "137.07117": "Theoretical m/z 137.071488, Mass diff 0 (0 ppm), Formula C7H9N2O", "139.08681": "Theoretical m/z 139.087138, Mass diff 0 (0 ppm), Formula C7H11N2O", "150.10287": "Theoretical m/z 150.102573, Mass diff 0 (1.98 ppm), SMILES N=1C=C(C(=NC1N(C)C)C)C, Annotation [C8H13N3-H]+, Rule of HR True", "152.08211": "Theoretical m/z 152.081836, Mass diff 0 (1.8 ppm), SMILES OC=1N=C(N=C(C1C)C)NC, Annotation [C7H11N3O-H]+, Rule of HR True", "166.09756": "Theoretical m/z 166.097492, Mass diff 0 (0.41 ppm), SMILES OC=1N=C(N=C(C1C)C)N(C)C, Annotation [C8H13N3O-H]+, Rule of HR True", "168.11327": "Theoretical m/z 168.113142, Mass diff 0 (0.76 ppm), SMILES OC=1N=C(N=C(C1C)C)N(C)C, Annotation [C8H13N3O+H]+, Rule of HR True", "180.11363": "Theoretical m/z 180.113687, Mass diff 0 (0 ppm), Formula C9H14N3O", "182.12914": "Theoretical m/z 182.129337, Mass diff 0 (0 ppm), Formula C9H16N3O", "195.16029": "Theoretical m/z 195.160972, Mass diff 0 (0 ppm), Formula C10H19N4"}, "num_peaks": "16", "compound_name": "Pirimicarb", "retention_time": 2.886323, "precursor_mz": 239.1508, "collision_energy": "", "peaks_json": [[85.07622, 1062158.0], [94.05271, 17085.0], [109.07641, 1234692.0], [123.0557, 18419.0], [124.06345, 155955.0], [137.07117, 726268.0], [138.0789, 659866.0], [139.08681, 37108.0], [150.10287, 446134.0], [152.08211, 433568.0], [166.09756, 38582.0], [167.10577, 250650.0], [168.11327, 14402.0], [180.11363, 53047.0], [182.12914, 1046026.0], [195.16029, 68565.0]]}, {"scannumber": "3089", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H17NO2", "inchikey": "DTAPQAJKAFRNJB-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1cc(C)cc(c1)C(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"109.0651": "Theoretical m/z 109.064794, Mass diff 0 (2.8 ppm), SMILES OC1=CC=CC(=C1)C, Annotation [C7H8O+H]+, Rule of HR True", "151.1118": "Theoretical m/z 151.111738, Mass diff 0 (0.41 ppm), SMILES OC=1C=C(C=C(C1)C(C)C)C, Annotation [C10H14O+H]+, Rule of HR True", "208.13309": "Theoretical m/z 208.133207, Mass diff 0 (0.56 ppm), SMILES OC(=NC)OC=1C=C(C=C(C1)C(C)C)C, Annotation [C12H17NO2+H]+, Rule of HR True"}, "num_peaks": "3", "compound_name": "Promecarb", "retention_time": 5.65392, "precursor_mz": 208.1339, "collision_energy": "", "peaks_json": [[109.0651, 1911986.0], [151.1118, 3833728.0], [208.13309, 173991.0]]}, {"scannumber": "2984", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H17N5S", "inchikey": "RQVYBGPQFYCBGX-UHFFFAOYSA-N", "inchi": "", "smiles": "CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.05116": "Theoretical m/z 85.051421, Mass diff 0 (0 ppm), Formula C2H5N4", "91.03273": "Theoretical m/z 91.032446, Mass diff 0 (3.12 ppm), SMILES N=C(SC)N, Annotation [C2H6N2S+H]+, Rule of HR True", "96.05572": "Theoretical m/z 96.05562, Mass diff 0 (1.05 ppm), SMILES N(=C)C(=NCC)N, Annotation [C4H9N3-3H]+, Rule of HR True", "102.03746": "Theoretical m/z 102.037745, Mass diff 0 (0 ppm), Formula C4H8NS", "110.04619": "Theoretical m/z 110.04667, Mass diff 0 (0 ppm), Formula C3H4N5", "113.08218": "Theoretical m/z 113.082172, Mass diff 0 (0.07 ppm), SMILES N(=CN)C(=NCC)N, Annotation [C4H10N4-H]+, Rule of HR True", "116.0279": "Theoretical m/z 116.027691, Mass diff 0 (1.81 ppm), SMILES N=C(N=CSC)N, Annotation [C3H7N3S-H]+, Rule of HR True", "138.07761": "Theoretical m/z 138.077427, Mass diff 0 (1.33 ppm), SMILES N=C1NC=NC(=NCC)N1, Annotation [C5H9N5-H]+, Rule of HR True", "140.09331": "Theoretical m/z 140.093077, Mass diff 0 (1.67 ppm), SMILES N=C1NC=NC(=NCC)N1, Annotation [C5H9N5+H]+, Rule of HR True", "144.05919": "Theoretical m/z 144.058994, Mass diff 0 (1.36 ppm), SMILES N(=CSC)C(=NCC)N, Annotation [C5H11N3S-H]+, Rule of HR True", "158.04967": "Theoretical m/z 158.049498, Mass diff 0 (1.09 ppm), SMILES N=C1N=C(SC)NC(=N)N1, Annotation [C4H7N5S+H]+, Rule of HR True", "184.06534": "Theoretical m/z 184.065143, Mass diff 0 (1.07 ppm), SMILES N=C1NC(N=C(SC)N1)=NCC, Annotation [C6H11N5S-H]+, Rule of HR True", "186.08095": "Theoretical m/z 186.080793, Mass diff 0 (0.84 ppm), SMILES N=C1NC(N=C(SC)N1)=NCC, Annotation [C6H11N5S+H]+, Rule of HR True", "228.12772": "Theoretical m/z 228.127745, Mass diff 0 (0.11 ppm), SMILES N=1C(=NCC)NC(=NC(C)C)NC1SC, Annotation [C9H17N5S+H]+, Rule of HR True"}, "num_peaks": "15", "compound_name": "Ametryn", "retention_time": 4.38309, "precursor_mz": 228.1282, "collision_energy": "", "peaks_json": [[85.05116, 494786.0], [91.03273, 2410460.0], [96.05421, 57071.0], [96.05572, 4102907.0], [102.03746, 125646.0], [110.04619, 527391.0], [113.08218, 433234.0], [116.0279, 3479269.0], [138.07761, 1659836.0], [140.09331, 43027.0], [144.05919, 1428619.0], [158.04967, 1355067.0], [184.06534, 61690.0], [186.08095, 4152044.0], [228.12772, 94575.0]]}, {"scannumber": "7002", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C22H17N3O5", "inchikey": "WFDXOXNFNRHQEC-UHFFFAOYSA-N", "inchi": "", "smiles": "COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"120.04499": "Theoretical m/z 120.044393, Mass diff 0.001 (4.97 ppm), SMILES N#CC=1C=CC=CC1O, Annotation [C7H5NO+H]+, Rule of HR True", "129.04543": "Theoretical m/z 129.045273, Mass diff -0.001 (0 ppm), Formula C8H5N2", "130.0406": "Theoretical m/z 130.040522, Mass diff -0.001 (0 ppm), Formula C7H4N3", "133.05293": "Theoretical m/z 133.052764, Mass diff -0.001 (0 ppm), Formula C8H7NO", "134.06076": "Theoretical m/z 134.060589, Mass diff -0.001 (0 ppm), Formula C8H8NO", "141.04556": "Theoretical m/z 141.045273, Mass diff -0.001 (0 ppm), Formula C9H5N2", "143.06114": "Theoretical m/z 143.060923, Mass diff -0.001 (0 ppm), Formula C9H7N2", "145.02927": "Theoretical m/z 145.028954, Mass diff -0.001 (0 ppm), Formula C9H5O2", "145.0527": "Theoretical m/z 145.052216, Mass diff 0 (3.33 ppm), SMILES N#CC=1C=CC=CC1OC=C, Annotation [C9H7NO]+, Rule of HR False", "155.06116": "Theoretical m/z 155.060923, Mass diff -0.001 (0 ppm), Formula C10H7N2", "156.04523": "Theoretical m/z 156.044939, Mass diff -0.001 (0 ppm), Formula C10H6NO", "169.04019": "Theoretical m/z 169.039636, Mass diff 0.001 (3.28 ppm), SMILES N=1C=NC(OC=2C=CC=CC2)=CC1, Annotation [C10H8N2O-3H]+, Rule of HR True", "171.05582": "Theoretical m/z 171.055286, Mass diff 0.001 (3.12 ppm), SMILES N=1C=NC(OC=2C=CC=CC2)=CC1, Annotation [C10H8N2O-H]+, Rule of HR True", "172.03992": "Theoretical m/z 172.039306, Mass diff 0.001 (3.57 ppm), SMILES N=COC=1C=CC=CC1C=COC, Annotation [C10H11NO2-5H]+, Rule of HR True", "177.05542": "Theoretical m/z 177.054615, Mass diff 0.001 (4.55 ppm), SMILES O=C(O)C(=COC)C=1C=CC=CC1, Annotation [C10H10O3-H]+, Rule of HR True", "182.0724": "Theoretical m/z 182.073165, Mass diff 0 (0 ppm), Formula C13H10O", "183.05617": "Theoretical m/z 183.055292, Mass diff 0.001 (4.8 ppm), SMILES N=1C=NC(OC=2C=CC=CC2C)=CC1, Annotation [C11H10N2O-3H]+, Rule of HR True", "199.05089": "Theoretical m/z 199.050201, Mass diff 0.001 (3.46 ppm), SMILES N=CN=COC=1C=CC=CC1C=COC, Annotation [C11H12N2O2-5H]+, Rule of HR True", "200.03506": "Theoretical m/z 200.034225, Mass diff 0.001 (4.18 ppm), SMILES O=CC(=COC)C=1C=CC=CC1OC=N, Annotation [C11H11NO3-5H]+, Rule of HR True", "201.06636": "Theoretical m/z 201.065851, Mass diff 0.001 (2.53 ppm), SMILES N=CN=COC=1C=CC=CC1C=COC, Annotation [C11H12N2O2-3H]+, Rule of HR True", "210.0668": "Theoretical m/z 210.066737, Mass diff -0.001 (0 ppm), Formula C12H8N3O", "211.05078": "Theoretical m/z 211.050752, Mass diff -0.001 (0 ppm), Formula C12H7N2O2", "216.06657": "Theoretical m/z 216.065515, Mass diff 0.001 (4.88 ppm), SMILES O=CC(=COC)C=1C=CC=CC1OC(=N)C, Annotation [C12H13NO3-3H]+, Rule of HR True", "272.0834": "Theoretical m/z 272.082387, Mass diff -0.002 (0 ppm), Formula C17H10N3O", "273.06769": "Theoretical m/z 273.066403, Mass diff -0.002 (0 ppm), Formula C17H9N2O2", "273.0907": "Theoretical m/z 273.091555, Mass diff 0 (0 ppm), Formula C19H13O2", "275.08304": "Theoretical m/z 275.082053, Mass diff -0.002 (0 ppm), Formula C17H11N2O2", "287.08322": "Theoretical m/z 287.082053, Mass diff -0.002 (0 ppm), Formula C18H11N2O2", "288.06744": "Theoretical m/z 288.066068, Mass diff -0.002 (0 ppm), Formula C18H10NO3", "300.07855": "Theoretical m/z 300.077302, Mass diff -0.002 (0 ppm), Formula C18H10N3O2", "301.08551": "Theoretical m/z 301.08457, Mass diff 0.001 (3.12 ppm), SMILES N#CC=1C=CC=CC1OC2=NC=NC(OC=3C=CC=CC3C)=C2, Annotation [C18H13N3O2-2H]+, Rule of HR False", "312.07855": "Theoretical m/z 312.077302, Mass diff -0.002 (0 ppm), Formula C19H10N3O2", "315.10245": "Theoretical m/z 315.102119, Mass diff -0.001 (0 ppm), Formula C21H15O3", "316.10916": "Theoretical m/z 316.108045, Mass diff 0.001 (3.53 ppm), SMILES N#CC=1C=CC=CC1OC2=NC=NC(OC=3C=CC=CC3C=C)=C2, Annotation [C19H13N3O2+H]+, Rule of HR True", "328.07382": "Theoretical m/z 328.072216, Mass diff -0.002 (0 ppm), Formula C19H10N3O3", "329.08087": "Theoretical m/z 329.079504, Mass diff 0.001 (4.15 ppm), SMILES N#CC=1C=CC=CC1OC2=NC=NC(OC=3C=CC=CC3C=CO)=C2, Annotation [C19H13N3O3-2H]+, Rule of HR False", "344.10461": "Theoretical m/z 344.102955, Mass diff 0.002 (4.81 ppm), SMILES N#CC=1C=CC=CC1OC2=NC=NC(OC=3C=CC=CC3C=COC)=C2, Annotation [C20H15N3O3-H]+, Rule of HR True", "372.10004": "Theoretical m/z 372.098431, Mass diff -0.002 (0 ppm), Formula C21H14N3O4"}, "num_peaks": "46", "compound_name": "Azoxystrobin", "retention_time": 6.9269, "precursor_mz": 404.1249, "collision_energy": "", "peaks_json": [[120.04499, 298934.0], [129.04543, 475852.0], [130.0406, 263606.0], [133.05293, 386291.0], [134.06076, 1413032.0], [141.04556, 164042.0], [143.06114, 793237.0], [145.02927, 438571.0], [145.0527, 469026.0], [155.06116, 174099.0], [156.04523, 1265874.0], [169.04019, 657911.0], [170.04799, 171763.0], [171.03239, 360415.0], [171.05582, 571918.0], [172.03992, 1796369.0], [173.04782, 282353.0], [177.05542, 349400.0], [182.04868, 292236.0], [182.0724, 305597.0], [183.05617, 4029271.0], [199.05089, 723420.0], [200.03506, 1025293.0], [201.04263, 1807636.0], [201.06636, 510108.0], [210.04311, 1974682.0], [210.0668, 342264.0], [211.05078, 355209.0], [216.06657, 1168439.0], [246.07988, 182890.0], [272.0834, 1282380.0], [273.06769, 795436.0], [273.0907, 1168355.0], [274.07443, 221912.0], [275.08304, 260482.0], [287.08322, 453884.0], [288.06744, 172169.0], [300.07855, 1244681.0], [301.08551, 3241347.0], [312.07855, 219216.0], [315.10245, 205186.0], [316.10916, 292099.0], [328.07382, 3766201.0], [329.08087, 15964814.0], [344.10461, 2718360.0], [372.10004, 167044.0]]}, {"scannumber": "7850", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C20H23NO3", "inchikey": "CJPQIRJHIZUAQP-INIZCTEOSA-N", "inchi": "", "smiles": "COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05441": "Theoretical m/z 91.054226, Mass diff 0 (2.03 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "105.0702": "Theoretical m/z 105.069873, Mass diff 0 (3.11 ppm), SMILES C=1C=C(C=C(C1)C)C, Annotation [C8H10-H]+, Rule of HR True", "106.06546": "Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N", "120.081": "Theoretical m/z 120.080776, Mass diff 0 (1.87 ppm), SMILES NC=1C(=CC=CC1C)C, Annotation [C8H11N-H]+, Rule of HR True", "121.08883": "Theoretical m/z 121.088601, Mass diff 0 (1.89 ppm), SMILES NC=1C(=CC=CC1C)C, Annotation [C8H11N]+, Rule of HR False", "122.09673": "Theoretical m/z 122.096426, Mass diff 0 (2.49 ppm), SMILES NC=1C(=CC=CC1C)C, Annotation [C8H11N+H]+, Rule of HR True", "133.08878": "Theoretical m/z 133.089149, Mass diff 0 (0 ppm), Formula C9H11N", "148.11217": "Theoretical m/z 148.112079, Mass diff 0 (0.61 ppm), SMILES C=1C=C(C(NCC)=C(C1)C)C, Annotation [C10H15N-H]+, Rule of HR True"}, "num_peaks": "8", "compound_name": "Benalaxyl", "retention_time": 7.079875, "precursor_mz": 326.1756, "collision_energy": "", "peaks_json": [[91.05441, 11560916.0], [105.0702, 367839.0], [106.06546, 647312.0], [120.081, 385637.0], [121.08883, 11501126.0], [122.09673, 517871.0], [133.08878, 546024.0], [148.11217, 23207426.0]]}, {"scannumber": "6328", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C18H12N2OCl2", "inchikey": "WYEMLYFITZORAB-UHFFFAOYSA-N", "inchi": "", "smiles": "Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"96.04461": "Theoretical m/z 96.044939, Mass diff 0 (0 ppm), Formula C5H6NO", "111.99506": "Theoretical m/z 111.994854, Mass diff 0 (1.84 ppm), SMILES ClC1=NC=CC=C1, Annotation [C5H4ClN-H]+, Rule of HR True", "114.01087": "Theoretical m/z 114.010504, Mass diff 0 (3.21 ppm), SMILES ClC1=NC=CC=C1, Annotation [C5H4ClN+H]+, Rule of HR True", "130.00558": "Theoretical m/z 130.005966, Mass diff 0 (0 ppm), Formula C5H5ClNO", "139.99011": "Theoretical m/z 139.990316, Mass diff 0 (0 ppm), Formula C6H3ClNO", "216.08105": "Theoretical m/z 216.081324, Mass diff 0 (0 ppm), Formula C16H10N", "228.08148": "Theoretical m/z 228.081324, Mass diff -0.001 (0 ppm), Formula C17H10N", "230.03716": "Theoretical m/z 230.036716, Mass diff 0 (1.93 ppm), SMILES ClC=1C=CC(=CC1)C=2C=CC=CC2N=CO, Annotation [C13H10ClNO-H]+, Rule of HR True", "238.04195": "Theoretical m/z 238.042352, Mass diff 0 (0 ppm), Formula C15H9ClN", "243.09259": "Theoretical m/z 243.092223, Mass diff -0.001 (0 ppm), Formula C17H11N2", "253.07672": "Theoretical m/z 253.076018, Mass diff 0.001 (2.77 ppm), SMILES N=1C=CC=C(C1)C=NC=2C=CC=CC2C=3C=CC=CC3, Annotation [C18H14N2-5H]+, Rule of HR True", "264.05807": "Theoretical m/z 264.058002, Mass diff -0.001 (0 ppm), Formula C17H11ClN", "271.08762": "Theoretical m/z 271.086603, Mass diff 0.001 (3.75 ppm), SMILES OC(=NC=1C=CC=CC1C=2C=CC=CC2)C=3C=NC=CC3, Annotation [C18H14N2O-3H]+, Rule of HR True", "279.0686": "Theoretical m/z 279.068901, Mass diff 0 (0 ppm), Formula C17H12ClN2", "289.05276": "Theoretical m/z 289.052698, Mass diff 0 (0.22 ppm), SMILES ClC=1C=CC(=CC1)C=2C=CC=CC2N=CC=3C=NC=CC3, Annotation [C18H13ClN2-3H]+, Rule of HR True", "305.04871": "Theoretical m/z 305.048166, Mass diff -0.001 (0 ppm), Formula C18H10ClN2O", "307.06335": "Theoretical m/z 307.063282, Mass diff 0 (0.22 ppm), SMILES ClC=1C=CC(=CC1)C=2C=CC=CC2N=C(O)C=3C=NC=CC3, Annotation [C18H13ClN2O-H]+, Rule of HR True"}, "num_peaks": "27", "compound_name": "Boscalid", "retention_time": 6.811709, "precursor_mz": 343.0408, "collision_energy": "", "peaks_json": [[96.04461, 588528.0], [111.99506, 131288.0], [112.03961, 562594.0], [114.01087, 183518.0], [130.00558, 256565.0], [139.99011, 1220289.0], [152.06248, 66998.0], [216.08105, 60699.0], [227.07349, 93814.0], [228.08148, 96430.0], [229.08876, 93365.0], [230.03716, 77307.0], [238.04195, 58994.0], [242.08464, 181011.0], [243.09259, 680474.0], [244.09969, 317520.0], [253.07672, 424600.0], [254.08458, 657164.0], [264.05807, 118437.0], [270.07944, 187992.0], [271.08762, 5868577.0], [272.09424, 5476461.0], [279.0686, 68522.0], [289.05276, 1245064.0], [305.04871, 107573.0], [306.05643, 72921.0], [307.06335, 2958245.0]]}, {"scannumber": "2756", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H16N2O3", "inchikey": "AMRQXHFXNZFDCH-VIFPVBQESA-N", "inchi": "", "smiles": "CCN=C(C(OC(=Nc1ccccc1)O)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.07622": "Theoretical m/z 85.076573, Mass diff 0 (0 ppm), Formula C4H9N2", "100.07591": "Theoretical m/z 100.075687, Mass diff 0 (2.23 ppm), SMILES OC(=NCC)CC, Annotation [C5H11NO-H]+, Rule of HR True", "118.08654": "Theoretical m/z 118.086256, Mass diff 0 (2.41 ppm), SMILES OC(=NCC)C(O)C, Annotation [C5H11NO2+H]+, Rule of HR True", "120.04464": "Theoretical m/z 120.044391, Mass diff 0 (2.07 ppm), SMILES OC=NC=1C=CC=CC1, Annotation [C7H7NO-H]+, Rule of HR True", "138.05496": "Theoretical m/z 138.05496, Mass diff 0 (0 ppm), SMILES OC(O)=NC=1C=CC=CC1, Annotation [C7H7NO2+H]+, Rule of HR True", "144.06567": "Theoretical m/z 144.066068, Mass diff 0 (0 ppm), Formula C6H10NO3", "164.0705": "Theoretical m/z 164.070606, Mass diff 0 (0.65 ppm), SMILES OC(=NC=1C=CC=CC1)OCC, Annotation [C9H11NO2-H]+, Rule of HR True", "192.0659": "Theoretical m/z 192.066068, Mass diff 0 (0 ppm), Formula C10H10NO3", "237.12401": "Theoretical m/z 237.123365, Mass diff 0.001 (2.72 ppm), SMILES OC(=NC=1C=CC=CC1)OC(C(O)=NCC)C, Annotation [C12H16N2O3+H]+, Rule of HR True"}, "num_peaks": "12", "compound_name": "Carbetamide", "retention_time": 3.923062, "precursor_mz": 237.1238, "collision_energy": "", "peaks_json": [[85.07622, 86855.0], [100.07591, 86451.0], [118.08654, 1614784.0], [120.04464, 757563.0], [126.01047, 99599.0], [138.05496, 54640.0], [144.06567, 88684.0], [164.0705, 45687.0], [192.0659, 2143350.0], [237.07993, 102575.0], [237.09068, 314588.0], [237.12401, 187935.0]]}, {"scannumber": "6914", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H14N3O3Cl2F3", "inchikey": "MLKCGVHIFJBRCD-JTQLQIEISA-N", "inchi": "", "smiles": "CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"87.03558": "Theoretical m/z 87.035302, Mass diff 0 (3.19 ppm), SMILES FCNC(=N)C, Annotation [C3H7FN2-3H]+, Rule of HR True", "92.03108": "Theoretical m/z 92.030633, Mass diff 0 (4.85 ppm), SMILES FC(F)NCC, Annotation [C3H7F2N-3H]+, Rule of HR True", "140.99028": "Theoretical m/z 140.990182, Mass diff 0 (0.69 ppm), SMILES FC1=CC=C(C(Cl)=C1)C, Annotation [C7H6ClF-3H]+, Rule of HR True", "168.00159": "Theoretical m/z 168.002086, Mass diff 0 (0 ppm), Formula C3HF3N3O2", "168.98535": "Theoretical m/z 168.986102, Mass diff 0 (0 ppm), Formula C3F3N2O3", "169.00954": "Theoretical m/z 169.010111, Mass diff 0 (0 ppm), Formula C8H3F2O2", "169.99326": "Theoretical m/z 169.993958, Mass diff 0 (0 ppm), Formula C5H7Cl2FN", "176.0387": "Theoretical m/z 176.039078, Mass diff 0 (0 ppm), Formula C6H8ClFN3", "176.96758": "Theoretical m/z 176.967865, Mass diff 0 (0 ppm), Formula C2HClF3N2O2", "183.0123": "Theoretical m/z 183.011987, Mass diff 0 (1.71 ppm), SMILES FC1=CC(Cl)=CC=C1NN=CC, Annotation [C8H8ClFN2-3H]+, Rule of HR True", "183.99632": "Theoretical m/z 183.995996, Mass diff 0 (1.76 ppm), SMILES O=CNC=1C=C(C(Cl)=CC1F)C, Annotation [C8H7ClFNO-3H]+, Rule of HR True", "186.01216": "Theoretical m/z 186.011646, Mass diff 0.001 (2.76 ppm), SMILES O=CNC=1C=C(C(Cl)=CC1F)C, Annotation [C8H7ClFNO-H]+, Rule of HR True", "194.98845": "Theoretical m/z 194.989207, Mass diff 0 (0 ppm), Formula C6H6Cl2FN2", "195.99637": "Theoretical m/z 195.997001, Mass diff 0 (0 ppm), Formula C4HF3N3O3", "197.00471": "Theoretical m/z 197.005025, Mass diff 0 (0 ppm), Formula C9H3F2O3", "201.9623": "Theoretical m/z 201.962112, Mass diff 0 (0.93 ppm), SMILES FC=1C=C(Cl)C(=CC1N)CCCl, Annotation [C8H8Cl2FN-5H]+, Rule of HR True", "203.97847": "Theoretical m/z 203.977762, Mass diff 0.001 (3.47 ppm), SMILES FC=1C=C(Cl)C(=CC1N)CCCl, Annotation [C8H8Cl2FN-3H]+, Rule of HR True", "204.96245": "Theoretical m/z 204.962779, Mass diff 0 (0 ppm), Formula C3HClF3N2O3", "206.02895": "Theoretical m/z 206.029656, Mass diff 0 (0 ppm), Formula C7H7ClF2N3", "207.03662": "Theoretical m/z 207.036994, Mass diff 0 (0 ppm), Formula C10H5F2N2O", "209.02803": "Theoretical m/z 209.028179, Mass diff 0 (0 ppm), Formula C10H7ClFN2", "209.99982": "Theoretical m/z 209.999066, Mass diff 0.001 (3.59 ppm), SMILES O=CN(N=CC)C1=CC=C(Cl)C=C1F, Annotation [C9H8ClFN2O-4H]+, Rule of HR False", "211.00719": "Theoretical m/z 211.006891, Mass diff 0 (1.42 ppm), SMILES O=CN(N=CC)C1=CC=C(Cl)C=C1F, Annotation [C9H8ClFN2O-3H]+, Rule of HR True", "212.01517": "Theoretical m/z 212.014716, Mass diff 0 (2.14 ppm), SMILES O=CN(N=CC)C1=CC=C(Cl)C=C1F, Annotation [C9H8ClFN2O-2H]+, Rule of HR False", "213.00288": "Theoretical m/z 213.003107, Mass diff 0 (0 ppm), Formula C9H4ClF2N2", "214.01096": "Theoretical m/z 214.011588, Mass diff 0 (0 ppm), Formula C9H3F3NO2", "215.02534": "Theoretical m/z 215.025681, Mass diff 0 (0 ppm), Formula C11H4FN2O2", "220.9915": "Theoretical m/z 220.991794, Mass diff 0 (0 ppm), Formula C10H3ClFN2O", "221.97609": "Theoretical m/z 221.976952, Mass diff 0 (0 ppm), Formula C7H3ClF2NO3", "222.00006": "Theoretical m/z 221.999071, Mass diff 0.001 (4.45 ppm), SMILES O=CN(N=CC)C=1C=C(C(Cl)=CC1F)C, Annotation [C10H10ClFN2O-6H]+, Rule of HR False", "223.00748": "Theoretical m/z 223.006896, Mass diff 0.001 (2.62 ppm), SMILES O=CN(N=CC)C=1C=C(C(Cl)=CC1F)C, Annotation [C10H10ClFN2O-5H]+, Rule of HR True", "223.9912": "Theoretical m/z 223.991459, Mass diff 0 (0 ppm), Formula C10H4ClFNO2", "226.03568": "Theoretical m/z 226.035885, Mass diff 0 (0 ppm), Formula C7H8ClF3N3", "227.98999": "Theoretical m/z 227.990684, Mass diff 0 (0 ppm), Formula C6H6Cl2F2N3", "228.9734": "Theoretical m/z 228.973557, Mass diff 0 (0 ppm), Formula C9H4Cl2FN2", "228.99759": "Theoretical m/z 228.998022, Mass diff 0 (0 ppm), Formula C9H4ClF2N2O", "229.9576": "Theoretical m/z 229.95703, Mass diff 0.001 (2.48 ppm), SMILES O=CNC=1C=C(C(Cl)=CC1F)CCCl, Annotation [C9H8Cl2FNO-5H]+, Rule of HR True", "230.96507": "Theoretical m/z 230.964855, Mass diff 0 (0.93 ppm), SMILES O=CNC=1C=C(C(Cl)=CC1F)CCCl, Annotation [C9H8Cl2FNO-4H]+, Rule of HR False", "231.97353": "Theoretical m/z 231.97268, Mass diff 0.001 (3.66 ppm), SMILES O=CNC=1C=C(C(Cl)=CC1F)CCCl, Annotation [C9H8Cl2FNO-3H]+, Rule of HR True", "232.98094": "Theoretical m/z 232.980505, Mass diff 0 (1.87 ppm), SMILES O=CNC=1C=C(C(Cl)=CC1F)CCCl, Annotation [C9H8Cl2FNO-2H]+, Rule of HR False", "233.00957": "Theoretical m/z 233.009336, Mass diff -0.001 (0 ppm), Formula C9H5ClF3N2", "233.99303": "Theoretical m/z 233.993351, Mass diff 0 (0 ppm), Formula C9H4ClF3NO", "236.01566": "Theoretical m/z 236.015924, Mass diff 0 (0 ppm), Formula C11H4F2NO3", "239.00291": "Theoretical m/z 239.003501, Mass diff 0 (0 ppm), Formula C7H6ClF2N2O3", "240.99757": "Theoretical m/z 240.998022, Mass diff 0 (0 ppm), Formula C10H4ClF2N2O", "242.00581": "Theoretical m/z 242.006334, Mass diff 0 (0 ppm), Formula C7H8Cl2F2N3", "246.98367": "Theoretical m/z 246.983575, Mass diff 0 (0.38 ppm), SMILES O=CN(N)C=1C=C(C(Cl)=CC1F)CCCl, Annotation [C9H9Cl2FN2O-3H]+, Rule of HR True", "248.98016": "Theoretical m/z 248.980928, Mass diff 0 (0 ppm), Formula C6H6Cl2F3N2O", "248.9865": "Theoretical m/z 248.986708, Mass diff 0 (0 ppm), Formula C11H3ClFN2O2", "249.9944": "Theoretical m/z 249.99502, Mass diff 0 (0 ppm), Formula C8H7Cl2FN3O", "251.02658": "Theoretical m/z 251.026823, Mass diff 0 (0 ppm), Formula C11H5F2N2O3", "252.03403": "Theoretical m/z 252.03468, Mass diff 0 (0 ppm), Formula C13H12Cl2N", "256.96869": "Theoretical m/z 256.969614, Mass diff 0 (0 ppm), Formula C7H5Cl2F2N2O2", "257.95212": "Theoretical m/z 257.951934, Mass diff 0 (0.72 ppm), SMILES O=CNC=1C=C(C(Cl)=CC1F)CC(Cl)C=O, Annotation [C10H8Cl2FNO2-5H]+, Rule of HR True", "258.96021": "Theoretical m/z 258.959764, Mass diff 0 (1.72 ppm), SMILES O=C(OC)C(Cl)CC1=CC(N)=C(F)C=C1Cl, Annotation [C10H10Cl2FNO2-6H]+, Rule of HR False", "261.00433": "Theoretical m/z 261.003692, Mass diff 0.001 (2.45 ppm), SMILES O=C(NC1=CC=C(Cl)C=C1F)N(CC)C(F)F, Annotation [C10H10ClF3N2O-5H]+, Rule of HR True", "268.00449": "Theoretical m/z 268.005585, Mass diff 0.001 (0 ppm), Formula C8H9Cl2FN3O2", "268.99277": "Theoretical m/z 268.993623, Mass diff 0 (0 ppm), Formula C13H8Cl2FO", "270.00082": "Theoretical m/z 270.001249, Mass diff 0 (0 ppm), Formula C8H8Cl2F2N3O", "270.98462": "Theoretical m/z 270.983581, Mass diff 0.001 (3.84 ppm), SMILES O=CN(N=CC)C=1C=C(C(Cl)=CC1F)CCCl, Annotation [C11H11Cl2FN2O-5H]+, Rule of HR True", "274.97897": "Theoretical m/z 274.978484, Mass diff 0 (1.77 ppm), SMILES O=C(OC)C(Cl)CC1=CC(NN)=C(F)C=C1Cl, Annotation [C10H11Cl2FN2O2-5H]+, Rule of HR True", "276.97476": "Theoretical m/z 276.975842, Mass diff 0.001 (0 ppm), Formula C7H6Cl2F3N2O2", "280.02945": "Theoretical m/z 280.030195, Mass diff 0.001 (2.66 ppm), SMILES O=C(OCC)C(Cl)CC1=CC(N)=C(F)C=C1Cl, Annotation [C11H12Cl2FNO2+H]+, Rule of HR True", "282.0246": "Theoretical m/z 282.025258, Mass diff 0 (0 ppm), Formula C14H11Cl2FN", "284.96323": "Theoretical m/z 284.963386, Mass diff 0 (0 ppm), Formula C11H4Cl2FN2O2", "288.01102": "Theoretical m/z 288.01012, Mass diff 0.001 (3.12 ppm), SMILES O=C1NC(=NN1C=2C=C(C(Cl)=CC2F)CCCl)C, Annotation [C11H10Cl2FN3O-H]+, Rule of HR True", "290.03122": "Theoretical m/z 290.030262, Mass diff 0.001 (3.3 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(C(Cl)=CC2F)C, Annotation [C11H9ClF3N3O-H]+, Rule of HR True", "298.97946": "Theoretical m/z 298.978484, Mass diff 0.001 (3.26 ppm), SMILES O=CN(N=CC)C=1C=C(C(Cl)=CC1F)CC(Cl)C=O, Annotation [C12H11Cl2FN2O2-5H]+, Rule of HR True", "302.03137": "Theoretical m/z 302.030237, Mass diff 0.001 (3.75 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(C(Cl)=CC2F)CC, Annotation [C12H11ClF3N3O-3H]+, Rule of HR True", "303.0383": "Theoretical m/z 303.038062, Mass diff 0 (0.79 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(C(Cl)=CC2F)CC, Annotation [C12H11ClF3N3O-2H]+, Rule of HR False", "316.00662": "Theoretical m/z 316.006728, Mass diff 0 (0 ppm), Formula C9H10Cl2F2N3O3", "318.00153": "Theoretical m/z 318.000696, Mass diff 0.001 (2.62 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C2=CC=C(Cl)C(=C2)CCCl, Annotation [C12H11Cl2F2N3O-3H]+, Rule of HR True", "320.04153": "Theoretical m/z 320.042051, Mass diff 0 (0 ppm), Formula C14H14Cl2F2NO", "338.00775": "Theoretical m/z 338.006916, Mass diff 0.001 (2.47 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C=2C=C(C(Cl)=CC2F)CCCl, Annotation [C12H10Cl2F3N3O-H]+, Rule of HR True", "345.99677": "Theoretical m/z 345.99563, Mass diff 0.001 (3.3 ppm), SMILES O=CC(Cl)CC1=CC(=CC=C1Cl)N2N=C(N(C2=O)C(F)F)C, Annotation [C13H11Cl2F2N3O2-3H]+, Rule of HR True"}, "num_peaks": "75", "compound_name": "Carfentrazone ethyl", "retention_time": 6.898515, "precursor_mz": 412.045, "collision_energy": "", "peaks_json": [[87.03558, 102938.0], [92.03108, 108928.0], [140.99028, 93612.0], [168.00159, 290200.0], [168.98535, 256214.0], [169.00954, 280404.0], [169.99326, 139258.0], [176.0387, 59605.0], [176.96758, 2472383.0], [183.0123, 267100.0], [183.99632, 81664.0], [186.01216, 91455.0], [194.98845, 136592.0], [195.99637, 326492.0], [197.00471, 52605.0], [201.9623, 154634.0], [203.97847, 447264.0], [204.96245, 1832179.0], [206.02895, 92544.0], [207.03662, 171674.0], [209.02803, 384802.0], [209.99982, 113563.0], [211.00719, 472507.0], [212.01517, 66934.0], [213.00288, 312895.0], [214.01096, 51013.0], [215.02534, 55407.0], [220.9915, 95557.0], [221.97609, 58129.0], [222.00006, 181469.0], [223.00748, 74723.0], [223.9912, 1241221.0], [226.03568, 99992.0], [227.98999, 56867.0], [228.9734, 154659.0], [228.99759, 849754.0], [229.9576, 291454.0], [230.96507, 364210.0], [231.97353, 309882.0], [232.98094, 634253.0], [233.00957, 190835.0], [233.99303, 64478.0], [236.01566, 50291.0], [239.00291, 79639.0], [240.99757, 4112806.0], [242.00581, 1279056.0], [246.98367, 100821.0], [248.98016, 83634.0], [248.9865, 48588.0], [249.9944, 112801.0], [251.02658, 84213.0], [252.03403, 720952.0], [256.96869, 464576.0], [257.95212, 120792.0], [258.96021, 600062.0], [261.00433, 486923.0], [268.00449, 56951.0], [268.99277, 70677.0], [270.00082, 107703.0], [270.98462, 439596.0], [274.97897, 367619.0], [276.97476, 4577284.0], [280.02945, 127558.0], [282.0246, 396042.0], [284.96323, 117220.0], [288.01102, 1894072.0], [290.03122, 319337.0], [298.97946, 85527.0], [302.03137, 2921622.0], [303.0383, 181158.0], [316.00662, 372285.0], [318.00153, 484008.0], [320.04153, 58056.0], [338.00775, 410316.0], [345.99677, 2618042.0]]}, {"scannumber": "5260", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C18H14N5O2BrCl2", "inchikey": "PSOVNZZNOMJUBI-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"283.92297": "Theoretical m/z 283.922088, Mass diff 0.001 (3.11 ppm), SMILES ClC1=CC=CN=C1NC(=CCBr)C(=N)O, Annotation [C9H9BrClN3O-5H]+, Rule of HR True", "450.93774": "Theoretical m/z 450.935882, Mass diff 0.002 (4.12 ppm), SMILES ClC1=CC=CN=C1NC(=CCBr)C(O)=NC2=C(Cl)C=C(C=C2C(=N)O)C, Annotation [C17H15BrCl2N4O2-5H]+, Rule of HR True", "463.96796": "Theoretical m/z 463.967487, Mass diff 0 (1.02 ppm), SMILES ClC=1C=C(C=C(C(O)=NC)C1N=CC2=CC(Br)=NN2C3=NC=CC=C3Cl)C, Annotation [C18H14BrCl2N5O-H]+, Rule of HR True", "481.97949": "Theoretical m/z 481.978071, Mass diff 0.001 (2.94 ppm), SMILES ClC=1C=C(C=C(C(O)=NC)C1N=C(O)C2=CC(Br)=NN2C3=NC=CC=C3Cl)C, Annotation [C18H14BrCl2N5O2+H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Chlorantraniliprole", "retention_time": 6.589343, "precursor_mz": 481.9785, "collision_energy": "", "peaks_json": [[283.92297, 5735542.0], [450.93774, 4907420.0], [463.96796, 71876.0], [481.97949, 1501231.0]]}, {"scannumber": "9818", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H8N4Cl2", "inchikey": "UXADOQPNKNTIHB-UHFFFAOYSA-N", "inchi": "", "smiles": "Clc1ccccc1c1nnc(nn1)c1ccccc1Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.0498": "Theoretical m/z 92.050024, Mass diff 0 (0 ppm), Formula C6H6N", "102.03414": "Theoretical m/z 102.033822, Mass diff 0 (3.11 ppm), SMILES N=CC=1C=CC=CC1, Annotation [C7H7N-3H]+, Rule of HR True", "130.04021": "Theoretical m/z 130.039972, Mass diff 0 (1.83 ppm), SMILES N=NC(=N)C=1C=CC=CC1, Annotation [C7H7N3-3H]+, Rule of HR True", "138.01057": "Theoretical m/z 138.010502, Mass diff 0 (0.5 ppm), SMILES ClC=1C=CC=CC1C=N, Annotation [C7H6ClN-H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Clofentezine", "retention_time": 7.397017, "precursor_mz": 303.0207, "collision_energy": "", "peaks_json": [[92.0498, 44376.0], [102.03414, 382179.0], [120.04463, 495630.0], [130.04021, 2783936.0], [138.01057, 2494447.0]]}, {"scannumber": "5584", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H15N3", "inchikey": "HAORKNGNJCEJBX-UHFFFAOYSA-N", "inchi": "", "smiles": "Cc1nc(Nc2ccccc2)nc(c1)C1CC1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5", "91.05441": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "92.06236": "Theoretical m/z 92.062054, Mass diff 0 (3.33 ppm), SMILES C(=CC1CC1)CC, Annotation [C7H12-4H]+, Rule of HR False", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "94.06544": "Theoretical m/z 94.065123, Mass diff 0 (3.38 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N+H]+, Rule of HR True", "104.04984": "Theoretical m/z 104.049478, Mass diff 0 (3.48 ppm), SMILES C=1C=CC(=CC1)NC, Annotation [C7H9N-3H]+, Rule of HR True", "105.04505": "Theoretical m/z 105.044725, Mass diff 0 (3.1 ppm), SMILES N=1C=NC(=CC1C)C, Annotation [C6H8N2-3H]+, Rule of HR True", "106.06546": "Theoretical m/z 106.065126, Mass diff 0 (3.15 ppm), SMILES N=C(C=CC1CC1)C, Annotation [C7H11N-3H]+, Rule of HR True", "107.07314": "Theoretical m/z 107.072951, Mass diff 0 (1.77 ppm), SMILES N=C(C=CC1CC1)C, Annotation [C7H11N-2H]+, Rule of HR False", "108.08108": "Theoretical m/z 108.080776, Mass diff 0 (2.81 ppm), SMILES N=C(C=CC1CC1)C, Annotation [C7H11N-H]+, Rule of HR True", "109.0761": "Theoretical m/z 109.076025, Mass diff 0 (0.69 ppm), SMILES N=1C=NC(=CC1C)C, Annotation [C6H8N2+H]+, Rule of HR True", "115.0543": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "116.0497": "Theoretical m/z 116.050024, Mass diff 0 (0 ppm), Formula C8H6N", "117.0574": "Theoretical m/z 117.057299, Mass diff 0 (0.87 ppm), SMILES N(=C)C(=CCC)C1CC1, Annotation [C8H13N-6H]+, Rule of HR False", "118.05279": "Theoretical m/z 118.05255, Mass diff 0 (2.03 ppm), SMILES N=1C=NC(=CC1)C2CC2, Annotation [C7H8N2-2H]+, Rule of HR False", "118.06519": "Theoretical m/z 118.065124, Mass diff 0 (0.56 ppm), SMILES N(=C)C(=CCC)C1CC1, Annotation [C8H13N-5H]+, Rule of HR True", "119.06059": "Theoretical m/z 119.060375, Mass diff 0 (1.81 ppm), SMILES N=1C=NC(=CC1)C2CC2, Annotation [C7H8N2-H]+, Rule of HR True", "123.09197": "Theoretical m/z 123.091673, Mass diff 0 (2.41 ppm), SMILES N=1C=NC(=CC1C)CC, Annotation [C7H10N2+H]+, Rule of HR True", "130.06528": "Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N", "131.06062": "Theoretical m/z 131.060373, Mass diff 0 (1.89 ppm), SMILES N(=CNC=1C=CC=CC1)C, Annotation [C8H10N2-3H]+, Rule of HR True", "133.07642": "Theoretical m/z 133.076023, Mass diff 0 (2.99 ppm), SMILES N=1C=NC(=CC1C)C2CC2, Annotation [C8H10N2-H]+, Rule of HR True", "142.06525": "Theoretical m/z 142.065674, Mass diff 0 (0 ppm), Formula C10H8N", "143.06068": "Theoretical m/z 143.060373, Mass diff 0 (2.15 ppm), SMILES N(C=C)=CNC=1C=CC=CC1, Annotation [C9H10N2-3H]+, Rule of HR True", "143.07307": "Theoretical m/z 143.073499, Mass diff 0 (0 ppm), Formula C10H9N", "144.05594": "Theoretical m/z 144.055627, Mass diff 0 (2.17 ppm), SMILES N=C(N=C)NC=1C=CC=CC1, Annotation [C8H9N3-3H]+, Rule of HR True", "144.08099": "Theoretical m/z 144.081324, Mass diff 0 (0 ppm), Formula C10H10N", "145.07616": "Theoretical m/z 145.076023, Mass diff 0 (0.95 ppm), SMILES N(C=C)=CNC=1C=CC=CC1, Annotation [C9H10N2-H]+, Rule of HR True", "156.06825": "Theoretical m/z 156.068203, Mass diff 0 (0.3 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C, Annotation [C10H12N2-4H]+, Rule of HR False", "157.0762": "Theoretical m/z 157.076028, Mass diff 0 (1.09 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C, Annotation [C10H12N2-3H]+, Rule of HR True", "158.0838": "Theoretical m/z 158.083843, Mass diff 0 (0.27 ppm), SMILES N(=C(C)C)CNC=1C=CC=CC1, Annotation [C10H14N2-4H]+, Rule of HR False", "159.09198": "Theoretical m/z 159.091668, Mass diff 0 (1.96 ppm), SMILES N(=C(C)C)CNC=1C=CC=CC1, Annotation [C10H14N2-3H]+, Rule of HR True", "165.06998": "Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9", "167.06058": "Theoretical m/z 167.060368, Mass diff 0 (1.27 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)CC, Annotation [C11H14N2-7H]+, Rule of HR True", "168.06824": "Theoretical m/z 168.068193, Mass diff 0 (0.28 ppm), SMILES N(C=CCC)=CNC=1C=CC=CC1, Annotation [C11H14N2-6H]+, Rule of HR False", "168.08109": "Theoretical m/z 168.081324, Mass diff 0 (0 ppm), Formula C12H10N", "169.07619": "Theoretical m/z 169.076018, Mass diff 0 (1.01 ppm), SMILES N(C=CCC)=CNC=1C=CC=CC1, Annotation [C11H14N2-5H]+, Rule of HR True", "171.09184": "Theoretical m/z 171.091668, Mass diff 0 (1 ppm), SMILES N(=CNC=1C=CC=CC1)CC2CC2, Annotation [C11H14N2-3H]+, Rule of HR True", "181.07629": "Theoretical m/z 181.076024, Mass diff 0 (1.47 ppm), SMILES N(=CNC=1C=CC=CC1)C(=CCC)C, Annotation [C12H16N2-7H]+, Rule of HR True", "182.08427": "Theoretical m/z 182.083843, Mass diff 0 (2.34 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C2CC2, Annotation [C12H14N2-4H]+, Rule of HR False", "182.09682": "Theoretical m/z 182.096974, Mass diff 0 (0 ppm), Formula C13H12N", "183.09206": "Theoretical m/z 183.091668, Mass diff 0 (2.14 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C2CC2, Annotation [C12H14N2-3H]+, Rule of HR True", "184.08746": "Theoretical m/z 184.086918, Mass diff 0.001 (2.95 ppm), SMILES N=1C=CC(=NC1NC=2C=CC=CC2)C, Annotation [C11H11N3-H]+, Rule of HR True", "185.10789": "Theoretical m/z 185.107319, Mass diff 0.001 (3.09 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C2CC2, Annotation [C12H14N2-H]+, Rule of HR True", "193.07642": "Theoretical m/z 193.076573, Mass diff 0 (0 ppm), Formula C13H9N2", "196.08698": "Theoretical m/z 196.086923, Mass diff 0 (0.29 ppm), SMILES N=1C(=NC(=CC1C)C)NC=2C=CC=CC2, Annotation [C12H13N3-3H]+, Rule of HR True", "198.10313": "Theoretical m/z 198.102573, Mass diff 0.001 (2.81 ppm), SMILES N=1C(=NC(=CC1C)C)NC=2C=CC=CC2, Annotation [C12H13N3-H]+, Rule of HR True", "207.0918": "Theoretical m/z 207.092223, Mass diff 0 (0 ppm), Formula C14H11N2", "209.10754": "Theoretical m/z 209.107873, Mass diff 0 (0 ppm), Formula C14H13N2", "210.10275": "Theoretical m/z 210.102573, Mass diff 0 (0.84 ppm), SMILES N=1C=CC(=NC1NC=2C=CC=CC2)C3CC3, Annotation [C13H13N3-H]+, Rule of HR True", "224.1181": "Theoretical m/z 224.118772, Mass diff 0 (0 ppm), Formula C14H14N3", "226.13422": "Theoretical m/z 226.133879, Mass diff 0 (1.51 ppm), SMILES N=1C(=NC(=CC1C)C2CC2)NC=3C=CC=CC3, Annotation [C14H15N3+H]+, Rule of HR True"}, "num_peaks": "68", "compound_name": "Cyprodinil", "retention_time": 6.669806, "precursor_mz": 226.1346, "collision_energy": "", "peaks_json": [[89.03882, 250501.0], [91.05441, 2917894.0], [92.0498, 1832571.0], [92.06236, 327913.0], [93.0575, 7935048.0], [94.06544, 551055.0], [95.04928, 1106686.0], [104.04984, 578815.0], [105.04505, 751939.0], [106.06546, 3348979.0], [107.07314, 366893.0], [108.06842, 996581.0], [108.08108, 5293585.0], [109.0761, 435067.0], [110.06014, 373109.0], [115.0543, 340655.0], [116.0497, 1136768.0], [117.0574, 936588.0], [118.05279, 3491518.0], [118.06519, 1243941.0], [119.06059, 3591314.0], [123.09197, 364628.0], [124.07606, 563904.0], [130.06528, 192669.0], [131.06062, 1377516.0], [132.06825, 1932161.0], [133.07642, 3211678.0], [134.06033, 753709.0], [142.06525, 584454.0], [143.06068, 1778669.0], [143.07307, 279220.0], [144.05594, 191195.0], [144.08099, 2104332.0], [145.07616, 882365.0], [149.07127, 251299.0], [156.06825, 169085.0], [157.0762, 329957.0], [158.0838, 181590.0], [159.09198, 963940.0], [165.06998, 303199.0], [167.06058, 287846.0], [167.07332, 1087973.0], [168.06824, 523675.0], [168.08109, 896186.0], [169.07619, 575896.0], [170.0843, 204211.0], [171.09184, 238779.0], [181.07629, 410526.0], [182.08427, 540213.0], [182.09682, 243307.0], [183.07944, 619682.0], [183.09206, 583441.0], [184.08746, 1461784.0], [185.10789, 904319.0], [191.07323, 180652.0], [193.07642, 1237200.0], [194.08405, 2240403.0], [196.08698, 270421.0], [197.09528, 430359.0], [198.10313, 664506.0], [199.11044, 212040.0], [207.0918, 1191559.0], [208.10004, 666594.0], [209.10754, 1644491.0], [210.10275, 4134248.0], [211.11086, 699261.0], [224.1181, 912227.0], [226.13422, 16374867.0]]}, {"scannumber": "614", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C6H10N6", "inchikey": "LVQDKIWDGQRHTE-UHFFFAOYSA-N", "inchi": "", "smiles": "N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.05116": "Theoretical m/z 85.050869, Mass diff 0 (3.43 ppm), SMILES N=CNC(=N)N, Annotation [C2H6N4-H]+, Rule of HR True", "108.05576": "Theoretical m/z 108.05562, Mass diff 0 (1.3 ppm), SMILES N=CNC=NC1CC1, Annotation [C5H9N3-3H]+, Rule of HR True", "110.0462": "Theoretical m/z 110.046121, Mass diff 0 (0.72 ppm), SMILES N=C1NC(=N)NCN1, Annotation [C3H7N5-3H]+, Rule of HR True", "125.08251": "Theoretical m/z 125.082172, Mass diff 0 (2.7 ppm), SMILES N=CNC(=NC1CC1)N, Annotation [C5H10N4-H]+, Rule of HR True", "127.07288": "Theoretical m/z 127.072668, Mass diff 0 (1.67 ppm), SMILES N=C1NC(=N)NC(=N)N1, Annotation [C3H6N6+H]+, Rule of HR True", "139.07271": "Theoretical m/z 139.072666, Mass diff 0 (0.32 ppm), SMILES N=C1NC(=N)NC(=NC)N1, Annotation [C4H8N6-H]+, Rule of HR True", "150.0777": "Theoretical m/z 150.077417, Mass diff 0 (1.89 ppm), SMILES N=CNC(=N)NC=NC1CC1, Annotation [C6H11N5-3H]+, Rule of HR True", "151.07292": "Theoretical m/z 151.072671, Mass diff 0 (1.65 ppm), SMILES N=C1NC(=N)NC(=NCC)N1, Annotation [C5H10N6-3H]+, Rule of HR True", "167.10403": "Theoretical m/z 167.103971, Mass diff 0 (0.35 ppm), SMILES N=C1NC(=N)NC(=NC2CC2)N1, Annotation [C6H10N6+H]+, Rule of HR True"}, "num_peaks": "9", "compound_name": "Cyromazine_1", "retention_time": 0.7250975, "precursor_mz": 167.1043, "collision_energy": "", "peaks_json": [[85.05116, 569181.0], [108.05576, 364390.0], [110.0462, 49797.0], [125.08251, 178192.0], [127.07288, 24861.0], [139.07271, 33973.0], [150.0777, 7345.0], [151.07292, 35146.0], [167.10403, 54669.0]]}, {"scannumber": "946", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C6H10N6", "inchikey": "LVQDKIWDGQRHTE-UHFFFAOYSA-N", "inchi": "", "smiles": "N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"108.05576": "Theoretical m/z 108.05562, Mass diff 0 (1.3 ppm), SMILES N=CNC=NC1CC1, Annotation [C5H9N3-3H]+, Rule of HR True", "110.0462": "Theoretical m/z 110.046121, Mass diff 0 (0.72 ppm), SMILES N=C1NC(=N)NCN1, Annotation [C3H7N5-3H]+, Rule of HR True", "112.06189": "Theoretical m/z 112.061771, Mass diff 0 (1.06 ppm), SMILES N=C1NC(=N)NCN1, Annotation [C3H7N5-H]+, Rule of HR True", "125.08213": "Theoretical m/z 125.082172, Mass diff 0 (0.34 ppm), SMILES N=CNC(=NC1CC1)N, Annotation [C5H10N4-H]+, Rule of HR True", "127.07288": "Theoretical m/z 127.072668, Mass diff 0 (1.67 ppm), SMILES N=C1NC(=N)NC(=N)N1, Annotation [C3H6N6+H]+, Rule of HR True", "139.07271": "Theoretical m/z 139.072666, Mass diff 0 (0.32 ppm), SMILES N=C1NC(=N)NC(=NC)N1, Annotation [C4H8N6-H]+, Rule of HR True", "150.0777": "Theoretical m/z 150.077417, Mass diff 0 (1.89 ppm), SMILES N=CNC(=N)NC=NC1CC1, Annotation [C6H11N5-3H]+, Rule of HR True", "151.07292": "Theoretical m/z 151.072671, Mass diff 0 (1.65 ppm), SMILES N=C1NC(=N)NC(=NCC)N1, Annotation [C5H10N6-3H]+, Rule of HR True", "167.10403": "Theoretical m/z 167.103971, Mass diff 0 (0.35 ppm), SMILES N=C1NC(=N)NC(=NC2CC2)N1, Annotation [C6H10N6+H]+, Rule of HR True"}, "num_peaks": "12", "compound_name": "Cyromazine_2", "retention_time": 1.057777, "precursor_mz": 167.1043, "collision_energy": "", "peaks_json": [[85.05095, 323769.0], [100.08693, 5287.0], [108.05576, 223896.0], [110.0462, 30873.0], [112.06189, 4105.0], [125.08213, 95867.0], [127.07288, 11228.0], [139.07271, 22781.0], [150.0777, 3986.0], [151.07292, 16833.0], [155.01868, 3272.0], [167.10403, 33800.0]]}, {"scannumber": "7508", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C19H22N2O3", "inchikey": "WXUZAHCNPWONDH-UHFFFAOYSA-N", "inchi": "", "smiles": "CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.038575, Mass diff 0 (2.75 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-3H]+, Rule of HR True", "91.05465": "Theoretical m/z 91.054226, Mass diff 0 (4.66 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "106.06546": "Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N", "116.0497": "Theoretical m/z 116.050024, Mass diff 0 (0 ppm), Formula C8H6N", "117.0574": "Theoretical m/z 117.057849, Mass diff 0 (0 ppm), Formula C8H7N", "118.06553": "Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N", "121.06523": "Theoretical m/z 121.064792, Mass diff 0 (3.62 ppm), SMILES O(C1=CC=CC(=C1)C)C, Annotation [C8H10O-H]+, Rule of HR True", "121.08883": "Theoretical m/z 121.089149, Mass diff 0 (0 ppm), Formula C8H11N", "134.06033": "Theoretical m/z 134.060047, Mass diff 0 (2.11 ppm), SMILES N(OC)=CC=1C=CC=CC1, Annotation [C8H9NO-H]+, Rule of HR True", "135.08092": "Theoretical m/z 135.080448, Mass diff 0 (3.5 ppm), SMILES O(C1=CC(=CC=C1C)C)C, Annotation [C9H12O-H]+, Rule of HR True", "148.07639": "Theoretical m/z 148.075687, Mass diff 0.001 (4.75 ppm), SMILES OC(=NC)CC=1C=CC=CC1, Annotation [C9H11NO-H]+, Rule of HR True", "148.11266": "Theoretical m/z 148.112074, Mass diff 0.001 (3.96 ppm), SMILES N(=CCC=1C=CC=CC1C)C, Annotation [C10H13N+H]+, Rule of HR True", "178.0778": "Theoretical m/z 178.07825, Mass diff 0 (0 ppm), Formula C14H10", "180.08119": "Theoretical m/z 180.081324, Mass diff 0 (0 ppm), Formula C13H10N", "193.10162": "Theoretical m/z 193.101725, Mass diff 0 (0 ppm), Formula C15H13", "194.09711": "Theoretical m/z 194.096974, Mass diff -0.001 (0 ppm), Formula C14H12N", "195.10469": "Theoretical m/z 195.104799, Mass diff 0 (0 ppm), Formula C14H13N", "221.09647": "Theoretical m/z 221.09664, Mass diff 0 (0 ppm), Formula C16H13O", "222.09152": "Theoretical m/z 222.091889, Mass diff 0 (0 ppm), Formula C15H12NO"}, "num_peaks": "25", "compound_name": "Dimoxystrobin", "retention_time": 7.042906, "precursor_mz": 327.1716, "collision_energy": "", "peaks_json": [[89.03882, 267042.0], [91.05465, 1177860.0], [92.05786, 587003.0], [106.06546, 63219.0], [116.0497, 4287725.0], [117.0574, 207058.0], [118.06553, 62777.0], [121.06523, 72575.0], [121.08883, 992075.0], [122.09238, 613096.0], [134.06033, 559976.0], [135.08092, 79495.0], [148.07639, 58182.0], [148.11266, 1671042.0], [149.10986, 53924.0], [149.11572, 1649040.0], [178.0778, 129475.0], [180.08119, 207313.0], [193.10162, 104706.0], [194.09711, 110382.0], [195.10469, 223024.0], [221.09647, 105352.0], [222.09152, 46935.0], [222.10396, 66419.0], [223.09956, 719508.0]]}, {"scannumber": "11226", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C20H22N2O", "inchikey": "DMYHGDXADUDKCQ-UHFFFAOYSA-N", "inchi": "", "smiles": "CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05441": "Theoretical m/z 91.054226, Mass diff 0 (2.03 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "103.05439": "Theoretical m/z 103.054223, Mass diff 0 (1.62 ppm), SMILES C=1C=CC(=CC1)CC, Annotation [C8H10-3H]+, Rule of HR True", "104.04984": "Theoretical m/z 104.049472, Mass diff 0 (3.53 ppm), SMILES N(=C)C=1C=CC=CC1, Annotation [C7H7N-H]+, Rule of HR True", "105.0702": "Theoretical m/z 105.069873, Mass diff 0 (3.11 ppm), SMILES C=1C=CC(=CC1)CC, Annotation [C8H10-H]+, Rule of HR True", "117.06997": "Theoretical m/z 117.069879, Mass diff 0 (0.78 ppm), SMILES C=1C=CC(=CC1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True", "119.0857": "Theoretical m/z 119.085529, Mass diff 0 (1.44 ppm), SMILES C=1C=CC(=CC1)C(C)C, Annotation [C9H12-H]+, Rule of HR True", "121.10135": "Theoretical m/z 121.101179, Mass diff 0 (1.41 ppm), SMILES C=1C=CC(=CC1)C(C)C, Annotation [C9H12+H]+, Rule of HR True", "130.02905": "Theoretical m/z 130.028747, Mass diff 0 (2.33 ppm), SMILES OCC=1C=CC=CC1N=C, Annotation [C8H9NO-5H]+, Rule of HR True", "131.08598": "Theoretical m/z 131.085519, Mass diff 0 (3.52 ppm), SMILES C=1C=C(C=CC1C)C(C)C, Annotation [C10H14-3H]+, Rule of HR True", "133.10155": "Theoretical m/z 133.101169, Mass diff 0 (2.86 ppm), SMILES C=1C=CC(=CC1)C(C)(C)C, Annotation [C10H14-H]+, Rule of HR True", "145.10149": "Theoretical m/z 145.101175, Mass diff 0 (2.17 ppm), SMILES C=1C=C(C=CC1CC)C(C)C, Annotation [C11H16-3H]+, Rule of HR True", "146.10915": "Theoretical m/z 146.109, Mass diff 0 (1.03 ppm), SMILES C=1C=C(C=CC1C)C(C)(C)C, Annotation [C11H16-2H]+, Rule of HR False", "147.05551": "Theoretical m/z 147.055296, Mass diff 0 (1.46 ppm), SMILES OC1=NC=NC=2C=CC=CC12, Annotation [C8H6N2O+H]+, Rule of HR True", "161.13255": "Theoretical m/z 161.13248, Mass diff 0 (0.43 ppm), SMILES C=1C=C(C=CC1CC)C(C)(C)C, Annotation [C12H18-H]+, Rule of HR True"}, "num_peaks": "14", "compound_name": "Fenazaquin", "retention_time": 7.977267, "precursor_mz": 307.1813, "collision_energy": "", "peaks_json": [[91.05441, 199112.0], [103.05439, 73599.0], [104.04984, 64148.0], [105.0702, 917430.0], [117.06997, 181158.0], [119.0857, 712865.0], [121.10135, 76811.0], [130.02905, 143777.0], [131.08598, 2116571.0], [133.10155, 485868.0], [145.10149, 85536.0], [146.10915, 4833104.0], [147.05551, 4215618.0], [161.13255, 3701806.0]]}, {"scannumber": "5614", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H17NO2Cl2", "inchikey": "VDLGAVXLJYLFDH-UHFFFAOYSA-N", "inchi": "", "smiles": "OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"95.01299": "Theoretical m/z 95.013304, Mass diff 0 (0 ppm), Formula C5H3O2", "97.10134": "Theoretical m/z 97.101177, Mass diff 0 (1.68 ppm), SMILES CC1CCCCC1, Annotation [C7H14-H]+, Rule of HR True", "142.00574": "Theoretical m/z 142.00542, Mass diff 0 (2.25 ppm), SMILES ClC1=CC(N)=CC=C1O, Annotation [C6H6ClNO-H]+, Rule of HR True", "143.0134": "Theoretical m/z 143.013245, Mass diff 0 (1.08 ppm), SMILES ClC1=CC(N)=CC=C1O, Annotation [C6H6ClNO]+, Rule of HR False", "177.98218": "Theoretical m/z 177.982099, Mass diff 0 (0.45 ppm), SMILES ClC1=C(Cl)C(N)=CC=C1O, Annotation [C6H5Cl2NO+H]+, Rule of HR True", "302.0708": "Theoretical m/z 302.070906, Mass diff 0 (0.35 ppm), SMILES ClC1=C(Cl)C(N=C(O)C2(C)CCCCC2)=CC=C1O, Annotation [C14H17Cl2NO2+H]+, Rule of HR True"}, "num_peaks": "6", "compound_name": "Fenhexamid", "retention_time": 6.679342, "precursor_mz": 302.0717, "collision_energy": "", "peaks_json": [[95.01299, 111399.0], [97.10134, 4001007.0], [142.00574, 470488.0], [143.0134, 1124724.0], [177.98218, 162637.0], [302.0708, 49250.0]]}, {"scannumber": "10879", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C24H27N3O4", "inchikey": "YYJNOYZRYGDPNH-UHFFFAOYSA-N", "inchi": "", "smiles": "Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.04206": "Theoretical m/z 91.042199, Mass diff 0 (0 ppm), Formula C6H5N", "91.05465": "Theoretical m/z 91.054226, Mass diff 0 (4.66 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "92.0498": "Theoretical m/z 92.050024, Mass diff 0 (0 ppm), Formula C6H6N", "93.05774": "Theoretical m/z 93.057849, Mass diff 0 (0 ppm), Formula C6H7N", "94.04169": "Theoretical m/z 94.041314, Mass diff 0 (4 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O]+, Rule of HR False", "95.04953": "Theoretical m/z 95.049139, Mass diff 0 (4.11 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "95.06073": "Theoretical m/z 95.060375, Mass diff 0 (3.74 ppm), SMILES N1=C(C=CN1C)C, Annotation [C5H8N2-H]+, Rule of HR True", "96.06861": "Theoretical m/z 96.0682, Mass diff 0 (4.27 ppm), SMILES N1=C(C=CN1C)C, Annotation [C5H8N2]+, Rule of HR False", "104.04984": "Theoretical m/z 104.050024, Mass diff 0 (0 ppm), Formula C7H6N", "106.06546": "Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N", "107.02439": "Theoretical m/z 107.024538, Mass diff 0 (0 ppm), Formula C5H3N2O", "107.04966": "Theoretical m/z 107.049139, Mass diff 0.001 (4.87 ppm), SMILES O=CC=1C=CC=CC1, Annotation [C7H6O+H]+, Rule of HR True", "109.04004": "Theoretical m/z 109.039636, Mass diff 0 (3.71 ppm), SMILES OC1=CC(=NN1C)C, Annotation [C5H8N2O-3H]+, Rule of HR True", "110.0716": "Theoretical m/z 110.071275, Mass diff 0 (2.95 ppm), SMILES N=CCC(=NNC)C, Annotation [C5H11N3-3H]+, Rule of HR True", "111.05566": "Theoretical m/z 111.055286, Mass diff 0 (3.37 ppm), SMILES OC1=CC(=NN1C)C, Annotation [C5H8N2O-H]+, Rule of HR True", "113.07121": "Theoretical m/z 113.070936, Mass diff 0 (2.42 ppm), SMILES OC1=CC(=NN1C)C, Annotation [C5H8N2O+H]+, Rule of HR True", "117.05774": "Theoretical m/z 117.057849, Mass diff 0 (0 ppm), Formula C8H7N", "118.06553": "Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N", "121.07632": "Theoretical m/z 121.076573, Mass diff 0 (0 ppm), Formula C7H9N2", "122.07175": "Theoretical m/z 122.07127, Mass diff 0 (3.94 ppm), SMILES N=CC1=CN(N=C1C)C, Annotation [C6H9N3-H]+, Rule of HR True", "123.05569": "Theoretical m/z 123.055292, Mass diff 0 (3.24 ppm), SMILES OC1=C(C(=NN1C)C)C, Annotation [C6H10N2O-3H]+, Rule of HR True", "124.05084": "Theoretical m/z 124.050536, Mass diff 0 (2.45 ppm), SMILES ON=CCC(=NNC)C, Annotation [C5H11N3O-5H]+, Rule of HR True", "129.05762": "Theoretical m/z 129.057849, Mass diff 0 (0 ppm), Formula C9H7N", "130.06567": "Theoretical m/z 130.065674, Mass diff -0.001 (0 ppm), Formula C9H8N", "131.06102": "Theoretical m/z 131.060923, Mass diff -0.001 (0 ppm), Formula C8H7N2", "131.07352": "Theoretical m/z 131.073499, Mass diff -0.001 (0 ppm), Formula C9H9N", "132.04504": "Theoretical m/z 132.044397, Mass diff 0.001 (4.87 ppm), SMILES N(OCC=1C=CC=CC1)=C, Annotation [C8H9NO-3H]+, Rule of HR True", "135.04469": "Theoretical m/z 135.044056, Mass diff 0.001 (4.7 ppm), SMILES O=C(O)C1=CC=C(C=C1)C, Annotation [C8H8O2-H]+, Rule of HR True", "136.05099": "Theoretical m/z 136.050531, Mass diff 0 (3.38 ppm), SMILES ON=CC1=CN(N=C1C)C, Annotation [C6H9N3O-3H]+, Rule of HR True", "138.06671": "Theoretical m/z 138.066181, Mass diff 0.001 (3.83 ppm), SMILES ON=CC1=CN(N=C1C)C, Annotation [C6H9N3O-H]+, Rule of HR True", "139.0507": "Theoretical m/z 139.050752, Mass diff 0 (0 ppm), Formula C6H7N2O2", "141.05769": "Theoretical m/z 141.057849, Mass diff 0 (0 ppm), Formula C10H7N", "142.0657": "Theoretical m/z 142.065674, Mass diff -0.001 (0 ppm), Formula C10H8N", "143.06068": "Theoretical m/z 143.060923, Mass diff 0 (0 ppm), Formula C9H7N2", "143.07355": "Theoretical m/z 143.073499, Mass diff -0.001 (0 ppm), Formula C10H9N", "144.0448": "Theoretical m/z 144.044387, Mass diff 0 (2.87 ppm), SMILES O(C=1C=CC=CC1)C(=C)NC, Annotation [C9H11NO-5H]+, Rule of HR True", "144.06847": "Theoretical m/z 144.068748, Mass diff 0 (0 ppm), Formula C9H8N2", "144.08099": "Theoretical m/z 144.081324, Mass diff 0 (0 ppm), Formula C10H10N", "145.0527": "Theoretical m/z 145.052212, Mass diff 0 (3.36 ppm), SMILES O(C=1C=CC=CC1)C(=C)NC, Annotation [C9H11NO-4H]+, Rule of HR False", "145.06537": "Theoretical m/z 145.064798, Mass diff 0.001 (3.94 ppm), SMILES O(C=CCC)C=1C=CC=CC1, Annotation [C10H12O-3H]+, Rule of HR True", "145.07661": "Theoretical m/z 145.076573, Mass diff -0.001 (0 ppm), Formula C9H9N2", "146.06033": "Theoretical m/z 146.060037, Mass diff 0 (2.01 ppm), SMILES O(C=1C=CC=CC1)C(=C)NC, Annotation [C9H11NO-3H]+, Rule of HR True", "146.08401": "Theoretical m/z 146.084398, Mass diff 0 (0 ppm), Formula C9H10N2", "155.04976": "Theoretical m/z 155.04969, Mass diff -0.001 (0 ppm), Formula C11H7O", "155.06065": "Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2", "156.06877": "Theoretical m/z 156.068748, Mass diff -0.001 (0 ppm), Formula C10H8N2", "157.0614": "Theoretical m/z 157.061317, Mass diff -0.001 (0 ppm), Formula C6H9N2O3", "157.0762": "Theoretical m/z 157.076573, Mass diff 0 (0 ppm), Formula C10H9N2", "158.06033": "Theoretical m/z 158.060037, Mass diff 0 (1.85 ppm), SMILES N=C(C=COC=1C=CC=CC1)C, Annotation [C10H11NO-3H]+, Rule of HR True", "158.08434": "Theoretical m/z 158.084398, Mass diff 0 (0 ppm), Formula C10H10N2", "159.06828": "Theoretical m/z 159.067862, Mass diff 0 (2.63 ppm), SMILES N=C(C=COC=1C=CC=CC1)C, Annotation [C10H11NO-2H]+, Rule of HR False", "159.09198": "Theoretical m/z 159.092223, Mass diff 0 (0 ppm), Formula C10H11N2", "160.07613": "Theoretical m/z 160.075687, Mass diff 0 (2.77 ppm), SMILES N=C(C=COC=1C=CC=CC1)C, Annotation [C10H11NO-H]+, Rule of HR True", "169.07677": "Theoretical m/z 169.076573, Mass diff -0.001 (0 ppm), Formula C11H9N2", "170.06049": "Theoretical m/z 170.060042, Mass diff 0 (2.63 ppm), SMILES N=C(C(=COC=1C=CC=CC1)C)C, Annotation [C11H13NO-5H]+, Rule of HR True", "171.05582": "Theoretical m/z 171.055292, Mass diff 0.001 (3.09 ppm), SMILES N=1NC(OC=2C=CC=CC2)=CC1C, Annotation [C10H10N2O-3H]+, Rule of HR True", "171.09184": "Theoretical m/z 171.092223, Mass diff 0 (0 ppm), Formula C11H11N2", "172.07626": "Theoretical m/z 172.075693, Mass diff 0.001 (3.3 ppm), SMILES N=C(C(=COC=1C=CC=CC1)C)C, Annotation [C11H13NO-3H]+, Rule of HR True", "172.08717": "Theoretical m/z 172.087472, Mass diff 0 (0 ppm), Formula C10H10N3", "173.07166": "Theoretical m/z 173.070942, Mass diff 0.001 (4.15 ppm), SMILES N=1NC(OC=2C=CC=CC2)=CC1C, Annotation [C10H10N2O-H]+, Rule of HR True", "174.07939": "Theoretical m/z 174.078767, Mass diff 0.001 (3.58 ppm), SMILES N=1NC(OC=2C=CC=CC2)=CC1C, Annotation [C10H10N2O]+, Rule of HR False", "174.10281": "Theoretical m/z 174.103122, Mass diff 0 (0 ppm), Formula C10H12N3", "183.0555": "Theoretical m/z 183.055282, Mass diff 0 (1.19 ppm), SMILES N=CC(=COC=1C=CC=CC1)C(=N)C, Annotation [C11H12N2O-5H]+, Rule of HR True", "185.0714": "Theoretical m/z 185.070932, Mass diff 0 (2.53 ppm), SMILES N=1NC(OC=2C=CC=CC2)=C(C1C)C, Annotation [C11H12N2O-3H]+, Rule of HR True", "186.05576": "Theoretical m/z 186.054961, Mass diff 0.001 (4.29 ppm), SMILES ON=CC(=COC=1C=CC=CC1)CC, Annotation [C11H13NO2-5H]+, Rule of HR True", "186.10275": "Theoretical m/z 186.103122, Mass diff 0 (0 ppm), Formula C11H12N3", "187.08711": "Theoretical m/z 187.086582, Mass diff 0.001 (2.82 ppm), SMILES N1=C(C=C(OC=2C=CC=CC2)N1C)C, Annotation [C11H12N2O-H]+, Rule of HR True", "188.08208": "Theoretical m/z 188.081842, Mass diff 0 (1.27 ppm), SMILES N=CC=C(OC=1C=CC=CC1)N(N)C, Annotation [C10H13N3O-3H]+, Rule of HR True", "188.09454": "Theoretical m/z 188.094407, Mass diff 0 (0.71 ppm), SMILES N1=C(C=C(OC=2C=CC=CC2)N1C)C, Annotation [C11H12N2O]+, Rule of HR False", "189.10245": "Theoretical m/z 189.102232, Mass diff 0 (1.15 ppm), SMILES N1=C(C=C(OC=2C=CC=CC2)N1C)C, Annotation [C11H12N2O+H]+, Rule of HR True", "197.0715": "Theoretical m/z 197.071488, Mass diff -0.001 (0 ppm), Formula C12H9N2O", "199.08707": "Theoretical m/z 199.086593, Mass diff 0 (2.4 ppm), SMILES N=CC(=C(OC=1C=CC=CC1)NC)CC, Annotation [C12H16N2O-5H]+, Rule of HR True", "200.08215": "Theoretical m/z 200.081836, Mass diff 0 (1.57 ppm), SMILES N=CC1=C(OC=2C=CC=CC2)NN=C1C, Annotation [C11H11N3O-H]+, Rule of HR True", "201.10309": "Theoretical m/z 201.102237, Mass diff 0.001 (4.24 ppm), SMILES N1=C(C(=C(OC=2C=CC=CC2)N1C)C)C, Annotation [C12H14N2O-H]+, Rule of HR True", "202.09793": "Theoretical m/z 202.097486, Mass diff 0 (2.19 ppm), SMILES N=CC1=C(OC=2C=CC=CC2)NN=C1C, Annotation [C11H11N3O+H]+, Rule of HR True", "214.09836": "Theoretical m/z 214.097492, Mass diff 0.001 (4.05 ppm), SMILES N=CC=1C(=NN(C1OC=2C=CC=CC2)C)C, Annotation [C12H13N3O-H]+, Rule of HR True", "230.09335": "Theoretical m/z 230.092395, Mass diff 0.001 (4.15 ppm), SMILES ON=CC=1C(=NN(C1OC=2C=CC=CC2)C)C, Annotation [C12H13N3O2-H]+, Rule of HR True", "366.14682": "Theoretical m/z 366.145381, Mass diff -0.002 (0 ppm), Formula C20H20N3O4"}, "num_peaks": "90", "compound_name": "Fenpyroximate", "retention_time": 7.825895, "precursor_mz": 422.2081, "collision_energy": "", "peaks_json": [[91.04206, 117996.0], [91.05465, 106024.0], [92.0498, 87696.0], [93.05774, 260654.0], [94.04169, 108699.0], [95.04953, 62385.0], [95.06073, 350683.0], [96.06861, 923552.0], [104.04984, 232471.0], [106.06546, 218843.0], [107.02439, 77423.0], [107.04966, 430579.0], [109.04004, 148437.0], [110.0716, 266167.0], [111.05566, 267693.0], [112.06348, 143921.0], [113.07121, 165810.0], [117.05774, 475621.0], [118.06553, 207059.0], [121.0638, 98676.0], [121.07632, 211577.0], [122.07175, 1015735.0], [123.05569, 588803.0], [124.05084, 136544.0], [129.05762, 234973.0], [130.06567, 646047.0], [131.06102, 64470.0], [131.07352, 162979.0], [132.04504, 124496.0], [132.06866, 204911.0], [135.04469, 1656891.0], [136.05099, 82782.0], [137.05911, 95506.0], [138.06671, 5569473.0], [139.0507, 103856.0], [141.05769, 86459.0], [142.05298, 63910.0], [142.0657, 196862.0], [143.06068, 233150.0], [143.07355, 214610.0], [144.0448, 925002.0], [144.06847, 64229.0], [144.08099, 258802.0], [145.0527, 116335.0], [145.06537, 86828.0], [145.07661, 796518.0], [146.06033, 143788.0], [146.08401, 227348.0], [155.04976, 327910.0], [155.06065, 279544.0], [156.06877, 75745.0], [157.05295, 67758.0], [157.0614, 631707.0], [157.0762, 440265.0], [158.06033, 63862.0], [158.08434, 1135306.0], [159.06828, 1092296.0], [159.09198, 191557.0], [160.07613, 68662.0], [169.07677, 248853.0], [170.06049, 475510.0], [170.0843, 65958.0], [171.05582, 124587.0], [171.09184, 186652.0], [172.07626, 63322.0], [172.08717, 90299.0], [173.07166, 613565.0], [174.07939, 186701.0], [174.10281, 124566.0], [183.0555, 60224.0], [185.0714, 282332.0], [186.05576, 83272.0], [186.10275, 837404.0], [187.08711, 307005.0], [187.11115, 179545.0], [188.08208, 68182.0], [188.09454, 56664.0], [189.10245, 172485.0], [197.0715, 161124.0], [198.07919, 265419.0], [199.07426, 148687.0], [199.08707, 368116.0], [200.08215, 638373.0], [201.10309, 239504.0], [202.09793, 790032.0], [214.09836, 4878472.0], [215.10576, 1548726.0], [230.09335, 285190.0], [231.10078, 772223.0], [366.14682, 271014.0]]}, {"scannumber": "1609", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H6N3OF3", "inchikey": "RLQJEEJISHYWON-UHFFFAOYSA-N", "inchi": "", "smiles": "N#CCN=C(c1cnccc1C(F)(F)F)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"98.04052": "Theoretical m/z 98.040602, Mass diff 0 (0 ppm), Formula C5H5FN", "101.01998": "Theoretical m/z 101.020282, Mass diff 0 (0 ppm), Formula C5H3F2", "126.03515": "Theoretical m/z 126.035517, Mass diff 0 (0 ppm), Formula C6H5FNO", "128.0309": "Theoretical m/z 128.030628, Mass diff 0 (2.13 ppm), SMILES FC(F)C=1C=CN=CC1, Annotation [C6H5F2N-H]+, Rule of HR True", "135.03584": "Theoretical m/z 135.035851, Mass diff -0.001 (0 ppm), Formula C7H4FN2", "140.03102": "Theoretical m/z 140.030633, Mass diff 0 (2.76 ppm), SMILES FC(F)C=1C=CN=CC1C, Annotation [C7H7F2N-3H]+, Rule of HR True", "144.02579": "Theoretical m/z 144.026095, Mass diff 0 (0 ppm), Formula C6H4F2NO", "146.02148": "Theoretical m/z 146.021213, Mass diff 0 (1.83 ppm), SMILES FC(F)(F)C=1C=CN=CC1, Annotation [C6H4F3N-H]+, Rule of HR True", "148.03722": "Theoretical m/z 148.036863, Mass diff 0 (2.41 ppm), SMILES FC(F)(F)C=1C=CN=CC1, Annotation [C6H4F3N+H]+, Rule of HR True", "153.04604": "Theoretical m/z 153.046416, Mass diff 0 (0 ppm), Formula C7H6FN2O", "155.04199": "Theoretical m/z 155.041538, Mass diff 0 (2.92 ppm), SMILES FC(F)C=1C=CN=CC1C=N, Annotation [C7H6F2N2-H]+, Rule of HR True", "156.02586": "Theoretical m/z 156.025552, Mass diff 0 (1.97 ppm), SMILES FC(F)C=1C=CN=CC1CO, Annotation [C7H7F2NO-3H]+, Rule of HR True", "164.03217": "Theoretical m/z 164.032323, Mass diff 0 (0 ppm), Formula C6H5F3NO", "174.01654": "Theoretical m/z 174.016673, Mass diff 0 (0 ppm), Formula C7H3F3NO", "175.0481": "Theoretical m/z 175.047758, Mass diff 0 (1.95 ppm), SMILES FC(F)(F)C=1C=CN=CC1C=N, Annotation [C7H5F3N2+H]+, Rule of HR True", "176.0318": "Theoretical m/z 176.031772, Mass diff 0 (0.16 ppm), SMILES FC(F)(F)C=1C=CN=CC1CO, Annotation [C7H6F3NO-H]+, Rule of HR True", "183.0369": "Theoretical m/z 183.036447, Mass diff 0 (2.48 ppm), SMILES FC(F)C=1C=CN=CC1C(O)=NC, Annotation [C8H8F2N2O-3H]+, Rule of HR True", "203.04269": "Theoretical m/z 203.042667, Mass diff 0 (0.11 ppm), SMILES FC(F)(F)C=1C=CN=CC1C(O)=NC, Annotation [C8H7F3N2O-H]+, Rule of HR True"}, "num_peaks": "22", "compound_name": "Flonicamid", "retention_time": 1.603478, "precursor_mz": 230.054, "collision_energy": "", "peaks_json": [[98.04052, 1513015.0], [101.01998, 130358.0], [126.03515, 270418.0], [128.0309, 1130827.0], [129.03873, 894240.0], [134.04785, 187862.0], [135.03584, 106359.0], [136.04333, 85854.0], [140.03102, 72212.0], [144.02579, 576288.0], [146.02148, 1739781.0], [147.02966, 723489.0], [148.03722, 5717933.0], [153.04604, 178370.0], [155.04199, 750642.0], [156.02586, 62411.0], [164.03217, 431199.0], [174.01654, 1374723.0], [175.0481, 152887.0], [176.0318, 1685318.0], [183.0369, 1014810.0], [203.04269, 761411.0]]}, {"scannumber": "7721", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C21H16N4O5ClF", "inchikey": "UFEODZBUAFNAEU-UHFFFAOYSA-N", "inchi": "", "smiles": "CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"90.03426": "Theoretical m/z 90.034374, Mass diff 0 (0 ppm), Formula C6H4N", "93.0339": "Theoretical m/z 93.033489, Mass diff 0 (4.42 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O-H]+, Rule of HR True", "95.04953": "Theoretical m/z 95.049139, Mass diff 0 (4.11 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "104.04984": "Theoretical m/z 104.050024, Mass diff 0 (0 ppm), Formula C7H6N", "105.04505": "Theoretical m/z 105.045273, Mass diff 0 (0 ppm), Formula C6H5N2", "106.02911": "Theoretical m/z 106.029289, Mass diff 0 (0 ppm), Formula C6H4NO", "111.04436": "Theoretical m/z 111.044604, Mass diff 0 (0 ppm), Formula C6H7O2", "118.05279": "Theoretical m/z 118.053098, Mass diff 0 (0 ppm), Formula C7H6N2", "119.03689": "Theoretical m/z 119.036566, Mass diff 0 (2.72 ppm), SMILES N=COC=1C=CC=CC1, Annotation [C7H7NO-2H]+, Rule of HR False", "120.04464": "Theoretical m/z 120.044391, Mass diff 0 (2.07 ppm), SMILES N=COC=1C=CC=CC1, Annotation [C7H7NO-H]+, Rule of HR True", "122.04026": "Theoretical m/z 122.040602, Mass diff 0 (0 ppm), Formula C7H5FN", "129.01041": "Theoretical m/z 129.010176, Mass diff 0 (1.82 ppm), SMILES ClC=1C=CC=CC1O, Annotation [C6H5ClO+H]+, Rule of HR True", "129.04503": "Theoretical m/z 129.045273, Mass diff 0 (0 ppm), Formula C8H5N2", "130.02905": "Theoretical m/z 130.028747, Mass diff 0 (2.33 ppm), SMILES N(=C)COC=1C=CC=CC1, Annotation [C8H9NO-5H]+, Rule of HR True", "130.04021": "Theoretical m/z 130.040522, Mass diff 0 (0 ppm), Formula C7H4N3", "132.04463": "Theoretical m/z 132.044397, Mass diff 0 (1.77 ppm), SMILES N(OC)=CC=1C=CC=CC1, Annotation [C8H9NO-3H]+, Rule of HR True", "134.04034": "Theoretical m/z 134.040602, Mass diff 0 (0 ppm), Formula C8H5FN", "138.011": "Theoretical m/z 138.011052, Mass diff 0 (0 ppm), Formula C7H5ClN", "138.99483": "Theoretical m/z 138.994516, Mass diff 0 (2.26 ppm), SMILES ClC=1C=CC=CC1OC, Annotation [C7H7ClO-3H]+, Rule of HR True", "139.00627": "Theoretical m/z 139.006301, Mass diff -0.001 (0 ppm), Formula C6H4ClN2", "144.03229": "Theoretical m/z 144.031811, Mass diff 0 (3.33 ppm), SMILES N=CN=COC=1C=CC=CC1, Annotation [C8H8N2O-4H]+, Rule of HR False", "145.04005": "Theoretical m/z 145.039636, Mass diff 0 (2.85 ppm), SMILES N=CN=COC=1C=CC=CC1, Annotation [C8H8N2O-3H]+, Rule of HR True", "150.03526": "Theoretical m/z 150.034967, Mass diff 0 (1.95 ppm), SMILES FCC(=N)OC=1C=CC=CC1, Annotation [C8H8FNO-3H]+, Rule of HR True", "151.00616": "Theoretical m/z 151.006301, Mass diff 0 (0 ppm), Formula C7H4ClN2", "154.04019": "Theoretical m/z 154.040522, Mass diff 0 (0 ppm), Formula C9H4N3", "157.04028": "Theoretical m/z 157.039641, Mass diff 0.001 (4.07 ppm), SMILES N=CC(=NOC)C=1C=CC=CC1, Annotation [C9H10N2O-5H]+, Rule of HR True", "159.036": "Theoretical m/z 159.035851, Mass diff -0.001 (0 ppm), Formula C9H4FN2", "160.02722": "Theoretical m/z 160.027765, Mass diff 0 (0 ppm), Formula C5H7ClN3O", "161.03488": "Theoretical m/z 161.035102, Mass diff 0 (0 ppm), Formula C8H5N2O2", "162.03548": "Theoretical m/z 162.034967, Mass diff 0.001 (3.17 ppm), SMILES FC=C(N=C)OC=1C=CC=CC1, Annotation [C9H8FNO-3H]+, Rule of HR True", "162.04268": "Theoretical m/z 162.043415, Mass diff 0 (0 ppm), Formula C5H9ClN3O", "162.0554": "Theoretical m/z 162.054956, Mass diff 0 (2.74 ppm), SMILES OCC(=NOC)C=1C=CC=CC1, Annotation [C9H11NO2-3H]+, Rule of HR True", "163.00633": "Theoretical m/z 163.006301, Mass diff -0.001 (0 ppm), Formula C8H4ClN2", "163.05046": "Theoretical m/z 163.050752, Mass diff 0 (0 ppm), Formula C8H7N2O2", "164.03441": "Theoretical m/z 164.034768, Mass diff 0 (0 ppm), Formula C8H6NO3", "168.00159": "Theoretical m/z 168.00163, Mass diff -0.001 (0 ppm), Formula C8H4ClFN", "170.03549": "Theoretical m/z 170.035437, Mass diff -0.001 (0 ppm), Formula C9H4N3O", "175.03069": "Theoretical m/z 175.030211, Mass diff 0 (2.73 ppm), SMILES FCC(=NC=N)OC=1C=CC=CC1, Annotation [C9H9FN2O-5H]+, Rule of HR True", "176.0387": "Theoretical m/z 176.038037, Mass diff 0.001 (3.77 ppm), SMILES FCC(=NC=N)OC=1C=CC=CC1, Annotation [C9H9FN2O-4H]+, Rule of HR False", "178.02998": "Theoretical m/z 178.030432, Mass diff 0 (0 ppm), Formula C9H5FNO2", "179.00104": "Theoretical m/z 179.001215, Mass diff 0 (0 ppm), Formula C8H4ClN2O", "183.99632": "Theoretical m/z 183.995996, Mass diff 0 (1.76 ppm), SMILES FC=C(OC=1C=CC=CC1Cl)N, Annotation [C8H7ClFNO-3H]+, Rule of HR True", "188.03847": "Theoretical m/z 188.038046, Mass diff 0 (2.25 ppm), SMILES FC=1C=NC=NC1OC=2C=CC=CC2, Annotation [C10H7FN2O-2H]+, Rule of HR False", "189.04591": "Theoretical m/z 189.045871, Mass diff 0 (0.2 ppm), SMILES FC=1C=NC=NC1OC=2C=CC=CC2, Annotation [C10H7FN2O-H]+, Rule of HR True", "191.02574": "Theoretical m/z 191.026368, Mass diff 0 (0 ppm), Formula C11H8ClO", "202.04166": "Theoretical m/z 202.042352, Mass diff 0 (0 ppm), Formula C12H9ClN", "205.04123": "Theoretical m/z 205.040775, Mass diff 0 (2.22 ppm), SMILES FC=1C(O)=NC=NC1OC=2C=CC=CC2, Annotation [C10H7FN2O2-H]+, Rule of HR True", "205.06093": "Theoretical m/z 205.060764, Mass diff 0 (0.81 ppm), SMILES ON=C(C1=NOCCO1)C=2C=CC=CC2, Annotation [C10H10N2O3-H]+, Rule of HR True", "214.00674": "Theoretical m/z 214.006565, Mass diff 0 (0.82 ppm), SMILES FC(=COC=1C=CC=CC1Cl)C(=N)O, Annotation [C9H7ClFNO2-H]+, Rule of HR True", "214.0412": "Theoretical m/z 214.041665, Mass diff 0 (0 ppm), Formula C11H5FN3O", "216.05721": "Theoretical m/z 216.058002, Mass diff 0 (0 ppm), Formula C13H11ClN", "218.03612": "Theoretical m/z 218.03658, Mass diff 0 (0 ppm), Formula C10H5FN3O2", "223.00748": "Theoretical m/z 223.0069, Mass diff 0.001 (2.6 ppm), SMILES FC=1C=NC=NC1OC=2C=CC=CC2Cl, Annotation [C10H6ClFN2O-H]+, Rule of HR True", "223.9912": "Theoretical m/z 223.990905, Mass diff 0 (1.32 ppm), SMILES FC(=C(N=C)OC=1C=CC=CC1Cl)CO, Annotation [C10H9ClFNO2-5H]+, Rule of HR True", "225.05933": "Theoretical m/z 225.059479, Mass diff 0 (0 ppm), Formula C11H11ClFN2", "228.04449": "Theoretical m/z 228.044939, Mass diff 0 (0 ppm), Formula C16H6NO", "229.02827": "Theoretical m/z 229.028206, Mass diff 0 (0.28 ppm), SMILES FCC(=N)OC=1C=CC=CC1C(=NOC)C=N, Annotation [C11H12FN3O2-8H]+, Rule of HR False", "230.03622": "Theoretical m/z 230.036031, Mass diff 0 (0.82 ppm), SMILES FCC(=N)OC=1C=CC=CC1C(=NOC)C=N, Annotation [C11H12FN3O2-7H]+, Rule of HR True", "240.04454": "Theoretical m/z 240.044939, Mass diff 0 (0 ppm), Formula C17H6NO", "241.05283": "Theoretical m/z 241.053251, Mass diff 0 (0 ppm), Formula C14H10ClN2", "244.05261": "Theoretical m/z 244.051675, Mass diff 0.001 (3.83 ppm), SMILES FC=1C=NC=NC1OC=2C=CC=CC2C=NOC, Annotation [C12H10FN3O2-3H]+, Rule of HR True", "246.0312": "Theoretical m/z 246.030949, Mass diff 0 (1.02 ppm), SMILES FCC(=N)OC=1C=CC=CC1C(=NOC)C(=N)O, Annotation [C11H12FN3O3-7H]+, Rule of HR True", "251.06181": "Theoretical m/z 251.062066, Mass diff 0 (0 ppm), Formula C15H8FN2O", "252.06947": "Theoretical m/z 252.070378, Mass diff 0 (0 ppm), Formula C12H12ClFN3", "255.03178": "Theoretical m/z 255.032516, Mass diff 0 (0 ppm), Formula C14H8ClN2O", "257.04721": "Theoretical m/z 257.046941, Mass diff 0 (1.05 ppm), SMILES FCC(=NC=N)OC=1C=CC=CC1C(=NOC)C=N, Annotation [C12H13FN4O2-7H]+, Rule of HR True", "266.01273": "Theoretical m/z 266.013257, Mass diff 0 (0 ppm), Formula C11H6ClFN3O2", "274.06223": "Theoretical m/z 274.06225, Mass diff 0 (0.07 ppm), SMILES FC=1C=NC=NC1OC=2C=CC=CC2C(=NOC)CO, Annotation [C13H12FN3O3-3H]+, Rule of HR True", "277.06509": "Theoretical m/z 277.065627, Mass diff 0 (0 ppm), Formula C13H11ClFN4", "278.07285": "Theoretical m/z 278.073652, Mass diff 0 (0 ppm), Formula C18H13ClN", "279.05734": "Theoretical m/z 279.056421, Mass diff 0.001 (3.29 ppm), SMILES FC=1C(=NC=NC1OC=2C=CC=CC2)OC=3C=CC=CC3, Annotation [C16H11FN2O2-3H]+, Rule of HR True", "280.06467": "Theoretical m/z 280.064246, Mass diff 0 (1.52 ppm), SMILES FC=1C(=NC=NC1OC=2C=CC=CC2)OC=3C=CC=CC3, Annotation [C16H11FN2O2-2H]+, Rule of HR False", "304.0531": "Theoretical m/z 304.053516, Mass diff 0 (1.37 ppm), SMILES FC(=C(N=C)OC=1C=CC=CC1Cl)COC=2C=CC=CC2, Annotation [C16H13ClFNO2-H]+, Rule of HR True", "306.0679": "Theoretical m/z 306.069166, Mass diff 0.001 (4.14 ppm), SMILES FC(=C(N=C)OC=1C=CC=CC1Cl)COC=2C=CC=CC2, Annotation [C16H13ClFNO2+H]+, Rule of HR True", "313.04251": "Theoretical m/z 313.04316, Mass diff 0 (0 ppm), Formula C18H11ClFO2", "315.03339": "Theoretical m/z 315.0331, Mass diff 0 (0.92 ppm), SMILES FC=1C(=NC=NC1OC=2C=CC=CC2Cl)OC=3C=CC=CC3, Annotation [C16H10ClFN2O2-H]+, Rule of HR True", "318.06851": "Theoretical m/z 318.068567, Mass diff 0 (0 ppm), Formula C20H13ClNO", "331.0636": "Theoretical m/z 331.064405, Mass diff 0.001 (2.43 ppm), SMILES FC=1C(=NC=NC1OC=2C=CC=CC2C)OC=3C=CC=CC3Cl, Annotation [C17H12ClFN2O2+H]+, Rule of HR True", "340.02972": "Theoretical m/z 340.028344, Mass diff 0.001 (4.05 ppm), SMILES FC=1C(=NC=NC1OC=2C=CC=CC2C=N)OC=3C=CC=CC3Cl, Annotation [C17H11ClFN3O2-3H]+, Rule of HR True", "342.04449": "Theoretical m/z 342.043995, Mass diff 0 (1.45 ppm), SMILES FC=1C(=NC=NC1OC=2C=CC=CC2C=N)OC=3C=CC=CC3Cl, Annotation [C17H11ClFN3O2-H]+, Rule of HR True", "367.03973": "Theoretical m/z 367.03927, Mass diff 0 (1.25 ppm), SMILES FC=1C(=NC=NC1OC=2C=CC=CC2C(=N)C=N)OC=3C=CC=CC3Cl, Annotation [C18H12ClFN4O2-3H]+, Rule of HR True", "383.03424": "Theoretical m/z 383.034173, Mass diff 0 (0.17 ppm), SMILES FC=1C(=NC=NC1OC=2C=CC=CC2C(=NO)C=N)OC=3C=CC=CC3Cl, Annotation [C18H12ClFN4O3-3H]+, Rule of HR True"}, "num_peaks": "85", "compound_name": "Fluoxastrobin", "retention_time": 7.061409, "precursor_mz": 459.0882, "collision_energy": "", "peaks_json": [[90.03426, 262008.0], [93.0339, 81235.0], [95.04953, 126363.0], [104.04984, 132927.0], [105.04505, 96553.0], [106.02911, 119639.0], [111.04436, 132213.0], [118.05279, 109270.0], [119.03689, 143696.0], [120.04464, 501451.0], [122.04026, 150489.0], [129.01041, 330269.0], [129.04503, 292390.0], [130.02905, 326516.0], [130.04021, 649052.0], [132.04463, 118853.0], [134.04034, 93930.0], [138.011, 2207225.0], [138.99483, 184424.0], [139.00627, 992155.0], [144.03229, 102927.0], [145.04005, 956703.0], [150.03526, 1178492.0], [151.00616, 106379.0], [154.04019, 85122.0], [157.04028, 88434.0], [159.036, 96008.0], [160.02722, 141264.0], [160.04352, 103289.0], [161.03488, 323066.0], [162.03548, 140596.0], [162.04268, 203634.0], [162.0554, 114359.0], [163.00633, 194952.0], [163.05046, 168483.0], [164.03441, 768408.0], [168.00159, 464518.0], [170.03549, 190735.0], [175.03069, 390492.0], [176.0387, 156295.0], [178.02998, 1064297.0], [179.00104, 397625.0], [183.99632, 171687.0], [188.03847, 7591765.0], [188.05785, 92062.0], [189.04591, 91704.0], [190.04181, 129380.0], [191.02574, 180590.0], [202.04166, 121581.0], [205.04123, 347646.0], [205.06093, 241613.0], [214.00674, 231209.0], [214.0412, 97985.0], [216.05721, 78878.0], [218.03612, 98376.0], [223.00748, 102872.0], [223.9912, 115573.0], [225.05933, 90781.0], [228.04449, 112509.0], [229.02827, 136264.0], [230.03622, 724472.0], [240.04454, 142077.0], [241.05283, 128789.0], [244.05261, 88750.0], [246.0312, 274116.0], [251.06181, 83031.0], [252.06947, 77596.0], [255.03178, 103007.0], [257.04721, 91609.0], [266.01273, 226670.0], [274.06223, 117152.0], [277.06509, 115503.0], [278.07285, 221625.0], [279.05734, 137186.0], [280.06467, 243149.0], [304.0531, 127719.0], [306.0679, 3047910.0], [313.04251, 87383.0], [315.03339, 303129.0], [318.06851, 266951.0], [331.0636, 304000.0], [340.02972, 444209.0], [342.04449, 118004.0], [367.03973, 216560.0], [383.03424, 104628.0]]}, {"scannumber": "3979", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H16NO2F3", "inchikey": "PTCGDEVVHUXTMP-UHFFFAOYSA-N", "inchi": "", "smiles": "CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"111.04436": "Theoretical m/z 111.044604, Mass diff 0 (0 ppm), Formula C6H7O2", "130.02905": "Theoretical m/z 130.029289, Mass diff 0 (0 ppm), Formula C8H4NO", "145.02599": "Theoretical m/z 145.025959, Mass diff 0 (0.22 ppm), SMILES FC(F)(F)C=1C=CC=CC1, Annotation [C7H5F3-H]+, Rule of HR True", "166.06538": "Theoretical m/z 166.065674, Mass diff 0 (0 ppm), Formula C12H8N", "173.02094": "Theoretical m/z 173.021424, Mass diff 0 (0 ppm), Formula C8H4F3O", "194.0601": "Theoretical m/z 194.060037, Mass diff 0 (0.32 ppm), SMILES OC1=CC=CC(N=CC=2C=CC=CC2)=C1, Annotation [C13H11NO-3H]+, Rule of HR True", "214.06641": "Theoretical m/z 214.066817, Mass diff 0 (0 ppm), Formula C13H9FNO", "222.05511": "Theoretical m/z 222.055503, Mass diff 0 (0 ppm), Formula C14H8NO2", "242.06139": "Theoretical m/z 242.061732, Mass diff 0 (0 ppm), Formula C14H9FNO2", "262.06796": "Theoretical m/z 262.067402, Mass diff 0.001 (2.13 ppm), SMILES FC(F)C=1C=CC=CC1C(O)=NC=2C=CC=C(O)C2, Annotation [C14H11F2NO2-H]+, Rule of HR True"}, "num_peaks": "12", "compound_name": "Flutolanil", "retention_time": 6.193638, "precursor_mz": 324.1214, "collision_energy": "", "peaks_json": [[111.04436, 4020810.0], [121.03985, 3392917.0], [130.02905, 2402830.0], [145.02599, 877135.0], [166.06538, 168609.0], [173.02094, 3306207.0], [194.0601, 203214.0], [214.06641, 383897.0], [222.05511, 217155.0], [242.05533, 161728.0], [242.06139, 15929322.0], [262.06796, 878870.0]]}, {"scannumber": "3970", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H19NO4", "inchikey": "CIEXPHRYOLIQQD-ZDUSSCGKSA-N", "inchi": "", "smiles": "COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"95.01299": "Theoretical m/z 95.01276, Mass diff 0 (2.42 ppm), SMILES O=CC=1OC=CC1, Annotation [C5H4O2-H]+, Rule of HR True"}, "num_peaks": "1", "compound_name": "Furalaxyl", "retention_time": 6.193638, "precursor_mz": 302.1392, "collision_energy": "", "peaks_json": [[95.01299, 22120298.0]]}, {"scannumber": "2732", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H14N2OCl2", "inchikey": "PZBPKYOVPCNPJY-AWEZNQCLSA-N", "inchi": "", "smiles": "C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"102.04659": "Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6", "109.0761": "Theoretical m/z 109.076573, Mass diff 0 (0 ppm), Formula C6H9N2", "122.99966": "Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl", "129.07021": "Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9", "137.01562": "Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl", "141.0703": "Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9", "149.01559": "Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl", "158.97626": "Theoretical m/z 158.976276, Mass diff 0 (0.1 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C, Annotation [C7H6Cl2-H]+, Rule of HR True", "172.99223": "Theoretical m/z 172.991932, Mass diff 0 (1.73 ppm), SMILES ClC1=CC=C(C(Cl)=C1)CC, Annotation [C8H8Cl2-H]+, Rule of HR True", "175.03131": "Theoretical m/z 175.031453, Mass diff 0 (0 ppm), Formula C11H8Cl", "186.97179": "Theoretical m/z 186.9712, Mass diff 0.001 (3.15 ppm), SMILES ClC1=CC=C(C(Cl)=C1)COC, Annotation [C8H8Cl2O-3H]+, Rule of HR True", "200.98682": "Theoretical m/z 200.986841, Mass diff 0 (0.1 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C(OC)C, Annotation [C9H10Cl2O-3H]+, Rule of HR True", "255.00883": "Theoretical m/z 255.008655, Mass diff 0 (0.69 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C(O)CN2C=NC=C2, Annotation [C11H10Cl2N2O-H]+, Rule of HR True"}, "num_peaks": "17", "compound_name": "Imazalil", "retention_time": 3.913752, "precursor_mz": 297.0566, "collision_energy": "", "peaks_json": [[102.04659, 83349.0], [109.0761, 370634.0], [122.99966, 169161.0], [129.07021, 173674.0], [137.01562, 175055.0], [138.02319, 151710.0], [141.0703, 676682.0], [149.01559, 103927.0], [150.02344, 201572.0], [158.97626, 8128112.0], [164.03893, 173925.0], [172.99223, 1736974.0], [175.03131, 122074.0], [176.0387, 901695.0], [186.97179, 139839.0], [200.98682, 142186.0], [255.00883, 411510.0]]}, {"scannumber": "2109", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H10N5O2Cl", "inchikey": "YWTYJOPNNQFBPC-UHFFFAOYSA-N", "inchi": "", "smiles": "O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"99.05553": "Theoretical m/z 99.055838, Mass diff 0 (0 ppm), Formula C4H7N2O", "105.04505": "Theoretical m/z 105.044725, Mass diff 0 (3.1 ppm), SMILES N=1C=CC=C(C1)CN, Annotation [C6H8N2-3H]+, Rule of HR True", "106.06546": "Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N", "107.06065": "Theoretical m/z 107.060375, Mass diff 0 (2.57 ppm), SMILES N=1C=CC=C(C1)CN, Annotation [C6H8N2-H]+, Rule of HR True", "113.00283": "Theoretical m/z 113.002679, Mass diff 0 (1.34 ppm), SMILES ClC1=NC=CC=C1, Annotation [C5H4ClN]+, Rule of HR False", "119.06059": "Theoretical m/z 119.060373, Mass diff 0 (1.83 ppm), SMILES N=1C=CC=C(C1)CNC, Annotation [C7H10N2-3H]+, Rule of HR True", "120.05593": "Theoretical m/z 120.056172, Mass diff 0 (0 ppm), Formula C6H6N3", "126.01085": "Theoretical m/z 126.010502, Mass diff 0 (2.77 ppm), SMILES ClC1=NC=C(C=C1)C, Annotation [C6H6ClN-H]+, Rule of HR True", "127.01869": "Theoretical m/z 127.018327, Mass diff 0 (2.86 ppm), SMILES ClC1=NC=C(C=C1)C, Annotation [C6H6ClN]+, Rule of HR False", "128.02625": "Theoretical m/z 128.026152, Mass diff 0 (0.77 ppm), SMILES ClC1=NC=C(C=C1)C, Annotation [C6H6ClN+H]+, Rule of HR True", "131.06062": "Theoretical m/z 131.060378, Mass diff 0 (1.85 ppm), SMILES N=1C=CC=C(C1)CNCC, Annotation [C8H12N2-5H]+, Rule of HR True", "132.05562": "Theoretical m/z 132.056172, Mass diff 0 (0 ppm), Formula C7H6N3", "133.076": "Theoretical m/z 133.076028, Mass diff 0 (0.21 ppm), SMILES N=1C=CC=C(C1)CNCC, Annotation [C8H12N2-3H]+, Rule of HR True", "134.07159": "Theoretical m/z 134.071822, Mass diff 0 (0 ppm), Formula C7H8N3", "141.02173": "Theoretical m/z 141.021396, Mass diff 0 (2.37 ppm), SMILES ClC1=NC=C(C=C1)CN, Annotation [C6H7ClN2-H]+, Rule of HR True", "146.0717": "Theoretical m/z 146.071273, Mass diff 0 (2.92 ppm), SMILES N=1C=CC=C(C1)CNCCN, Annotation [C8H13N3-5H]+, Rule of HR True", "147.06651": "Theoretical m/z 147.067071, Mass diff 0 (0 ppm), Formula C7H7N4", "148.08702": "Theoretical m/z 148.086923, Mass diff 0 (0.66 ppm), SMILES N=1C=CC=C(C1)CNCCN, Annotation [C8H13N3-3H]+, Rule of HR True", "158.07153": "Theoretical m/z 158.071267, Mass diff 0 (1.66 ppm), SMILES N=1C=CC=C(C1)CN2C=NCC2, Annotation [C9H11N3-3H]+, Rule of HR True", "159.06667": "Theoretical m/z 159.067071, Mass diff 0 (0 ppm), Formula C8H7N4", "166.01717": "Theoretical m/z 166.016656, Mass diff 0.001 (3.09 ppm), SMILES ClC1=NC=C(C=C1)CNC=N, Annotation [C7H8ClN3-3H]+, Rule of HR True", "167.03738": "Theoretical m/z 167.037057, Mass diff 0 (1.93 ppm), SMILES ClC1=NC=C(C=C1)CNCC, Annotation [C8H11ClN2-3H]+, Rule of HR True", "173.08266": "Theoretical m/z 173.082177, Mass diff 0 (2.79 ppm), SMILES N=1C=CC=C(C1)CN2C(=NCC2)N, Annotation [C9H12N4-3H]+, Rule of HR True", "175.09782": "Theoretical m/z 175.097828, Mass diff 0 (0.04 ppm), SMILES N=1C=CC=C(C1)CN2C(=NCC2)N, Annotation [C9H12N4-H]+, Rule of HR True", "180.03256": "Theoretical m/z 180.032297, Mass diff 0 (1.46 ppm), SMILES ClC1=NC=C(C=C1)CN(C=N)C, Annotation [C8H10ClN3-3H]+, Rule of HR True", "181.02791": "Theoretical m/z 181.027551, Mass diff 0 (1.98 ppm), SMILES ClC1=NC=C(C=C1)CNC(=N)N, Annotation [C7H9ClN4-3H]+, Rule of HR True", "191.09306": "Theoretical m/z 191.093286, Mass diff 0 (0 ppm), Formula C9H11N4O", "194.04849": "Theoretical m/z 194.047947, Mass diff 0.001 (2.8 ppm), SMILES ClC1=NC=C(C=C1)CN2C=NCC2, Annotation [C9H10ClN3-H]+, Rule of HR True", "209.05885": "Theoretical m/z 209.058857, Mass diff 0 (0.03 ppm), SMILES ClC1=NC=C(C=C1)CN2C(=NCC2)N, Annotation [C9H11ClN4-H]+, Rule of HR True"}, "num_peaks": "36", "compound_name": "Imidacloprid", "retention_time": 3.079668, "precursor_mz": 256.0602, "collision_energy": "", "peaks_json": [[99.05553, 45726.0], [105.04505, 49039.0], [106.06546, 54345.0], [107.06065, 64812.0], [113.00283, 42520.0], [119.04804, 44604.0], [119.06059, 69901.0], [120.05593, 48869.0], [126.01085, 269914.0], [127.01869, 53555.0], [128.02625, 263416.0], [131.06062, 65155.0], [132.05562, 39478.0], [133.06364, 158210.0], [133.076, 126641.0], [134.07159, 138270.0], [141.02173, 133666.0], [146.05891, 66316.0], [146.0717, 317182.0], [147.06651, 418911.0], [148.08702, 165957.0], [158.07153, 211685.0], [159.06667, 39062.0], [159.07906, 265140.0], [166.01717, 43422.0], [167.03738, 137027.0], [173.08266, 507123.0], [174.09048, 481291.0], [175.09782, 2784924.0], [180.03256, 49532.0], [181.02791, 160573.0], [191.09306, 100802.0], [194.04849, 73037.0], [208.05171, 91411.0], [209.05724, 1316587.0], [209.05885, 3531093.0]]}, {"scannumber": "7168", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C23H22NO4Cl", "inchikey": "KWLVWJPJKJMCSH-JOCHJYFZSA-N", "inchi": "", "smiles": "C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"204.10207": "Theoretical m/z 204.101911, Mass diff 0 (0.78 ppm), SMILES C#CCOC1=CC=C(C=C1)CCN=CO, Annotation [C12H13NO2+H]+, Rule of HR True", "328.11053": "Theoretical m/z 328.109877, Mass diff 0.001 (1.99 ppm), SMILES ClC1=CC=C(C=C1)CC(O)=NCCC2=CC=C(OCC#C)C=C2, Annotation [C19H18ClNO2+H]+, Rule of HR True", "356.10495": "Theoretical m/z 356.104786, Mass diff 0 (0.46 ppm), SMILES ClC1=CC=C(C=C1)CC(O)=NCCC2=CC=C(OCC#C)C(OC)=C2, Annotation [C20H20ClNO3-H]+, Rule of HR True", "412.13226": "Theoretical m/z 412.131025, Mass diff 0.001 (3 ppm), SMILES ClC1=CC=C(C=C1)C(OCC#C)C(O)=NCCC2=CC=C(OCC#C)C(OC)=C2, Annotation [C23H22ClNO4+H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Mandipropamid", "retention_time": 6.964275, "precursor_mz": 412.1314, "collision_energy": "", "peaks_json": [[204.10207, 530532.0], [328.11053, 16472820.0], [356.10495, 7175862.0], [412.04471, 215694.0], [412.13226, 2828841.0]]}, {"scannumber": "7089", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H13N3", "inchikey": "CIFWZNRJIBNXRE-UHFFFAOYSA-N", "inchi": "", "smiles": "CC#Cc1nc(Nc2ccccc2)nc(c1)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5", "90.03403": "Theoretical m/z 90.033822, Mass diff 0 (2.31 ppm), SMILES N=C(C#CC)C=C, Annotation [C6H7N-3H]+, Rule of HR True", "91.04182": "Theoretical m/z 91.041647, Mass diff 0 (1.9 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-2H]+, Rule of HR False", "91.05441": "Theoretical m/z 91.054223, Mass diff 0 (2.05 ppm), SMILES C(#CCC=CC)C, Annotation [C7H10-3H]+, Rule of HR True", "92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "94.06544": "Theoretical m/z 94.065123, Mass diff 0 (3.38 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N+H]+, Rule of HR True", "104.04984": "Theoretical m/z 104.049478, Mass diff 0 (3.48 ppm), SMILES N=C(C#CC)C=CC, Annotation [C7H9N-3H]+, Rule of HR True", "105.04505": "Theoretical m/z 105.044725, Mass diff 0 (3.1 ppm), SMILES N=1C=NC(=CC1C)C, Annotation [C6H8N2-3H]+, Rule of HR True", "105.05748": "Theoretical m/z 105.057303, Mass diff 0 (1.69 ppm), SMILES N=C(C#CC)C=CC, Annotation [C7H9N-2H]+, Rule of HR False", "106.06546": "Theoretical m/z 106.065128, Mass diff 0 (3.13 ppm), SMILES N=C(C#CC)C=CC, Annotation [C7H9N-H]+, Rule of HR True", "107.06065": "Theoretical m/z 107.060375, Mass diff 0 (2.57 ppm), SMILES N=1C=NC(=CC1C)C, Annotation [C6H8N2-H]+, Rule of HR True", "107.07314": "Theoretical m/z 107.072953, Mass diff 0 (1.75 ppm), SMILES N=C(C#CC)C=CC, Annotation [C7H9N]+, Rule of HR False", "115.05464": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "116.0497": "Theoretical m/z 116.049476, Mass diff 0 (1.93 ppm), SMILES C(#CCC=C(N=C)C)C, Annotation [C8H11N-5H]+, Rule of HR True", "117.0574": "Theoretical m/z 117.057301, Mass diff 0 (0.85 ppm), SMILES C(#CCC=C(N=C)C)C, Annotation [C8H11N-4H]+, Rule of HR False", "118.05279": "Theoretical m/z 118.052552, Mass diff 0 (2.02 ppm), SMILES C(#CC)C=1N=CN=CC1, Annotation [C7H6N2]+, Rule of HR False", "118.06553": "Theoretical m/z 118.065126, Mass diff 0 (3.42 ppm), SMILES C(#CCC=C(N=C)C)C, Annotation [C8H11N-3H]+, Rule of HR True", "119.06059": "Theoretical m/z 119.060377, Mass diff 0 (1.79 ppm), SMILES C(#CC)C=1N=CN=CC1, Annotation [C7H6N2+H]+, Rule of HR True", "121.07632": "Theoretical m/z 121.076025, Mass diff 0 (2.44 ppm), SMILES N=CNC=1C=CC=CC1, Annotation [C7H8N2+H]+, Rule of HR True", "128.04958": "Theoretical m/z 128.050024, Mass diff 0 (0 ppm), Formula C9H6N", "128.06239": "Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8", "129.04503": "Theoretical m/z 129.044723, Mass diff 0 (2.38 ppm), SMILES N(=CNC=1C=CC=CC1)C, Annotation [C8H10N2-5H]+, Rule of HR True", "129.05762": "Theoretical m/z 129.057849, Mass diff 0 (0 ppm), Formula C9H7N", "129.07021": "Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9", "130.04021": "Theoretical m/z 130.039972, Mass diff 0 (1.83 ppm), SMILES C(#CC)C1=NC(=NC=C1)N, Annotation [C7H7N3-3H]+, Rule of HR True", "130.06528": "Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N", "131.06062": "Theoretical m/z 131.060367, Mass diff 0 (1.93 ppm), SMILES C(#CC)C1=NC=NC(=C1)C, Annotation [C8H8N2-H]+, Rule of HR True", "139.05466": "Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7", "140.0497": "Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N", "141.05769": "Theoretical m/z 141.057849, Mass diff 0 (0 ppm), Formula C10H7N", "142.06525": "Theoretical m/z 142.065674, Mass diff 0 (0 ppm), Formula C10H8N", "143.06068": "Theoretical m/z 143.060373, Mass diff 0 (2.15 ppm), SMILES N(C=C)=CNC=1C=CC=CC1, Annotation [C9H10N2-3H]+, Rule of HR True", "143.07307": "Theoretical m/z 143.073499, Mass diff 0 (0 ppm), Formula C10H9N", "146.0717": "Theoretical m/z 146.071277, Mass diff 0 (2.89 ppm), SMILES C(#CC)C=1N=C(N=C(C1)C)N, Annotation [C8H9N3-H]+, Rule of HR True", "153.06992": "Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9", "154.06532": "Theoretical m/z 154.065674, Mass diff 0 (0 ppm), Formula C11H8N", "155.06065": "Theoretical m/z 155.060373, Mass diff 0 (1.79 ppm), SMILES C#CC=NCNC=1C=CC=CC1, Annotation [C10H10N2-3H]+, Rule of HR True", "156.06825": "Theoretical m/z 156.068203, Mass diff 0 (0.3 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C, Annotation [C10H12N2-4H]+, Rule of HR False", "156.08081": "Theoretical m/z 156.081324, Mass diff 0 (0 ppm), Formula C11H10N", "157.0762": "Theoretical m/z 157.076028, Mass diff 0 (1.09 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C, Annotation [C10H12N2-3H]+, Rule of HR True", "158.08434": "Theoretical m/z 158.083853, Mass diff 0 (3.08 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C, Annotation [C10H12N2-2H]+, Rule of HR False", "159.09198": "Theoretical m/z 159.091678, Mass diff 0 (1.9 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C, Annotation [C10H12N2-H]+, Rule of HR True", "166.06538": "Theoretical m/z 166.065674, Mass diff 0 (0 ppm), Formula C12H8N", "167.06058": "Theoretical m/z 167.060378, Mass diff 0 (1.21 ppm), SMILES C#CC(=NCNC=1C=CC=CC1)C, Annotation [C11H12N2-5H]+, Rule of HR True", "168.06824": "Theoretical m/z 168.068203, Mass diff 0 (0.22 ppm), SMILES C(#CC)C=NCNC=1C=CC=CC1, Annotation [C11H12N2-4H]+, Rule of HR False", "168.08109": "Theoretical m/z 168.081324, Mass diff 0 (0 ppm), Formula C12H10N", "169.07619": "Theoretical m/z 169.076028, Mass diff 0 (0.96 ppm), SMILES C(#CC)C=NCNC=1C=CC=CC1, Annotation [C11H12N2-3H]+, Rule of HR True", "170.0968": "Theoretical m/z 170.096974, Mass diff 0 (0 ppm), Formula C12H12N", "178.06569": "Theoretical m/z 178.065674, Mass diff -0.001 (0 ppm), Formula C13H8N", "179.06082": "Theoretical m/z 179.060923, Mass diff 0 (0 ppm), Formula C12H7N2", "180.08119": "Theoretical m/z 180.081324, Mass diff 0 (0 ppm), Formula C13H10N", "181.07629": "Theoretical m/z 181.076573, Mass diff 0 (0 ppm), Formula C12H9N2", "182.08427": "Theoretical m/z 182.083843, Mass diff 0 (2.34 ppm), SMILES C(#CC)C(=NCNC=1C=CC=CC1)C, Annotation [C12H14N2-4H]+, Rule of HR False", "182.09682": "Theoretical m/z 182.096974, Mass diff 0 (0 ppm), Formula C13H12N", "183.09206": "Theoretical m/z 183.091668, Mass diff 0 (2.14 ppm), SMILES C(#CC)C(=NCNC=1C=CC=CC1)C, Annotation [C12H14N2-3H]+, Rule of HR True", "184.08746": "Theoretical m/z 184.086918, Mass diff 0.001 (2.95 ppm), SMILES N=1C=CC(=NC1NC=2C=CC=CC2)C, Annotation [C11H11N3-H]+, Rule of HR True", "184.09952": "Theoretical m/z 184.099493, Mass diff 0 (0.14 ppm), SMILES C(#CC)C(=NCNC=1C=CC=CC1)C, Annotation [C12H14N2-2H]+, Rule of HR False", "190.06572": "Theoretical m/z 190.065674, Mass diff -0.001 (0 ppm), Formula C14H8N", "191.06046": "Theoretical m/z 191.060923, Mass diff 0 (0 ppm), Formula C13H7N2", "193.07642": "Theoretical m/z 193.076018, Mass diff 0 (2.08 ppm), SMILES C(#CCC=CN=CNC=1C=CC=CC1)C, Annotation [C13H14N2-5H]+, Rule of HR True", "194.0717": "Theoretical m/z 194.071277, Mass diff 0 (2.18 ppm), SMILES C#CC1=NC(=NC=C1)NC=2C=CC=CC2, Annotation [C12H9N3-H]+, Rule of HR True", "195.09225": "Theoretical m/z 195.091668, Mass diff 0.001 (2.98 ppm), SMILES C(#CCC=CN=CNC=1C=CC=CC1)C, Annotation [C13H14N2-3H]+, Rule of HR True", "197.10789": "Theoretical m/z 197.107319, Mass diff 0.001 (2.9 ppm), SMILES C(#CCC=CN=CNC=1C=CC=CC1)C, Annotation [C13H14N2-H]+, Rule of HR True", "205.07669": "Theoretical m/z 205.076573, Mass diff -0.001 (0 ppm), Formula C14H9N2", "207.0918": "Theoretical m/z 207.092223, Mass diff 0 (0 ppm), Formula C14H11N2", "208.08714": "Theoretical m/z 208.086918, Mass diff 0 (1.07 ppm), SMILES C(#CC)C1=NC(=NC=C1)NC=2C=CC=CC2, Annotation [C13H11N3-H]+, Rule of HR True", "222.10307": "Theoretical m/z 222.103122, Mass diff 0 (0 ppm), Formula C14H12N3", "224.119": "Theoretical m/z 224.118223, Mass diff 0.001 (3.47 ppm), SMILES C(#CC)C=1N=C(N=C(C1)C)NC=2C=CC=CC2, Annotation [C14H13N3+H]+, Rule of HR True"}, "num_peaks": "102", "compound_name": "Mepanipyrim", "retention_time": 6.936112, "precursor_mz": 224.1185, "collision_energy": "", "peaks_json": [[89.03882, 517274.0], [90.03403, 2492239.0], [91.04182, 279822.0], [91.05441, 689902.0], [92.0498, 1156467.0], [93.0575, 1581720.0], [94.04169, 907699.0], [94.06544, 4247548.0], [95.04928, 7648441.0], [96.04461, 836099.0], [104.04984, 9863130.0], [105.04505, 4799141.0], [105.05748, 280682.0], [106.05285, 481449.0], [106.06546, 21345988.0], [107.06065, 1636304.0], [107.07314, 792818.0], [115.05464, 3041902.0], [116.0497, 1214108.0], [117.0574, 623912.0], [118.05279, 352181.0], [118.06553, 2089902.0], [119.06059, 6016274.0], [121.07632, 4716914.0], [122.06017, 546355.0], [124.07606, 570495.0], [128.04958, 351035.0], [128.06239, 268794.0], [129.04503, 342815.0], [129.05762, 223642.0], [129.07021, 809903.0], [130.04021, 505143.0], [130.05293, 226615.0], [130.06528, 631733.0], [131.06062, 6745162.0], [132.06825, 1922003.0], [139.05466, 759207.0], [139.08679, 888214.0], [140.0497, 2660486.0], [141.05769, 432867.0], [142.06525, 4535240.0], [143.06068, 6551342.0], [143.07307, 827696.0], [146.06033, 239932.0], [146.0717, 582762.0], [147.07945, 1981982.0], [149.07127, 472905.0], [152.06248, 907036.0], [153.06992, 747588.0], [154.06532, 634466.0], [155.06065, 477098.0], [156.06825, 343240.0], [156.08081, 938982.0], [157.0762, 689823.0], [157.08888, 215289.0], [158.08434, 241364.0], [159.09198, 967686.0], [160.07613, 1334605.0], [165.05745, 274138.0], [166.06538, 1659086.0], [167.06058, 783829.0], [167.07332, 1978108.0], [168.06824, 5290008.0], [168.08109, 220063.0], [169.06438, 286507.0], [169.07619, 592750.0], [170.0968, 225887.0], [178.06569, 490619.0], [179.06082, 272597.0], [179.07304, 1573880.0], [180.08119, 4503916.0], [181.07629, 4276790.0], [181.08871, 558180.0], [182.08427, 8178091.0], [182.09682, 299282.0], [183.07944, 1118528.0], [183.09206, 3652070.0], [184.08746, 3084619.0], [184.09952, 366883.0], [185.0714, 378043.0], [190.06572, 671329.0], [191.06046, 256444.0], [191.07323, 287427.0], [192.06876, 5238670.0], [193.07642, 340761.0], [194.0717, 335171.0], [194.08405, 455850.0], [195.09225, 1664615.0], [196.0995, 1003846.0], [197.09528, 319437.0], [197.10789, 734438.0], [205.07669, 7605397.0], [206.08452, 12079029.0], [207.0798, 627312.0], [207.0918, 5892684.0], [208.08714, 6327165.0], [208.09923, 895713.0], [209.09537, 7619410.0], [221.09558, 532629.0], [222.10307, 5281894.0], [223.11121, 2054946.0], [224.119, 13923746.0]]}, {"scannumber": "1471", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C7H14N4O3", "inchikey": "YKBZOVFACRVRJN-ZCFIWIBFSA-N", "inchi": "", "smiles": "CN=C(NN(=O)=O)NCC1COCC1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"100.0872": "Theoretical m/z 100.086925, Mass diff 0 (2.75 ppm), SMILES N(=C(N)NCC)C, Annotation [C4H11N3-H]+, Rule of HR True", "112.08705": "Theoretical m/z 112.086923, Mass diff 0 (1.13 ppm), SMILES N(=C(N)NCCC)C, Annotation [C5H13N3-3H]+, Rule of HR True", "114.10273": "Theoretical m/z 114.102573, Mass diff 0 (1.38 ppm), SMILES N(=C(N)NCCC)C, Annotation [C5H13N3-H]+, Rule of HR True", "128.11842": "Theoretical m/z 128.118229, Mass diff 0 (1.49 ppm), SMILES N(=C(N)NCCCC)C, Annotation [C6H15N3-H]+, Rule of HR True", "203.11415": "Theoretical m/z 203.113859, Mass diff 0 (1.43 ppm), SMILES O=N(=O)NC(=NC)NCC1COCC1, Annotation [C7H14N4O3+H]+, Rule of HR True"}, "num_peaks": "13", "compound_name": "Dinotefuran", "retention_time": 1.502809, "precursor_mz": 203.1141, "collision_energy": "", "peaks_json": [[87.07939, 212770.0], [100.0872, 147065.0], [101.09495, 14292.0], [112.08705, 103076.0], [113.09509, 522233.0], [114.10273, 536607.0], [127.11057, 50518.0], [128.11842, 69200.0], [129.08989, 1106553.0], [129.12611, 128089.0], [157.12112, 345152.0], [173.11627, 46987.0], [203.11415, 399504.0]]}, {"scannumber": "8648", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C24H16N4O2F6", "inchikey": "MIFOMMKAVSCNKQ-UHFFFAOYSA-N", "inchi": "", "smiles": "N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.038575, Mass diff 0 (2.75 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-3H]+, Rule of HR True", "92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "110.06045": "Theoretical m/z 110.060041, Mass diff 0 (3.71 ppm), SMILES OC1=CC=C(N)C=C1, Annotation [C6H7NO+H]+, Rule of HR True", "116.0497": "Theoretical m/z 116.049472, Mass diff 0 (1.96 ppm), SMILES N#CC1=CC=C(C=C1)C, Annotation [C8H7N-H]+, Rule of HR True", "128.04958": "Theoretical m/z 128.049478, Mass diff 0 (0.8 ppm), SMILES N#CC1=CC=C(C=C1)CC, Annotation [C9H9N-3H]+, Rule of HR True", "159.04192": "Theoretical m/z 159.041614, Mass diff 0 (1.92 ppm), SMILES FC(F)(F)C=1C=CC=C(C1)C, Annotation [C8H7F3-H]+, Rule of HR True", "171.04201": "Theoretical m/z 171.04162, Mass diff 0 (2.28 ppm), SMILES FC(F)(F)C=1C=CC=C(C1)CC, Annotation [C9H9F3-3H]+, Rule of HR True", "174.05289": "Theoretical m/z 174.052504, Mass diff 0 (2.22 ppm), SMILES FC(F)(F)C=1C=CC=C(C=N)C1, Annotation [C8H6F3N+H]+, Rule of HR True", "176.03242": "Theoretical m/z 176.031772, Mass diff 0.001 (3.68 ppm), SMILES FC(F)(F)OC1=CC=C(N)C=C1, Annotation [C7H6F3NO-H]+, Rule of HR True", "177.04025": "Theoretical m/z 177.039597, Mass diff 0.001 (3.69 ppm), SMILES FC(F)(F)OC1=CC=C(N)C=C1, Annotation [C7H6F3NO]+, Rule of HR False", "178.04784": "Theoretical m/z 178.047422, Mass diff 0 (2.35 ppm), SMILES FC(F)(F)OC1=CC=C(N)C=C1, Annotation [C7H6F3NO+H]+, Rule of HR True", "190.065": "Theoretical m/z 190.065515, Mass diff 0 (0 ppm), Formula C6H9F5N", "191.07323": "Theoretical m/z 191.073299, Mass diff 0 (0 ppm), Formula C9H8FN4", "204.02695": "Theoretical m/z 204.027238, Mass diff 0 (0 ppm), Formula C8H5F3NO2", "219.09236": "Theoretical m/z 219.091678, Mass diff 0.001 (3.11 ppm), SMILES N#CC1=CC=C(C=C1)CC(=N)C=2C=CC=CC2, Annotation [C15H12N2-H]+, Rule of HR True", "220.05638": "Theoretical m/z 220.057395, Mass diff 0 (0 ppm), Formula C12H8F2NO", "221.05324": "Theoretical m/z 221.053236, Mass diff 0 (0.02 ppm), SMILES FC(F)(F)OC1=CC=C(C=C1)NC(=N)O, Annotation [C8H7F3N2O2+H]+, Rule of HR True", "233.05731": "Theoretical m/z 233.05781, Mass diff 0 (0 ppm), Formula C14H8F3", "238.06659": "Theoretical m/z 238.066817, Mass diff 0 (0 ppm), Formula C15H9FNO", "240.06252": "Theoretical m/z 240.063624, Mass diff 0.001 (0 ppm), Formula C12H9F3NO", "245.07082": "Theoretical m/z 245.071329, Mass diff 0 (0 ppm), Formula C8H10F5N2O", "247.06392": "Theoretical m/z 247.063129, Mass diff -0.001 (0 ppm), Formula C11H8FN4O2", "247.06705": "Theoretical m/z 247.067151, Mass diff 0 (0 ppm), Formula C16H8FN2", "260.0687": "Theoretical m/z 260.06817, Mass diff 0.001 (2.04 ppm), SMILES FC(F)(F)C=1C=CC=C(C1)C(=N)CC=2C=CC=CC2, Annotation [C15H12F3N-3H]+, Rule of HR True", "267.07318": "Theoretical m/z 267.072839, Mass diff 0 (1.28 ppm), SMILES N#CC1=CC=C(C=C1)CC(=N)C2=CC=CC(=C2)C(F)F, Annotation [C16H12F2N2-3H]+, Rule of HR True", "273.06406": "Theoretical m/z 273.065101, Mass diff 0 (0 ppm), Formula C12H9F4N2O", "273.07617": "Theoretical m/z 273.077086, Mass diff 0.001 (3.36 ppm), SMILES N#CC1=CC=C(C=C1)CC=NN=CNC2=CC=C(O)C=C2, Annotation [C16H14N4O-5H]+, Rule of HR True", "287.07932": "Theoretical m/z 287.079059, Mass diff 0 (0.91 ppm), SMILES N#CC1=CC=C(C=C1)CC(=N)C2=CC=CC(=C2)C(F)(F)F, Annotation [C16H11F3N2-H]+, Rule of HR True", "330.08609": "Theoretical m/z 330.084888, Mass diff 0.001 (3.64 ppm), SMILES N#CC1=CC=C(C=C1)CC(=NN=CO)C2=CC=CC(=C2)C(F)(F)F, Annotation [C17H12F3N3O-H]+, Rule of HR True"}, "num_peaks": "33", "compound_name": "Metaflumizone", "retention_time": 7.19479, "precursor_mz": 507.1251, "collision_energy": "", "peaks_json": [[89.03882, 112603.0], [92.0498, 159120.0], [93.0575, 96261.0], [110.06045, 137716.0], [116.0497, 2188022.0], [128.04958, 82526.0], [159.04192, 72170.0], [171.04201, 111513.0], [174.05289, 67561.0], [176.03242, 127986.0], [177.04025, 145377.0], [178.04784, 4081576.0], [190.065, 44917.0], [191.07323, 105042.0], [204.02695, 55744.0], [218.08452, 1276107.0], [219.09236, 53088.0], [220.05638, 42611.0], [221.05324, 329863.0], [233.05731, 59799.0], [238.06659, 64784.0], [240.06252, 447032.0], [245.07082, 222043.0], [247.06392, 273902.0], [247.06705, 1414469.0], [260.0687, 348712.0], [267.07318, 2569566.0], [273.06406, 84541.0], [273.07617, 78440.0], [286.07156, 143270.0], [287.07932, 2154516.0], [288.0871, 575359.0], [330.08609, 207585.0]]}, {"scannumber": "3592", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H21NO4", "inchikey": "ZQEIXNIJLIKNTD-LBPRGKRZSA-N", "inchi": "", "smiles": "COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05441": "Theoretical m/z 91.054226, Mass diff 0 (2.03 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "105.06991": "Theoretical m/z 105.069873, Mass diff 0 (0.35 ppm), SMILES C=1C=C(C=C(C1)C)C, Annotation [C8H10-H]+, Rule of HR True", "117.0574": "Theoretical m/z 117.057301, Mass diff 0 (0.85 ppm), SMILES NC=1C(=CC=CC1C)C, Annotation [C8H11N-4H]+, Rule of HR False", "118.06519": "Theoretical m/z 118.065126, Mass diff 0 (0.54 ppm), SMILES NC=1C(=CC=CC1C)C, Annotation [C8H11N-3H]+, Rule of HR True", "119.0857": "Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11", "120.081": "Theoretical m/z 120.080776, Mass diff 0 (1.87 ppm), SMILES NC=1C(=CC=CC1C)C, Annotation [C8H11N-H]+, Rule of HR True", "121.08883": "Theoretical m/z 121.088601, Mass diff 0 (1.89 ppm), SMILES NC=1C(=CC=CC1C)C, Annotation [C8H11N]+, Rule of HR False", "130.06528": "Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N", "131.0731": "Theoretical m/z 131.073499, Mass diff 0 (0 ppm), Formula C9H9N", "132.08089": "Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N", "133.08878": "Theoretical m/z 133.089149, Mass diff 0 (0 ppm), Formula C9H11N", "134.09659": "Theoretical m/z 134.096974, Mass diff 0 (0 ppm), Formula C9H12N", "144.08099": "Theoretical m/z 144.081324, Mass diff 0 (0 ppm), Formula C10H10N", "145.08881": "Theoretical m/z 145.088604, Mass diff 0 (1.42 ppm), SMILES C=1C=C(C(NCC)=C(C1)C)C, Annotation [C10H15N-4H]+, Rule of HR False", "146.09682": "Theoretical m/z 146.096429, Mass diff 0 (2.68 ppm), SMILES C=1C=C(C(NCC)=C(C1)C)C, Annotation [C10H15N-3H]+, Rule of HR True", "148.11217": "Theoretical m/z 148.112079, Mass diff 0 (0.61 ppm), SMILES C=1C=C(C(NCC)=C(C1)C)C, Annotation [C10H15N-H]+, Rule of HR True", "150.09151": "Theoretical m/z 150.091337, Mass diff 0 (1.15 ppm), SMILES O=CNC=1C(=CC=CC1C)C, Annotation [C9H11NO+H]+, Rule of HR True", "158.0966": "Theoretical m/z 158.096974, Mass diff 0 (0 ppm), Formula C11H12N", "160.11201": "Theoretical m/z 160.112624, Mass diff 0 (0 ppm), Formula C11H14N", "162.12798": "Theoretical m/z 162.128275, Mass diff 0 (0 ppm), Formula C11H16N", "164.10716": "Theoretical m/z 164.106993, Mass diff 0 (1.02 ppm), SMILES O=C(NC=1C(=CC=CC1C)C)C, Annotation [C10H13NO+H]+, Rule of HR True", "192.13879": "Theoretical m/z 192.138288, Mass diff 0 (2.61 ppm), SMILES O=C(N(C=1C(=CC=CC1C)C)CC)C, Annotation [C12H17NO+H]+, Rule of HR True", "220.13348": "Theoretical m/z 220.133213, Mass diff 0 (1.21 ppm), SMILES O=C(N(C=1C(=CC=CC1C)C)CC)COC, Annotation [C13H19NO2-H]+, Rule of HR True"}, "num_peaks": "24", "compound_name": "Metalaxyl", "retention_time": 5.550616, "precursor_mz": 280.1547, "collision_energy": "", "peaks_json": [[91.05441, 81742.0], [105.06991, 446715.0], [117.0574, 85397.0], [118.06519, 181419.0], [119.0857, 203031.0], [120.081, 86040.0], [121.08883, 168662.0], [130.06528, 459915.0], [131.0731, 294735.0], [132.08089, 1629425.0], [133.08878, 1053467.0], [134.09659, 2186175.0], [144.08099, 390383.0], [145.08881, 2412390.0], [146.09682, 729220.0], [147.10434, 123350.0], [148.11217, 2255058.0], [150.09151, 223495.0], [158.0966, 105904.0], [160.11201, 8036024.0], [162.12798, 1800051.0], [164.10716, 139534.0], [192.13879, 614235.0], [220.13348, 136200.0]]}, {"scannumber": "4181", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H17N4Cl", "inchikey": "HZJKXKUJVSEEFU-HNNXBMFYSA-N", "inchi": "", "smiles": "CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5", "98.99973": "Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl", "115.05431": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "116.06212": "Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8", "125.01533": "Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl", "128.04958": "Theoretical m/z 128.050024, Mass diff 0 (0 ppm), Formula C9H6N", "130.06528": "Theoretical m/z 130.065674, Mass diff 0 (0 ppm), Formula C9H8N", "137.01562": "Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl", "149.01559": "Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl", "150.0106": "Theoretical m/z 150.010502, Mass diff 0 (0.66 ppm), SMILES N#CCC1=CC=C(Cl)C=C1, Annotation [C8H6ClN-H]+, Rule of HR True", "151.03107": "Theoretical m/z 151.031453, Mass diff 0 (0 ppm), Formula C9H8Cl", "153.06992": "Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9", "164.02652": "Theoretical m/z 164.026157, Mass diff 0 (2.21 ppm), SMILES N#CC(C1=CC=C(Cl)C=C1)C, Annotation [C9H8ClN-H]+, Rule of HR True", "166.04185": "Theoretical m/z 166.041807, Mass diff 0 (0.26 ppm), SMILES N#CC(C1=CC=C(Cl)C=C1)C, Annotation [C9H8ClN+H]+, Rule of HR True", "175.03131": "Theoretical m/z 175.031453, Mass diff 0 (0 ppm), Formula C11H8Cl", "178.04208": "Theoretical m/z 178.041797, Mass diff 0 (1.59 ppm), SMILES N#CC(C1=CC=C(Cl)C=C1)(C)C, Annotation [C10H10ClN-H]+, Rule of HR True"}, "num_peaks": "18", "compound_name": "Myclobutanil", "retention_time": 6.259462, "precursor_mz": 289.1221, "collision_energy": "", "peaks_json": [[89.03882, 46919.0], [98.99973, 29039.0], [115.05431, 84807.0], [116.06212, 93918.0], [125.01308, 47666.0], [125.01533, 2894088.0], [128.04958, 45144.0], [130.06528, 66651.0], [137.01562, 42490.0], [149.01559, 47429.0], [150.0106, 90969.0], [151.03107, 531808.0], [153.06992, 32172.0], [164.02652, 222253.0], [166.04185, 38601.0], [168.09337, 31175.0], [175.03131, 41390.0], [178.04208, 93247.0]]}, {"scannumber": "3029", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H18N2O4", "inchikey": "UWVQIROCRJWDKL-UHFFFAOYSA-N", "inchi": "", "smiles": "COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"102.05517": "Theoretical m/z 102.055503, Mass diff 0 (0 ppm), Formula C4H8NO2", "132.08089": "Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N", "133.08878": "Theoretical m/z 133.089149, Mass diff 0 (0 ppm), Formula C9H11N", "160.07613": "Theoretical m/z 160.075693, Mass diff 0 (2.73 ppm), SMILES O=C(NC=1C(=CC=CC1C)C)C, Annotation [C10H13NO-3H]+, Rule of HR True", "192.10234": "Theoretical m/z 192.101902, Mass diff 0 (2.28 ppm), SMILES O=C(NC=1C(=CC=CC1C)C)COC, Annotation [C11H15NO2-H]+, Rule of HR True", "219.11325": "Theoretical m/z 219.112802, Mass diff 0 (2.05 ppm), SMILES O=C(N(NC)C=1C(=CC=CC1C)C)COC, Annotation [C12H18N2O2-3H]+, Rule of HR True", "279.13367": "Theoretical m/z 279.133924, Mass diff 0 (0.91 ppm), SMILES O=C1OCCN1N(C(=O)COC)C=2C(=CC=CC2C)C, Annotation [C14H18N2O4+H]+, Rule of HR True"}, "num_peaks": "7", "compound_name": "Oxadixyl", "retention_time": 4.402048, "precursor_mz": 279.1344, "collision_energy": "", "peaks_json": [[102.05517, 448694.0], [132.08089, 139055.0], [133.08878, 111093.0], [160.07613, 49235.0], [192.10234, 94587.0], [219.11325, 4470994.0], [279.13367, 216370.0]]}, {"scannumber": "7968", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H16N3O2Cl3", "inchikey": "TVLSRXXIMLFWEO-UHFFFAOYSA-N", "inchi": "", "smiles": "CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"265.95453": "Theoretical m/z 265.953693, Mass diff 0.001 (3.15 ppm), SMILES O=CNCCOC=1C(Cl)=CC(Cl)=CC1Cl, Annotation [C9H8Cl3NO2-H]+, Rule of HR True", "308.00125": "Theoretical m/z 308.000629, Mass diff 0.001 (2.02 ppm), SMILES O=CN(CCOC=1C(Cl)=CC(Cl)=CC1Cl)CCC, Annotation [C12H14Cl3NO2-H]+, Rule of HR True", "376.03964": "Theoretical m/z 376.038099, Mass diff 0.002 (4.1 ppm), SMILES O=C(N1C=NC=C1)N(CCOC=2C(Cl)=CC(Cl)=CC2Cl)CCC, Annotation [C15H16Cl3N3O2+H]+, Rule of HR True"}, "num_peaks": "3", "compound_name": "Prochloraz", "retention_time": 7.089308, "precursor_mz": 376.0388, "collision_energy": "", "peaks_json": [[265.95453, 2776909.0], [308.00125, 53942956.0], [376.03964, 3704219.0]]}, {"scannumber": "2214", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H19N5O", "inchikey": "ISEUFVQQFVOBCY-UHFFFAOYSA-N", "inchi": "", "smiles": "COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.05116": "Theoretical m/z 85.051421, Mass diff 0 (0 ppm), Formula C2H5N4", "85.07622": "Theoretical m/z 85.076023, Mass diff 0 (2.32 ppm), SMILES N(=CN)C(C)C, Annotation [C4H10N2-H]+, Rule of HR True", "86.03511": "Theoretical m/z 86.035437, Mass diff 0 (0 ppm), Formula C2H4N3O", "96.05572": "Theoretical m/z 96.056172, Mass diff 0 (0 ppm), Formula C4H6N3", "97.03974": "Theoretical m/z 97.040188, Mass diff 0 (0 ppm), Formula C4H5N2O", "99.06665": "Theoretical m/z 99.067071, Mass diff 0 (0 ppm), Formula C3H7N4", "100.05066": "Theoretical m/z 100.050541, Mass diff 0 (1.19 ppm), SMILES N=CNC(=N)OC, Annotation [C3H7N3O-H]+, Rule of HR True", "110.04619": "Theoretical m/z 110.04667, Mass diff 0 (0 ppm), Formula C3H4N5", "110.0716": "Theoretical m/z 110.071275, Mass diff 0 (2.95 ppm), SMILES N=CNC=NC(C)C, Annotation [C5H11N3-3H]+, Rule of HR True", "114.06643": "Theoretical m/z 114.066188, Mass diff 0 (2.12 ppm), SMILES N1=C(OC)NCNC1, Annotation [C4H9N3O-H]+, Rule of HR True", "128.08185": "Theoretical m/z 128.081836, Mass diff 0 (0.11 ppm), SMILES N=C(OC)NC=NCC, Annotation [C5H11N3O-H]+, Rule of HR True", "138.07761": "Theoretical m/z 138.077422, Mass diff 0 (1.36 ppm), SMILES N=C(N)NC(=NC(C)C)N, Annotation [C5H13N5-5H]+, Rule of HR True", "142.07253": "Theoretical m/z 142.07234, Mass diff 0 (1.34 ppm), SMILES N=C1N=C(OC)NC(=N)N1, Annotation [C4H7N5O+H]+, Rule of HR True", "168.0881": "Theoretical m/z 168.087986, Mass diff 0 (0.68 ppm), SMILES N=C1N=C(OC)NC(=NCC)N1, Annotation [C6H11N5O-H]+, Rule of HR True", "170.10394": "Theoretical m/z 170.103636, Mass diff 0 (1.79 ppm), SMILES N=C1N=C(OC)NC(=NCC)N1, Annotation [C6H11N5O+H]+, Rule of HR True", "184.11964": "Theoretical m/z 184.119291, Mass diff 0 (1.89 ppm), SMILES N=C1N=C(OC)NC(=NC(C)C)N1, Annotation [C7H13N5O+H]+, Rule of HR True"}, "num_peaks": "16", "compound_name": "Prometon_1", "retention_time": 3.185351, "precursor_mz": 226.1667, "collision_energy": "", "peaks_json": [[85.05116, 254026.0], [85.07622, 1248785.0], [86.03511, 7693232.0], [96.05572, 2045746.0], [97.03974, 2776563.0], [99.06665, 1175450.0], [100.05066, 9824308.0], [110.04619, 496522.0], [110.0716, 223643.0], [114.06643, 4195590.0], [128.08185, 3094754.0], [138.07761, 783556.0], [142.07253, 19868644.0], [168.0881, 278497.0], [170.10394, 12296676.0], [184.11964, 1858746.0]]}, {"scannumber": "2376", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H19N5O", "inchikey": "ISEUFVQQFVOBCY-UHFFFAOYSA-N", "inchi": "", "smiles": "COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.05116": "Theoretical m/z 85.051421, Mass diff 0 (0 ppm), Formula C2H5N4", "85.07622": "Theoretical m/z 85.076023, Mass diff 0 (2.32 ppm), SMILES N(=CN)C(C)C, Annotation [C4H10N2-H]+, Rule of HR True", "86.03511": "Theoretical m/z 86.035437, Mass diff 0 (0 ppm), Formula C2H4N3O", "96.05572": "Theoretical m/z 96.056172, Mass diff 0 (0 ppm), Formula C4H6N3", "97.03974": "Theoretical m/z 97.040188, Mass diff 0 (0 ppm), Formula C4H5N2O", "99.06665": "Theoretical m/z 99.067071, Mass diff 0 (0 ppm), Formula C3H7N4", "100.05066": "Theoretical m/z 100.050541, Mass diff 0 (1.19 ppm), SMILES N=CNC(=N)OC, Annotation [C3H7N3O-H]+, Rule of HR True", "110.04619": "Theoretical m/z 110.04667, Mass diff 0 (0 ppm), Formula C3H4N5", "110.0716": "Theoretical m/z 110.071275, Mass diff 0 (2.95 ppm), SMILES N=CNC=NC(C)C, Annotation [C5H11N3-3H]+, Rule of HR True", "113.0825": "Theoretical m/z 113.082721, Mass diff 0 (0 ppm), Formula C4H9N4", "114.06643": "Theoretical m/z 114.066188, Mass diff 0 (2.12 ppm), SMILES N1=C(OC)NCNC1, Annotation [C4H9N3O-H]+, Rule of HR True", "125.0461": "Theoretical m/z 125.045785, Mass diff 0 (2.52 ppm), SMILES N=C1NC(=NCN1)OC, Annotation [C4H8N4O-3H]+, Rule of HR True", "127.09787": "Theoretical m/z 127.097828, Mass diff 0 (0.33 ppm), SMILES N=CNC(=NC(C)C)N, Annotation [C5H12N4-H]+, Rule of HR True", "128.08185": "Theoretical m/z 128.081836, Mass diff 0 (0.11 ppm), SMILES N=C(OC)NC=NCC, Annotation [C5H11N3O-H]+, Rule of HR True", "138.07761": "Theoretical m/z 138.077422, Mass diff 0 (1.36 ppm), SMILES N=C(N)NC(=NC(C)C)N, Annotation [C5H13N5-5H]+, Rule of HR True", "142.07253": "Theoretical m/z 142.07234, Mass diff 0 (1.34 ppm), SMILES N=C1N=C(OC)NC(=N)N1, Annotation [C4H7N5O+H]+, Rule of HR True", "153.07755": "Theoretical m/z 153.077081, Mass diff 0 (3.06 ppm), SMILES N1=C(OC)NC(=NCC)NC1, Annotation [C6H12N4O-3H]+, Rule of HR True", "168.0881": "Theoretical m/z 168.087986, Mass diff 0 (0.68 ppm), SMILES N=C1N=C(OC)NC(=NCC)N1, Annotation [C6H11N5O-H]+, Rule of HR True", "170.10394": "Theoretical m/z 170.103636, Mass diff 0 (1.79 ppm), SMILES N=C1N=C(OC)NC(=NCC)N1, Annotation [C6H11N5O+H]+, Rule of HR True", "184.11964": "Theoretical m/z 184.119291, Mass diff 0 (1.89 ppm), SMILES N=C1N=C(OC)NC(=NC(C)C)N1, Annotation [C7H13N5O+H]+, Rule of HR True", "226.16615": "Theoretical m/z 226.166243, Mass diff 0 (0.41 ppm), SMILES N=1C(=NC(C)C)NC(=NC(C)C)NC1OC, Annotation [C10H19N5O+H]+, Rule of HR True"}, "num_peaks": "22", "compound_name": "Prometon_2", "retention_time": 3.288845, "precursor_mz": 226.1663, "collision_energy": "", "peaks_json": [[85.05116, 203704.0], [85.07622, 1795800.0], [86.03511, 4360152.0], [96.05572, 3992152.0], [97.03974, 3296917.0], [99.06665, 489124.0], [100.05066, 11922340.0], [110.04619, 311190.0], [110.0716, 143123.0], [113.0825, 152844.0], [114.06643, 5615716.0], [125.0461, 170765.0], [127.09787, 169642.0], [128.08185, 4145137.0], [129.0112, 167032.0], [138.07761, 953215.0], [142.07253, 8482599.0], [153.07755, 208846.0], [168.0881, 343548.0], [170.10394, 12923365.0], [184.11964, 137608.0], [226.16615, 243943.0]]}, {"scannumber": "1328", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H11N5O", "inchikey": "QHMTXANCGGJZRX-UHFFFAOYSA-N", "inchi": "", "smiles": "CC1=NN=C(N(C1)N=Cc1cccnc1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"96.04461": "Theoretical m/z 96.044939, Mass diff 0 (0 ppm), Formula C5H6NO", "105.04506": "Theoretical m/z 105.044727, Mass diff 0 (3.17 ppm), SMILES N=CC=1C=NC=CC1, Annotation [C6H6N2-H]+, Rule of HR True"}, "num_peaks": "2", "compound_name": "Pymetrozine", "retention_time": 1.373368, "precursor_mz": 218.1044, "collision_energy": "", "peaks_json": [[96.04461, 383408.0], [105.04506, 15166273.0]]}, {"scannumber": "3243", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C13H15NO2", "inchikey": "YPCALTGLHFLNGA-UHFFFAOYSA-N", "inchi": "", "smiles": "OC(=Nc1ccccc1)C1=C(C)OCCC1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"95.04928": "Theoretical m/z 95.049142, Mass diff 0 (1.45 ppm), SMILES O1C=C(C)CCC1, Annotation [C6H10O-3H]+, Rule of HR True", "97.02871": "Theoretical m/z 97.028403, Mass diff 0 (3.16 ppm), SMILES OCC=C(OC)C, Annotation [C5H10O2-5H]+, Rule of HR True", "97.06489": "Theoretical m/z 97.064792, Mass diff 0 (1.01 ppm), SMILES O1C(=CCCC1)C, Annotation [C6H10O-H]+, Rule of HR True", "107.04936": "Theoretical m/z 107.04969, Mass diff 0 (0 ppm), Formula C7H7O", "125.05998": "Theoretical m/z 125.060255, Mass diff 0 (0 ppm), Formula C7H9O2"}, "num_peaks": "8", "compound_name": "Pyracarbolid", "retention_time": 4.72542, "precursor_mz": 218.1182, "collision_energy": "", "peaks_json": [[92.04956, 222486.0], [95.04928, 559755.0], [97.02871, 2882447.0], [97.06489, 514552.0], [105.04477, 279492.0], [107.04936, 2653095.0], [115.03907, 949155.0], [125.05998, 14590636.0]]}, {"scannumber": "3684", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H13N3", "inchikey": "ZLIBICFPKPWGIZ-UHFFFAOYSA-N", "inchi": "", "smiles": "Cc1cc(C)nc(n1)Nc1ccccc1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05441": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "105.04505": "Theoretical m/z 105.045273, Mass diff 0 (0 ppm), Formula C6H5N2", "107.06065": "Theoretical m/z 107.060375, Mass diff 0 (2.57 ppm), SMILES N=1C=NC(=CC1C)C, Annotation [C6H8N2-H]+, Rule of HR True", "115.05464": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "116.0497": "Theoretical m/z 116.050024, Mass diff 0 (0 ppm), Formula C8H6N", "117.0574": "Theoretical m/z 117.057849, Mass diff 0 (0 ppm), Formula C8H7N", "118.05279": "Theoretical m/z 118.05255, Mass diff 0 (2.03 ppm), SMILES N=CNC=1C=CC=CC1, Annotation [C7H8N2-2H]+, Rule of HR False", "118.06519": "Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N", "119.06059": "Theoretical m/z 119.060375, Mass diff 0 (1.81 ppm), SMILES N=CNC=1C=CC=CC1, Annotation [C7H8N2-H]+, Rule of HR True", "129.07021": "Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9", "131.06062": "Theoretical m/z 131.060373, Mass diff 0 (1.89 ppm), SMILES N(=CNC=1C=CC=CC1)C, Annotation [C8H10N2-3H]+, Rule of HR True", "132.08089": "Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N", "139.05466": "Theoretical m/z 139.054775, Mass diff 0 (0 ppm), Formula C11H7", "140.0497": "Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N", "141.05769": "Theoretical m/z 141.057849, Mass diff 0 (0 ppm), Formula C10H7N", "142.06525": "Theoretical m/z 142.065674, Mass diff 0 (0 ppm), Formula C10H8N", "143.06068": "Theoretical m/z 143.060373, Mass diff 0 (2.15 ppm), SMILES N(C=C)=CNC=1C=CC=CC1, Annotation [C9H10N2-3H]+, Rule of HR True", "143.07307": "Theoretical m/z 143.073499, Mass diff 0 (0 ppm), Formula C10H9N", "154.06532": "Theoretical m/z 154.065674, Mass diff 0 (0 ppm), Formula C11H8N", "155.06065": "Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2", "156.06825": "Theoretical m/z 156.068203, Mass diff 0 (0.3 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C, Annotation [C10H12N2-4H]+, Rule of HR False", "156.08081": "Theoretical m/z 156.081324, Mass diff 0 (0 ppm), Formula C11H10N", "158.08434": "Theoretical m/z 158.083853, Mass diff 0 (3.08 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C, Annotation [C10H12N2-2H]+, Rule of HR False", "158.0966": "Theoretical m/z 158.096974, Mass diff 0 (0 ppm), Formula C11H12N", "159.09198": "Theoretical m/z 159.091678, Mass diff 0 (1.9 ppm), SMILES N(=CNC=1C=CC=CC1)C(=C)C, Annotation [C10H12N2-H]+, Rule of HR True", "166.06538": "Theoretical m/z 166.065674, Mass diff 0 (0 ppm), Formula C12H8N", "168.06824": "Theoretical m/z 168.068193, Mass diff 0 (0.28 ppm), SMILES N(C=CCC)=CNC=1C=CC=CC1, Annotation [C11H14N2-6H]+, Rule of HR False", "173.10771": "Theoretical m/z 173.107319, Mass diff 0 (2.26 ppm), SMILES N(C=CCC)=CNC=1C=CC=CC1, Annotation [C11H14N2-H]+, Rule of HR True", "181.07629": "Theoretical m/z 181.076573, Mass diff 0 (0 ppm), Formula C12H9N2", "182.08427": "Theoretical m/z 182.084398, Mass diff 0 (0 ppm), Formula C12H10N2", "183.09206": "Theoretical m/z 183.092223, Mass diff 0 (0 ppm), Formula C12H11N2", "184.08679": "Theoretical m/z 184.086918, Mass diff 0 (0.69 ppm), SMILES N=1C=CC(=NC1NC=2C=CC=CC2)C, Annotation [C11H11N3-H]+, Rule of HR True", "198.10313": "Theoretical m/z 198.103122, Mass diff -0.001 (0 ppm), Formula C12H12N3", "200.11862": "Theoretical m/z 200.118223, Mass diff 0 (1.98 ppm), SMILES N=1C(=NC(=CC1C)C)NC=2C=CC=CC2, Annotation [C12H13N3+H]+, Rule of HR True"}, "num_peaks": "43", "compound_name": "Pyrimethanil", "retention_time": 5.598423, "precursor_mz": 200.1186, "collision_energy": "", "peaks_json": [[91.05441, 269141.0], [92.0498, 1006183.0], [93.0575, 798806.0], [95.04928, 864623.0], [105.04505, 538940.0], [107.06065, 6806452.0], [115.05464, 651194.0], [116.0497, 189558.0], [117.0574, 297627.0], [118.05279, 470418.0], [118.06519, 941436.0], [119.06059, 1862863.0], [125.07124, 2658422.0], [129.07021, 373721.0], [131.06062, 510426.0], [132.08089, 163131.0], [139.05466, 180641.0], [140.0497, 332716.0], [141.05769, 348146.0], [142.06525, 1271766.0], [143.06068, 2584610.0], [143.07307, 643411.0], [154.06532, 150404.0], [155.06065, 150810.0], [156.06825, 358067.0], [156.08081, 843618.0], [158.08434, 235445.0], [158.0966, 250403.0], [159.09198, 1057014.0], [166.06538, 692025.0], [167.07332, 885398.0], [168.06824, 6869380.0], [173.10771, 334158.0], [173.50755, 193551.0], [181.07629, 2021052.0], [182.08163, 471666.0], [182.08427, 7602030.0], [183.09206, 8147444.0], [184.08679, 232595.0], [185.09505, 609372.0], [198.10313, 499158.0], [199.11044, 154902.0], [200.11862, 13352280.0]]}, {"scannumber": "10159", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C20H19NO3", "inchikey": "NHDHVHZZCFYRSB-INIZCTEOSA-N", "inchi": "", "smiles": "CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05465": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "95.04953": "Theoretical m/z 95.049139, Mass diff 0 (4.11 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "96.04461": "Theoretical m/z 96.044393, Mass diff 0 (2.25 ppm), SMILES OC1=NC=CC=C1, Annotation [C5H5NO+H]+, Rule of HR True", "105.0702": "Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9", "115.05464": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "119.04944": "Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O", "128.06239": "Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8", "129.07021": "Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9", "133.06531": "Theoretical m/z 133.064798, Mass diff 0.001 (3.85 ppm), SMILES O(C=1C=CC=CC1)CCC, Annotation [C9H12O-3H]+, Rule of HR True", "134.07285": "Theoretical m/z 134.072623, Mass diff 0 (1.69 ppm), SMILES O(C=1C=CC=CC1)CCC, Annotation [C9H12O-2H]+, Rule of HR False", "141.07028": "Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9", "153.07043": "Theoretical m/z 153.070425, Mass diff -0.001 (0 ppm), Formula C12H9", "157.06509": "Theoretical m/z 157.06534, Mass diff 0 (0 ppm), Formula C11H9O", "181.06517": "Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O", "185.05991": "Theoretical m/z 185.059711, Mass diff 0 (1.07 ppm), SMILES OC1=CC=C(OC=2C=CC=CC2)C=C1, Annotation [C12H10O2-H]+, Rule of HR True", "194.07315": "Theoretical m/z 194.073165, Mass diff -0.001 (0 ppm), Formula C14H10O", "199.07576": "Theoretical m/z 199.075351, Mass diff 0 (2.05 ppm), SMILES O(C=1C=CC=CC1)C2=CC=C(OC)C=C2, Annotation [C13H12O2-H]+, Rule of HR True"}, "num_peaks": "21", "compound_name": "Pyriproxyfen", "retention_time": 7.483148, "precursor_mz": 322.1441, "collision_energy": "", "peaks_json": [[91.05465, 1995486.0], [95.04953, 2794273.0], [96.04461, 57722984.0], [105.04505, 1487815.0], [105.0702, 2138528.0], [115.05464, 2166874.0], [119.04944, 13154060.0], [128.06239, 2789226.0], [129.07021, 18069414.0], [133.06531, 2250340.0], [134.07285, 5007071.0], [141.07028, 4802710.0], [153.07043, 578116.0], [155.06065, 601649.0], [157.06509, 3489445.0], [170.07298, 834102.0], [181.06517, 682957.0], [185.05991, 13867037.0], [186.06801, 602621.0], [194.07315, 653455.0], [199.07576, 804230.0]]}, {"scannumber": "5448", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H19NO2", "inchikey": "BCTQJXQXJVLSIG-UHFFFAOYSA-N", "inchi": "", "smiles": "CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05465": "Theoretical m/z 91.054226, Mass diff 0 (4.66 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "107.04936": "Theoretical m/z 107.049144, Mass diff 0 (2.01 ppm), SMILES OCC=1C=CC=CC1, Annotation [C7H8O-H]+, Rule of HR True", "108.0449": "Theoretical m/z 108.044391, Mass diff 0.001 (4.71 ppm), SMILES OC1=CC=CC(N)=C1, Annotation [C6H7NO-H]+, Rule of HR True", "109.0651": "Theoretical m/z 109.064794, Mass diff 0 (2.8 ppm), SMILES OCC=1C=CC=CC1, Annotation [C7H8O+H]+, Rule of HR True", "111.04436": "Theoretical m/z 111.044604, Mass diff 0 (0 ppm), Formula C6H7O2", "119.04979": "Theoretical m/z 119.04969, Mass diff -0.001 (0 ppm), Formula C8H7O", "136.03949": "Theoretical m/z 136.03931, Mass diff 0 (1.32 ppm), SMILES OC=NC=1C=CC=C(O)C1, Annotation [C7H7NO2-H]+, Rule of HR True"}, "num_peaks": "8", "compound_name": "Mepronil", "retention_time": 6.63015, "precursor_mz": 270.1492, "collision_energy": "", "peaks_json": [[91.05465, 4818532.0], [107.04936, 268915.0], [108.0449, 232011.0], [109.0651, 1528311.0], [111.04436, 177960.0], [119.04979, 16405699.0], [119.0592, 353581.0], [136.03949, 166339.0]]}, {"scannumber": "3190", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C18H35NO2", "inchikey": "PUYXTUJWRLOUCW-PQUAAJSLSA-N", "inchi": "", "smiles": "CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"100.11219": "Theoretical m/z 100.112072, Mass diff 0 (1.18 ppm), SMILES N(C)(CC)CCC, Annotation [C6H15N-H]+, Rule of HR True", "102.09142": "Theoretical m/z 102.091343, Mass diff 0 (0.76 ppm), SMILES OCCN(C)CC, Annotation [C5H13NO-H]+, Rule of HR True", "126.12786": "Theoretical m/z 126.127725, Mass diff 0 (1.07 ppm), SMILES N(CC)(CCC)CCC, Annotation [C8H19N-3H]+, Rule of HR True", "144.13857": "Theoretical m/z 144.138294, Mass diff 0 (1.92 ppm), SMILES OC(C)CN(CC)CCC, Annotation [C8H19NO-H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Spiroxamine_2", "retention_time": 4.628222, "precursor_mz": 298.2747, "collision_energy": "", "peaks_json": [[100.11219, 10585697.0], [102.09142, 415934.0], [126.12786, 286929.0], [144.13857, 10367585.0]]}, {"scannumber": "8797", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C18H24N3OCl", "inchikey": "ZZYSLNWGKKDOML-UHFFFAOYSA-N", "inchi": "", "smiles": "CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"90.01088": "Theoretical m/z 90.010502, Mass diff 0 (4.2 ppm), SMILES ClC=CNC, Annotation [C3H6ClN-H]+, Rule of HR True", "91.05441": "Theoretical m/z 91.054226, Mass diff 0 (2.03 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "105.0702": "Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9", "107.08593": "Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11", "117.02172": "Theoretical m/z 117.021398, Mass diff 0 (2.75 ppm), SMILES ClC=1C=NN(C1)C, Annotation [C4H5ClN2+H]+, Rule of HR True", "117.06997": "Theoretical m/z 117.069879, Mass diff 0 (0.78 ppm), SMILES C=1C=CC(=CC1)C(C)C, Annotation [C9H12-3H]+, Rule of HR True", "119.0857": "Theoretical m/z 119.085529, Mass diff 0 (1.44 ppm), SMILES C=1C=CC(=CC1)C(C)C, Annotation [C9H12-H]+, Rule of HR True", "130.02946": "Theoretical m/z 130.029221, Mass diff 0 (1.84 ppm), SMILES ClC1=CNN=C1CC, Annotation [C5H7ClN2]+, Rule of HR False", "131.08559": "Theoretical m/z 131.085519, Mass diff 0 (0.54 ppm), SMILES C=1C=C(C=CC1C)C(C)C, Annotation [C10H14-3H]+, Rule of HR True", "132.09351": "Theoretical m/z 132.093344, Mass diff 0 (1.26 ppm), SMILES C=1C=CC(=CC1)C(C)(C)C, Annotation [C10H14-2H]+, Rule of HR False", "145.05318": "Theoretical m/z 145.052702, Mass diff 0 (3.3 ppm), SMILES ClC1=CN(N=C1CC)C, Annotation [C6H9ClN2+H]+, Rule of HR True", "145.10149": "Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13", "147.11679": "Theoretical m/z 147.116825, Mass diff 0 (0.24 ppm), SMILES C=1C=C(C=CC1C)C(C)(C)C, Annotation [C11H16-H]+, Rule of HR True", "171.03239": "Theoretical m/z 171.031971, Mass diff 0 (2.45 ppm), SMILES O=CC1=C(Cl)C(=NN1C)CC, Annotation [C7H9ClN2O-H]+, Rule of HR True", "188.05853": "Theoretical m/z 188.058515, Mass diff 0 (0.08 ppm), SMILES O=C(N)C1=C(Cl)C(=NN1C)CC, Annotation [C7H10ClN3O+H]+, Rule of HR True", "200.05861": "Theoretical m/z 200.058521, Mass diff 0 (0.45 ppm), SMILES O=C(NC)C1=C(Cl)C(=NN1C)CC, Annotation [C8H12ClN3O-H]+, Rule of HR True", "334.16821": "Theoretical m/z 334.168074, Mass diff 0 (0.41 ppm), SMILES O=C(NCC1=CC=C(C=C1)C(C)(C)C)C2=C(Cl)C(=NN2C)CC, Annotation [C18H24ClN3O+H]+, Rule of HR True"}, "num_peaks": "17", "compound_name": "Tebufenpyrad", "retention_time": 7.223254, "precursor_mz": 334.1692, "collision_energy": "", "peaks_json": [[90.01088, 682936.0], [91.05441, 694638.0], [105.0702, 2926113.0], [107.08593, 482744.0], [117.02172, 17275010.0], [117.06997, 1213127.0], [119.0857, 4335492.0], [130.02946, 271510.0], [131.08559, 179894.0], [132.09351, 4494128.0], [145.05318, 15327344.0], [145.10149, 224176.0], [147.11679, 8812113.0], [171.03239, 1499108.0], [188.05853, 456215.0], [200.05861, 396435.0], [334.16821, 933979.0]]}, {"scannumber": "2214", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H19N5O", "inchikey": "BCQMBFHBDZVHKU-UHFFFAOYSA-N", "inchi": "", "smiles": "CCN=c1nc([nH]c(n1)OC)NC(C)(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.05116": "Theoretical m/z 85.051421, Mass diff 0 (0 ppm), Formula C2H5N4", "85.07622": "Theoretical m/z 85.076025, Mass diff 0 (2.29 ppm), SMILES N(=C)C=NCC, Annotation [C4H8N2+H]+, Rule of HR True", "86.03511": "Theoretical m/z 86.035437, Mass diff 0 (0 ppm), Formula C2H4N3O", "96.05572": "Theoretical m/z 96.05562, Mass diff 0 (1.05 ppm), SMILES N(C=NCC)=CN, Annotation [C4H9N3-3H]+, Rule of HR True", "97.03974": "Theoretical m/z 97.039636, Mass diff 0 (1.07 ppm), SMILES N(C=NC)=COC, Annotation [C4H8N2O-3H]+, Rule of HR True", "99.06665": "Theoretical m/z 99.067071, Mass diff 0 (0 ppm), Formula C3H7N4", "100.05066": "Theoretical m/z 100.050541, Mass diff 0 (1.19 ppm), SMILES N=CN=C(OC)N, Annotation [C3H7N3O-H]+, Rule of HR True", "110.04619": "Theoretical m/z 110.04667, Mass diff 0 (0 ppm), Formula C3H4N5", "110.0716": "Theoretical m/z 110.071822, Mass diff 0 (0 ppm), Formula C5H8N3", "114.06643": "Theoretical m/z 114.066191, Mass diff 0 (2.1 ppm), SMILES N1=CNC(=NC1)OC, Annotation [C4H7N3O+H]+, Rule of HR True", "128.08185": "Theoretical m/z 128.081836, Mass diff 0 (0.11 ppm), SMILES N(C=NCC)=C(OC)N, Annotation [C5H11N3O-H]+, Rule of HR True", "138.07761": "Theoretical m/z 138.077427, Mass diff 0 (1.33 ppm), SMILES N1=CNC(=NC1=NCC)N, Annotation [C5H9N5-H]+, Rule of HR True", "142.07253": "Theoretical m/z 142.07234, Mass diff 0 (1.34 ppm), SMILES N=C1N=C(OC)NC(=N1)N, Annotation [C4H7N5O+H]+, Rule of HR True", "168.0881": "Theoretical m/z 168.087986, Mass diff 0 (0.68 ppm), SMILES N=1C(N=C(N)NC1OC)=NCC, Annotation [C6H11N5O-H]+, Rule of HR True", "170.10394": "Theoretical m/z 170.103636, Mass diff 0 (1.79 ppm), SMILES N=1C(N=C(N)NC1OC)=NCC, Annotation [C6H11N5O+H]+, Rule of HR True", "184.11964": "Theoretical m/z 184.119291, Mass diff 0 (1.89 ppm), SMILES N=C1N=C(OC)NC(=N1)NC(C)C, Annotation [C7H13N5O+H]+, Rule of HR True"}, "num_peaks": "16", "compound_name": "Terbumeton_1", "retention_time": 3.185351, "precursor_mz": 226.1667, "collision_energy": "", "peaks_json": [[85.05116, 254026.0], [85.07622, 1248785.0], [86.03511, 7693232.0], [96.05572, 2045746.0], [97.03974, 2776563.0], [99.06665, 1175450.0], [100.05066, 9824308.0], [110.04619, 496522.0], [110.0716, 223643.0], [114.06643, 4195590.0], [128.08185, 3094754.0], [138.07761, 783556.0], [142.07253, 19868644.0], [168.0881, 278497.0], [170.10394, 12296676.0], [184.11964, 1858746.0]]}, {"scannumber": "2376", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H19N5O", "inchikey": "BCQMBFHBDZVHKU-UHFFFAOYSA-N", "inchi": "", "smiles": "CCN=c1nc([nH]c(n1)OC)NC(C)(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.05116": "Theoretical m/z 85.051421, Mass diff 0 (0 ppm), Formula C2H5N4", "85.07622": "Theoretical m/z 85.076025, Mass diff 0 (2.29 ppm), SMILES N(=C)C=NCC, Annotation [C4H8N2+H]+, Rule of HR True", "86.03511": "Theoretical m/z 86.035437, Mass diff 0 (0 ppm), Formula C2H4N3O", "96.05572": "Theoretical m/z 96.05562, Mass diff 0 (1.05 ppm), SMILES N(C=NCC)=CN, Annotation [C4H9N3-3H]+, Rule of HR True", "97.03974": "Theoretical m/z 97.039636, Mass diff 0 (1.07 ppm), SMILES N(C=NC)=COC, Annotation [C4H8N2O-3H]+, Rule of HR True", "99.06665": "Theoretical m/z 99.067071, Mass diff 0 (0 ppm), Formula C3H7N4", "100.05066": "Theoretical m/z 100.050541, Mass diff 0 (1.19 ppm), SMILES N=CN=C(OC)N, Annotation [C3H7N3O-H]+, Rule of HR True", "110.04619": "Theoretical m/z 110.04667, Mass diff 0 (0 ppm), Formula C3H4N5", "110.0716": "Theoretical m/z 110.071822, Mass diff 0 (0 ppm), Formula C5H8N3", "113.0825": "Theoretical m/z 113.082172, Mass diff 0 (2.9 ppm), SMILES N(C=NCC)=C(N)N, Annotation [C4H10N4-H]+, Rule of HR True", "114.06643": "Theoretical m/z 114.066191, Mass diff 0 (2.1 ppm), SMILES N1=CNC(=NC1)OC, Annotation [C4H7N3O+H]+, Rule of HR True", "125.0461": "Theoretical m/z 125.045787, Mass diff 0 (2.5 ppm), SMILES N=C1N=CNC(=N1)OC, Annotation [C4H6N4O-H]+, Rule of HR True", "127.09787": "Theoretical m/z 127.098371, Mass diff 0 (0 ppm), Formula C5H11N4", "128.08185": "Theoretical m/z 128.081836, Mass diff 0 (0.11 ppm), SMILES N(C=NCC)=C(OC)N, Annotation [C5H11N3O-H]+, Rule of HR True", "138.07761": "Theoretical m/z 138.077427, Mass diff 0 (1.33 ppm), SMILES N1=CNC(=NC1=NCC)N, Annotation [C5H9N5-H]+, Rule of HR True", "142.07253": "Theoretical m/z 142.07234, Mass diff 0 (1.34 ppm), SMILES N=C1N=C(OC)NC(=N1)N, Annotation [C4H7N5O+H]+, Rule of HR True", "153.07755": "Theoretical m/z 153.077091, Mass diff 0 (3 ppm), SMILES N1=CNC(=NC1=NCC)OC, Annotation [C6H10N4O-H]+, Rule of HR True", "168.0881": "Theoretical m/z 168.087986, Mass diff 0 (0.68 ppm), SMILES N=1C(N=C(N)NC1OC)=NCC, Annotation [C6H11N5O-H]+, Rule of HR True", "170.10394": "Theoretical m/z 170.103636, Mass diff 0 (1.79 ppm), SMILES N=1C(N=C(N)NC1OC)=NCC, Annotation [C6H11N5O+H]+, Rule of HR True", "184.11964": "Theoretical m/z 184.119291, Mass diff 0 (1.89 ppm), SMILES N=C1N=C(OC)NC(=N1)NC(C)C, Annotation [C7H13N5O+H]+, Rule of HR True", "226.16615": "Theoretical m/z 226.166243, Mass diff 0 (0.41 ppm), SMILES N=1C(N=C(NC1OC)NC(C)(C)C)=NCC, Annotation [C10H19N5O+H]+, Rule of HR True"}, "num_peaks": "22", "compound_name": "Terbumeton_2", "retention_time": 3.288845, "precursor_mz": 226.1663, "collision_energy": "", "peaks_json": [[85.05116, 203704.0], [85.07622, 1795800.0], [86.03511, 4360152.0], [96.05572, 3992152.0], [97.03974, 3296917.0], [99.06665, 489124.0], [100.05066, 11922340.0], [110.04619, 311190.0], [110.0716, 143123.0], [113.0825, 152844.0], [114.06643, 5615716.0], [125.0461, 170765.0], [127.09787, 169642.0], [128.08185, 4145137.0], [129.0112, 167032.0], [138.07761, 953215.0], [142.07253, 8482599.0], [153.07755, 208846.0], [168.0881, 343548.0], [170.10394, 12923365.0], [184.11964, 137608.0], [226.16615, 243943.0]]}, {"scannumber": "4753", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H16N3O2Cl", "inchikey": "WURBVZBTWMNKQT-ZDUSSCGKSA-N", "inchi": "", "smiles": "O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05441": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "93.03366": "Theoretical m/z 93.033489, Mass diff 0 (1.84 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O-H]+, Rule of HR True", "94.04145": "Theoretical m/z 94.041314, Mass diff 0 (1.45 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O]+, Rule of HR False", "95.04928": "Theoretical m/z 95.049139, Mass diff 0 (1.48 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "98.99973": "Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl", "103.03109": "Theoretical m/z 103.031453, Mass diff 0 (0 ppm), Formula C5H8Cl", "105.04505": "Theoretical m/z 105.045273, Mass diff 0 (0 ppm), Formula C6H5N2", "107.04936": "Theoretical m/z 107.04969, Mass diff 0 (0 ppm), Formula C7H7O", "109.0651": "Theoretical m/z 109.06534, Mass diff 0 (0 ppm), Formula C7H9O", "110.03504": "Theoretical m/z 110.034885, Mass diff 0 (1.41 ppm), SMILES O=CCN1N=CN=C1, Annotation [C4H5N3O-H]+, Rule of HR True", "110.99978": "Theoretical m/z 110.999607, Mass diff 0 (1.56 ppm), SMILES ClC=1C=CC=CC1, Annotation [C6H5Cl-H]+, Rule of HR True", "111.04436": "Theoretical m/z 111.044604, Mass diff 0 (0 ppm), Formula C6H7O2", "113.0154": "Theoretical m/z 113.015257, Mass diff 0 (1.27 ppm), SMILES ClC=1C=CC=CC1, Annotation [C6H5Cl+H]+, Rule of HR True", "119.04944": "Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O", "119.06059": "Theoretical m/z 119.060923, Mass diff 0 (0 ppm), Formula C7H7N2", "120.05734": "Theoretical m/z 120.057515, Mass diff 0 (0 ppm), Formula C8H8O", "121.03985": "Theoretical m/z 121.040188, Mass diff 0 (0 ppm), Formula C6H5N2O", "125.01533": "Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl", "126.99488": "Theoretical m/z 126.994526, Mass diff 0 (2.79 ppm), SMILES ClC1=CC=C(O)C=C1, Annotation [C6H5ClO-H]+, Rule of HR True", "127.03099": "Theoretical m/z 127.031453, Mass diff 0 (0 ppm), Formula C7H8Cl", "129.01041": "Theoretical m/z 129.010176, Mass diff 0 (1.82 ppm), SMILES ClC1=CC=C(O)C=C1, Annotation [C6H5ClO+H]+, Rule of HR True", "133.10155": "Theoretical m/z 133.101725, Mass diff 0 (0 ppm), Formula C10H13", "137.01562": "Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl", "139.00583": "Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2", "141.0105": "Theoretical m/z 141.010166, Mass diff 0 (2.37 ppm), SMILES ClC1=CC=C(OC)C=C1, Annotation [C7H7ClO-H]+, Rule of HR True", "146.07265": "Theoretical m/z 146.073165, Mass diff 0 (0 ppm), Formula C10H10O", "147.08089": "Theoretical m/z 147.08099, Mass diff 0 (0 ppm), Formula C10H11O", "155.02592": "Theoretical m/z 155.026368, Mass diff 0 (0 ppm), Formula C8H8ClO", "159.02092": "Theoretical m/z 159.021282, Mass diff 0 (0 ppm), Formula C7H8ClO2", "161.09631": "Theoretical m/z 161.09664, Mass diff 0 (0 ppm), Formula C11H13O", "175.07544": "Theoretical m/z 175.075905, Mass diff 0 (0 ppm), Formula C11H11O2", "190.09877": "Theoretical m/z 190.098837, Mass diff 0 (0.35 ppm), SMILES O=C(COC=1C=CC=CC1)C(C)(C)C, Annotation [C12H16O2-2H]+, Rule of HR False", "197.073": "Theoretical m/z 197.073318, Mass diff 0 (0 ppm), Formula C11H14ClO"}, "num_peaks": "34", "compound_name": "Triadimefon", "retention_time": 6.495691, "precursor_mz": 294.101, "collision_energy": "", "peaks_json": [[91.05441, 220380.0], [93.03366, 110759.0], [94.04145, 226678.0], [95.04928, 293143.0], [98.99973, 2161492.0], [103.03109, 47635.0], [105.04505, 158971.0], [107.04936, 77343.0], [109.0651, 56624.0], [110.03504, 91263.0], [110.99978, 78358.0], [111.04436, 239293.0], [113.0154, 1133437.0], [119.04944, 129126.0], [119.06059, 60561.0], [120.05734, 170448.0], [121.03985, 123630.0], [125.01533, 88037.0], [126.99488, 4331208.0], [127.03099, 234800.0], [129.01041, 2984985.0], [133.10155, 53571.0], [137.01562, 52817.0], [139.00583, 1903109.0], [141.0105, 4051184.0], [146.07265, 75724.0], [147.08089, 154110.0], [155.02592, 1609516.0], [159.02092, 270169.0], [161.09631, 105167.0], [173.50877, 58953.0], [175.07544, 124355.0], [190.09877, 46793.0], [197.073, 124633.0]]}, {"scannumber": "8085", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C20H19N2O4F3", "inchikey": "ONCZDRURRATYFI-UHFFFAOYSA-N", "inchi": "", "smiles": "CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03905": "Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5", "91.05465": "Theoretical m/z 91.054226, Mass diff 0 (4.66 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "105.07049": "Theoretical m/z 105.070425, Mass diff -0.001 (0 ppm), Formula C8H9", "116.05004": "Theoretical m/z 116.049478, Mass diff 0.001 (4.84 ppm), SMILES N=C(C=1C=CC=CC1)C, Annotation [C8H9N-3H]+, Rule of HR True", "117.05774": "Theoretical m/z 117.057303, Mass diff 0 (3.73 ppm), SMILES N=C(C=1C=CC=CC1)C, Annotation [C8H9N-2H]+, Rule of HR False", "118.06553": "Theoretical m/z 118.065128, Mass diff 0 (3.41 ppm), SMILES N=C(C=1C=CC=CC1)C, Annotation [C8H9N-H]+, Rule of HR True", "119.04944": "Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O", "130.06567": "Theoretical m/z 130.065674, Mass diff -0.001 (0 ppm), Formula C9H8N", "131.07352": "Theoretical m/z 131.073499, Mass diff -0.001 (0 ppm), Formula C9H9N", "132.04504": "Theoretical m/z 132.044397, Mass diff 0.001 (4.87 ppm), SMILES N(OC)=CC=1C=CC=CC1, Annotation [C8H9NO-3H]+, Rule of HR True", "132.08128": "Theoretical m/z 132.081324, Mass diff -0.001 (0 ppm), Formula C9H10N", "134.06033": "Theoretical m/z 134.060047, Mass diff 0 (2.11 ppm), SMILES N(OC)=CC=1C=CC=CC1, Annotation [C8H9NO-H]+, Rule of HR True", "145.02644": "Theoretical m/z 145.025959, Mass diff 0 (3.32 ppm), SMILES FC(F)(F)C=1C=CC=CC1, Annotation [C7H5F3-H]+, Rule of HR True", "146.06033": "Theoretical m/z 146.060037, Mass diff 0 (2.01 ppm), SMILES N(OC)=CC=1C=CC=CC1C, Annotation [C9H11NO-3H]+, Rule of HR True", "147.06844": "Theoretical m/z 147.067862, Mass diff 0.001 (3.93 ppm), SMILES N(OC)=CC=1C=CC=CC1C, Annotation [C9H11NO-2H]+, Rule of HR False", "163.03706": "Theoretical m/z 163.037074, Mass diff -0.001 (0 ppm), Formula C7H6F3O", "173.03255": "Theoretical m/z 173.032658, Mass diff 0 (0 ppm), Formula C7H4F3N2", "186.05302": "Theoretical m/z 186.052509, Mass diff 0.001 (2.75 ppm), SMILES FC(F)(F)C=1C=CC=C(C1)C(=N)C, Annotation [C9H8F3N-H]+, Rule of HR True", "206.08214": "Theoretical m/z 206.081165, Mass diff 0.001 (4.73 ppm), SMILES O=C(OC)C(=NOC)C=1C=CC=CC1C, Annotation [C11H13NO3-H]+, Rule of HR True"}, "num_peaks": "20", "compound_name": "Trifloxystrobin", "retention_time": 7.117416, "precursor_mz": 409.1378, "collision_energy": "", "peaks_json": [[89.03905, 311273.0], [91.05465, 552137.0], [105.07049, 281496.0], [116.05004, 3644672.0], [117.05774, 1059431.0], [118.06553, 996646.0], [119.04944, 261371.0], [130.06567, 752094.0], [131.07352, 3968814.0], [132.04504, 549533.0], [132.08128, 1313192.0], [134.06033, 476020.0], [145.02644, 9201794.0], [146.06033, 1786913.0], [147.06844, 435652.0], [161.0475, 625467.0], [163.03706, 449951.0], [173.03255, 3885334.0], [186.05302, 16153518.0], [206.08214, 362046.0]]}, {"scannumber": "7511", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H16Cl3NO2", "inchikey": "SOUGWDPPRBKJEX-AWEZNQCLSA-N", "inchi": "", "smiles": "CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"122.99966": "Theoretical m/z 122.999605, Mass diff 0 (0.45 ppm), SMILES ClC=1C=CC=CC1C, Annotation [C7H7Cl-3H]+, Rule of HR True", "158.97681": "Theoretical m/z 158.976276, Mass diff 0.001 (3.36 ppm), SMILES ClC1=CC=CC(Cl)=C1C, Annotation [C7H6Cl2-H]+, Rule of HR True", "160.99211": "Theoretical m/z 160.991926, Mass diff 0 (1.14 ppm), SMILES ClC1=CC=CC(Cl)=C1C, Annotation [C7H6Cl2+H]+, Rule of HR True", "176.98717": "Theoretical m/z 176.986845, Mass diff 0 (1.84 ppm), SMILES ClC=1C=C(Cl)C=C(C1)CO, Annotation [C7H6Cl2O+H]+, Rule of HR True", "186.97179": "Theoretical m/z 186.971745, Mass diff -0.001 (0 ppm), Formula C8H5Cl2O", "203.99802": "Theoretical m/z 203.99774, Mass diff 0 (1.37 ppm), SMILES ClC=1C=C(C=C(Cl)C1C)C(=N)O, Annotation [C8H7Cl2NO+H]+, Rule of HR True"}, "num_peaks": "7", "compound_name": "Zoxamide", "retention_time": 7.042906, "precursor_mz": 336.0327, "collision_energy": "", "peaks_json": [[122.99966, 189624.0], [158.97681, 2350836.0], [160.99211, 84080.0], [176.98717, 132424.0], [186.97179, 7551578.0], [186.98138, 1310863.0], [203.99802, 105210.0]]}, {"scannumber": "10658", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H8NOCl2F", "inchikey": "WRPIRSINYZBGPK-UHFFFAOYSA-N", "inchi": "", "smiles": "Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"113.04024": "Theoretical m/z 113.039717, Mass diff 0.001 (4.63 ppm), SMILES FC1=CC=C(O)C=C1, Annotation [C6H5FO+H]+, Rule of HR True", "123.00003": "Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl", "133.05254": "Theoretical m/z 133.052764, Mass diff 0 (0 ppm), Formula C8H7NO", "150.01109": "Theoretical m/z 150.011052, Mass diff -0.001 (0 ppm), Formula C8H5ClN", "162.01112": "Theoretical m/z 162.010502, Mass diff 0.001 (3.82 ppm), SMILES ClC1=CC=C2C=CC=NC2=C1, Annotation [C9H6ClN-H]+, Rule of HR True", "168.02145": "Theoretical m/z 168.021617, Mass diff 0 (0 ppm), Formula C8H7ClNO", "183.97221": "Theoretical m/z 183.972079, Mass diff -0.001 (0 ppm), Formula C8H4Cl2N", "184.97952": "Theoretical m/z 184.979417, Mass diff -0.001 (0 ppm), Formula C11H2ClO", "196.98022": "Theoretical m/z 196.979356, Mass diff 0.001 (4.39 ppm), SMILES ClC1=CC(Cl)=C2C=CC=NC2=C1, Annotation [C9H5Cl2N]+, Rule of HR False", "210.0717": "Theoretical m/z 210.071903, Mass diff 0 (0 ppm), Formula C14H9FN", "213.98238": "Theoretical m/z 213.982099, Mass diff 0 (1.31 ppm), SMILES ClC=1C=C(Cl)C2=C(O)C=CN=C2C1, Annotation [C9H5Cl2NO+H]+, Rule of HR True", "217.02182": "Theoretical m/z 217.022031, Mass diff 0 (0 ppm), Formula C13H7ClF", "219.02536": "Theoretical m/z 219.024618, Mass diff -0.001 (0 ppm), Formula C15H4FO", "238.06659": "Theoretical m/z 238.066272, Mass diff 0 (1.33 ppm), SMILES FC1=CC=C(OC=2C=CN=C3C=CC=CC32)C=C1, Annotation [C15H10FNO-H]+, Rule of HR True", "244.03317": "Theoretical m/z 244.03293, Mass diff -0.001 (0 ppm), Formula C14H8ClFN", "254.03786": "Theoretical m/z 254.036716, Mass diff 0.001 (4.5 ppm), SMILES ClC=1C=CC=2C(=NC=CC2OC=3C=CC=CC3)C1, Annotation [C15H10ClNO-H]+, Rule of HR True", "272.02798": "Theoretical m/z 272.027301, Mass diff 0.001 (2.49 ppm), SMILES FC1=CC=C(OC=2C=CN=C3C=C(Cl)C=CC32)C=C1, Annotation [C15H9ClFNO-H]+, Rule of HR True", "280.00934": "Theoretical m/z 280.009608, Mass diff 0 (0 ppm), Formula C14H9Cl2FN", "287.99789": "Theoretical m/z 287.99776, Mass diff 0 (0.45 ppm), SMILES ClC=1C=C(Cl)C=2C(=NC=CC2OC=3C=CC=CC3)C1, Annotation [C15H9Cl2NO-H]+, Rule of HR True", "308.00415": "Theoretical m/z 308.003981, Mass diff 0 (0.55 ppm), SMILES FC1=CC=C(OC=2C=CN=C3C=C(Cl)C=C(Cl)C32)C=C1, Annotation [C15H8Cl2FNO+H]+, Rule of HR True"}, "num_peaks": "28", "compound_name": "Quinoxyfen", "retention_time": 7.693292, "precursor_mz": 308.0046, "collision_energy": "", "peaks_json": [[113.04024, 951160.0], [123.00003, 519051.0], [123.03591, 2234640.0], [133.05254, 505534.0], [150.01109, 1173838.0], [162.01112, 4388227.0], [168.02145, 1536952.0], [178.01723, 957090.0], [183.97221, 586345.0], [184.97952, 1042789.0], [196.98022, 34758736.0], [209.06372, 991608.0], [210.0717, 743797.0], [212.97452, 543051.0], [213.98238, 16892596.0], [217.02182, 350576.0], [219.02536, 368183.0], [225.03487, 908834.0], [237.05934, 2476225.0], [238.06659, 390133.0], [244.03317, 3467599.0], [245.04095, 5069296.0], [253.02917, 653474.0], [254.03786, 417640.0], [272.02798, 14312807.0], [280.00934, 1380984.0], [287.99789, 1053238.0], [308.00415, 16622164.0]]}, {"scannumber": "10564", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C23H22O6", "inchikey": "JUVIOZPCNVVQFO-NDXORKPFSA-N", "inchi": "", "smiles": "COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05441": "Theoretical m/z 91.054226, Mass diff 0 (2.03 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "94.04169": "Theoretical m/z 94.041314, Mass diff 0 (4 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O]+, Rule of HR False", "95.04953": "Theoretical m/z 95.049139, Mass diff 0 (4.11 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O+H]+, Rule of HR True", "96.05724": "Theoretical m/z 96.057515, Mass diff 0 (0 ppm), Formula C6H8O", "103.05439": "Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7", "105.0702": "Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9", "107.04936": "Theoretical m/z 107.049144, Mass diff 0 (2.01 ppm), SMILES O(C=1C=CC=CC1)C, Annotation [C7H8O-H]+, Rule of HR True", "108.05726": "Theoretical m/z 108.056969, Mass diff 0 (2.69 ppm), SMILES O(C=1C=CC=CC1)C, Annotation [C7H8O]+, Rule of HR False", "109.0651": "Theoretical m/z 109.064794, Mass diff 0 (2.8 ppm), SMILES O(C=1C=CC=CC1)C, Annotation [C7H8O+H]+, Rule of HR True", "115.05464": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "118.04178": "Theoretical m/z 118.041319, Mass diff 0 (3.9 ppm), SMILES O1C=2C=CC=CC2CC1, Annotation [C8H8O-2H]+, Rule of HR False", "119.04944": "Theoretical m/z 119.049144, Mass diff 0 (2.48 ppm), SMILES O1C=2C=CC=CC2CC1, Annotation [C8H8O-H]+, Rule of HR True", "119.0857": "Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11", "121.06523": "Theoretical m/z 121.064794, Mass diff 0 (3.6 ppm), SMILES O1C=2C=CC=CC2CC1, Annotation [C8H8O+H]+, Rule of HR True", "122.03665": "Theoretical m/z 122.036231, Mass diff 0 (3.44 ppm), SMILES OC1=CC=CC(OC)=C1, Annotation [C7H8O2-2H]+, Rule of HR False", "123.04434": "Theoretical m/z 123.044056, Mass diff 0 (2.31 ppm), SMILES OC1=CC=CC(OC)=C1, Annotation [C7H8O2-H]+, Rule of HR True", "124.05232": "Theoretical m/z 124.051881, Mass diff 0 (3.54 ppm), SMILES OC1=CC=CC(OC)=C1, Annotation [C7H8O2]+, Rule of HR False", "125.05998": "Theoretical m/z 125.059706, Mass diff 0 (2.19 ppm), SMILES OC1=CC=CC(OC)=C1, Annotation [C7H8O2+H]+, Rule of HR True", "128.06239": "Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8", "129.07021": "Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9", "131.04935": "Theoretical m/z 131.04969, Mass diff 0 (0 ppm), Formula C9H7O", "132.05725": "Theoretical m/z 132.057515, Mass diff 0 (0 ppm), Formula C9H8O", "133.02864": "Theoretical m/z 133.028411, Mass diff 0 (1.72 ppm), SMILES O(C1=CC=CC(OC)=C1)C, Annotation [C8H10O2-5H]+, Rule of HR True", "133.06488": "Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O", "135.04427": "Theoretical m/z 135.044061, Mass diff 0 (1.55 ppm), SMILES O(C1=CC=CC(OC)=C1)C, Annotation [C8H10O2-3H]+, Rule of HR True", "135.08092": "Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O", "136.05228": "Theoretical m/z 136.051886, Mass diff 0 (2.9 ppm), SMILES O(C1=CC=CC(OC)=C1)C, Annotation [C8H10O2-2H]+, Rule of HR False", "137.05997": "Theoretical m/z 137.059711, Mass diff 0 (1.89 ppm), SMILES O(C1=CC=CC(OC)=C1)C, Annotation [C8H10O2-H]+, Rule of HR True", "139.07579": "Theoretical m/z 139.075361, Mass diff 0 (3.08 ppm), SMILES O(C1=CC=CC(OC)=C1)C, Annotation [C8H10O2+H]+, Rule of HR True", "141.07028": "Theoretical m/z 141.069869, Mass diff 0 (2.91 ppm), SMILES C=C(C)CCC=1C=CC=CC1, Annotation [C11H14-5H]+, Rule of HR True", "143.08594": "Theoretical m/z 143.085519, Mass diff 0 (2.94 ppm), SMILES C=C(C)CCC=1C=CC=CC1, Annotation [C11H14-3H]+, Rule of HR True", "145.0649": "Theoretical m/z 145.064792, Mass diff 0 (0.74 ppm), SMILES O1C=2C=CC=CC2CC1C=C, Annotation [C10H10O-H]+, Rule of HR True", "147.04451": "Theoretical m/z 147.044056, Mass diff 0 (3.09 ppm), SMILES O=CC1=CC=C2OCCC2=C1, Annotation [C9H8O2-H]+, Rule of HR True", "147.08089": "Theoretical m/z 147.080442, Mass diff 0 (3.04 ppm), SMILES O1C=2C=CC=CC2CC1C=C, Annotation [C10H10O+H]+, Rule of HR True", "148.0522": "Theoretical m/z 148.051881, Mass diff 0 (2.16 ppm), SMILES O=CC1=CC=C2OCCC2=C1, Annotation [C9H8O2]+, Rule of HR False", "149.02341": "Theoretical m/z 149.023315, Mass diff 0 (0.64 ppm), SMILES OC1=CC=C(OC)C=C1OC, Annotation [C8H10O3-5H]+, Rule of HR True", "149.06003": "Theoretical m/z 149.059706, Mass diff 0 (2.18 ppm), SMILES O=CC1=CC=C2OCCC2=C1, Annotation [C9H8O2+H]+, Rule of HR True", "150.06783": "Theoretical m/z 150.06808, Mass diff 0 (0 ppm), Formula C9H10O2", "151.03905": "Theoretical m/z 151.038965, Mass diff 0 (0.57 ppm), SMILES OC1=CC=C(OC)C(OC)=C1, Annotation [C8H10O3-3H]+, Rule of HR True", "151.07541": "Theoretical m/z 151.075905, Mass diff 0 (0 ppm), Formula C9H11O2", "152.04688": "Theoretical m/z 152.04679, Mass diff 0 (0.59 ppm), SMILES OC1=CC=C(OC)C(OC)=C1, Annotation [C8H10O3-2H]+, Rule of HR False", "153.05467": "Theoretical m/z 153.054615, Mass diff 0 (0.36 ppm), SMILES OC1=CC=C(OC)C(OC)=C1, Annotation [C8H10O3-H]+, Rule of HR True", "155.0705": "Theoretical m/z 155.070265, Mass diff 0 (1.52 ppm), SMILES OC1=CC=C(OC)C(OC)=C1, Annotation [C8H10O3+H]+, Rule of HR True", "155.08604": "Theoretical m/z 155.086075, Mass diff -0.001 (0 ppm), Formula C12H11", "157.06509": "Theoretical m/z 157.064798, Mass diff 0 (1.86 ppm), SMILES O1C=2C=CC=CC2CC1C(=C)C, Annotation [C11H12O-3H]+, Rule of HR True", "157.10156": "Theoretical m/z 157.101725, Mass diff 0 (0 ppm), Formula C12H13", "159.0446": "Theoretical m/z 159.044061, Mass diff 0.001 (3.39 ppm), SMILES OC1=CC=CC=2OC(C=C)CC12, Annotation [C10H10O2-3H]+, Rule of HR True", "160.05222": "Theoretical m/z 160.051886, Mass diff 0 (2.09 ppm), SMILES OC1=CC=CC=2OC(C=C)CC12, Annotation [C10H10O2-2H]+, Rule of HR False", "161.02338": "Theoretical m/z 161.023324, Mass diff 0 (0.35 ppm), SMILES O=CC1=CC=C2OCCC2=C1O, Annotation [C9H8O3-3H]+, Rule of HR True", "161.0601": "Theoretical m/z 161.059711, Mass diff 0 (2.41 ppm), SMILES OC1=CC=CC=2OC(C=C)CC12, Annotation [C10H10O2-H]+, Rule of HR True", "161.09631": "Theoretical m/z 161.096098, Mass diff 0 (1.32 ppm), SMILES O1C=2C=CC=CC2CC1C(=C)C, Annotation [C11H12O+H]+, Rule of HR True", "162.0676": "Theoretical m/z 162.067536, Mass diff 0 (0.39 ppm), SMILES OC1=CC=CC=2OC(C=C)CC12, Annotation [C10H10O2]+, Rule of HR False", "163.03929": "Theoretical m/z 163.038974, Mass diff 0 (1.94 ppm), SMILES O=CC1=CC=C2OCCC2=C1O, Annotation [C9H8O3-H]+, Rule of HR True", "163.07561": "Theoretical m/z 163.075361, Mass diff 0 (1.53 ppm), SMILES OC1=CC=CC=2OC(C=C)CC12, Annotation [C10H10O2+H]+, Rule of HR True", "164.04738": "Theoretical m/z 164.046795, Mass diff 0.001 (3.57 ppm), SMILES O(C1=CC=C(OC)C(OC)=C1)C, Annotation [C9H12O3-4H]+, Rule of HR False", "165.05518": "Theoretical m/z 165.05462, Mass diff 0.001 (3.39 ppm), SMILES O(C1=CC=C(OC)C(OC)=C1)C, Annotation [C9H12O3-3H]+, Rule of HR True", "165.09103": "Theoretical m/z 165.091001, Mass diff 0 (0.17 ppm), SMILES O(C1=CC=C2C(OCCC2)=C1)C, Annotation [C10H12O2+H]+, Rule of HR True", "167.03391": "Theoretical m/z 167.034434, Mass diff 0 (0 ppm), Formula C8H7O4", "167.07042": "Theoretical m/z 167.07027, Mass diff 0 (0.9 ppm), SMILES O(C1=CC=C(OC)C(OC)=C1)C, Annotation [C9H12O3-H]+, Rule of HR True", "169.06497": "Theoretical m/z 169.064788, Mass diff 0 (1.08 ppm), SMILES O=CC1=CC=CC(=C1)CCC(=C)C, Annotation [C12H14O-5H]+, Rule of HR True", "171.0444": "Theoretical m/z 171.044061, Mass diff 0 (1.98 ppm), SMILES O=CC1=CC=C2OC(C=C)CC2=C1, Annotation [C11H10O2-3H]+, Rule of HR True", "171.08104": "Theoretical m/z 171.080438, Mass diff 0.001 (3.52 ppm), SMILES O=CC1=CC=CC(=C1)CCC(=C)C, Annotation [C12H14O-3H]+, Rule of HR True", "173.06004": "Theoretical m/z 173.059701, Mass diff 0 (1.96 ppm), SMILES OC1=CC=CC=2OC(C(=C)C)CC12, Annotation [C11H12O2-3H]+, Rule of HR True", "174.06767": "Theoretical m/z 174.067526, Mass diff 0 (0.83 ppm), SMILES OC1=CC=CC=2OC(C(=C)C)CC12, Annotation [C11H12O2-2H]+, Rule of HR False", "175.03938": "Theoretical m/z 175.038975, Mass diff 0 (2.31 ppm), SMILES OC=1C=C(OC)C(OC)=CC1CC, Annotation [C10H14O3-7H]+, Rule of HR True", "175.07544": "Theoretical m/z 175.075351, Mass diff 0 (0.51 ppm), SMILES OC1=CC=CC=2OC(C(=C)C)CC12, Annotation [C11H12O2-H]+, Rule of HR True", "176.04684": "Theoretical m/z 176.046801, Mass diff 0 (0.22 ppm), SMILES OC=1C=C(OC)C(OC)=CC1CC, Annotation [C10H14O3-6H]+, Rule of HR False", "177.05479": "Theoretical m/z 177.054626, Mass diff 0 (0.93 ppm), SMILES OC=1C=C(OC)C(OC)=CC1CC, Annotation [C10H14O3-5H]+, Rule of HR True", "178.0625": "Theoretical m/z 178.062451, Mass diff 0 (0.28 ppm), SMILES OC=1C=C(OC)C(OC)=CC1CC, Annotation [C10H14O3-4H]+, Rule of HR False", "179.07047": "Theoretical m/z 179.070276, Mass diff 0 (1.09 ppm), SMILES OC=1C=C(OC)C(OC)=CC1CC, Annotation [C10H14O3-3H]+, Rule of HR True", "181.04948": "Theoretical m/z 181.050084, Mass diff 0 (0 ppm), Formula C9H9O4", "183.08076": "Theoretical m/z 183.08099, Mass diff 0 (0 ppm), Formula C13H11O", "185.05991": "Theoretical m/z 185.059701, Mass diff 0 (1.13 ppm), SMILES O=CC1=CC=C2OC(C(=C)C)CC2=C1, Annotation [C12H12O2-3H]+, Rule of HR True", "185.09641": "Theoretical m/z 185.09664, Mass diff 0 (0 ppm), Formula C13H13O", "187.03905": "Theoretical m/z 187.038965, Mass diff 0 (0.46 ppm), SMILES O=C1C2=CC=C3OCCC3=C2OCC1, Annotation [C11H10O3-3H]+, Rule of HR True", "189.05499": "Theoretical m/z 189.054615, Mass diff 0 (1.99 ppm), SMILES O=C1C2=CC=C3OCCC3=C2OCC1, Annotation [C11H10O3-H]+, Rule of HR True", "189.09126": "Theoretical m/z 189.091001, Mass diff 0 (1.37 ppm), SMILES O=CC1=CC=C2OC(C(=C)C)CC2=C1, Annotation [C12H12O2+H]+, Rule of HR True", "191.07039": "Theoretical m/z 191.070276, Mass diff 0 (0.6 ppm), SMILES O(C=1C=C2OCCCC2=CC1OC)C, Annotation [C11H14O3-3H]+, Rule of HR True", "193.04977": "Theoretical m/z 193.049539, Mass diff 0 (1.2 ppm), SMILES OC=1C=C2C(OCC(O)C2)=CC1OC, Annotation [C10H12O4-3H]+, Rule of HR True", "193.0865": "Theoretical m/z 193.085926, Mass diff 0.001 (2.97 ppm), SMILES O(C=1C=C2OCCCC2=CC1OC)C, Annotation [C11H14O3-H]+, Rule of HR True", "195.08057": "Theoretical m/z 195.08099, Mass diff 0 (0 ppm), Formula C14H11O", "197.05963": "Theoretical m/z 197.059712, Mass diff 0 (0.42 ppm), SMILES O(C1=CC=CC=2OC(C(=C)C)CC12)CC, Annotation [C13H16O2-7H]+, Rule of HR True", "198.06796": "Theoretical m/z 198.067537, Mass diff 0 (2.13 ppm), SMILES O(C1=CC=CC=2OC(C(=C)C)CC12)CC, Annotation [C13H16O2-6H]+, Rule of HR False", "199.07576": "Theoretical m/z 199.075362, Mass diff 0 (2 ppm), SMILES O(C1=CC=CC=2OC(C(=C)C)CC12)CC, Annotation [C13H16O2-5H]+, Rule of HR True", "201.09085": "Theoretical m/z 201.091012, Mass diff 0 (0.81 ppm), SMILES O(C1=CC=CC=2OC(C(=C)C)CC12)CC, Annotation [C13H16O2-3H]+, Rule of HR True", "203.07065": "Theoretical m/z 203.07027, Mass diff 0 (1.87 ppm), SMILES O=CC1=CC=C2OC(C(=C)C)CC2=C1O, Annotation [C12H12O3-H]+, Rule of HR True", "205.0499": "Theoretical m/z 205.049529, Mass diff 0 (1.81 ppm), SMILES O=CC(C=1C=C(OC)C(OC)=CC1O)C, Annotation [C11H14O4-5H]+, Rule of HR True", "211.07547": "Theoretical m/z 211.075352, Mass diff 0 (0.56 ppm), SMILES O1C2=CC=CC(OC(C)C)=C2CC1C(=C)C, Annotation [C14H18O2-7H]+, Rule of HR True", "213.05545": "Theoretical m/z 213.05462, Mass diff 0.001 (3.9 ppm), SMILES O=C1C2=CC=C3OC(C=C)CC3=C2OCC1, Annotation [C13H12O3-3H]+, Rule of HR True", "213.09134": "Theoretical m/z 213.091003, Mass diff 0 (1.58 ppm), SMILES O1C2=CC=CC(OC(C)C)=C2CC1C(=C)C, Annotation [C14H18O2-5H]+, Rule of HR True", "219.06538": "Theoretical m/z 219.065179, Mass diff 0 (0.92 ppm), SMILES O=CC1C2=CC(OC)=C(OC)C=C2OCC1, Annotation [C12H14O4-3H]+, Rule of HR True", "223.07542": "Theoretical m/z 223.075352, Mass diff 0 (0.3 ppm), SMILES O=C(C1=CC=C2OC(C(=C)C)CC2=C1)CCC, Annotation [C15H18O2-7H]+, Rule of HR True", "226.06303": "Theoretical m/z 226.062451, Mass diff 0.001 (2.56 ppm), SMILES O=C1C2=CC=C3OC(C(=C)C)CC3=C2OCC1, Annotation [C14H14O3-4H]+, Rule of HR False", "229.08595": "Theoretical m/z 229.085926, Mass diff 0 (0.11 ppm), SMILES O=C1C2=CC=C3OC(C(=C)C)CC3=C2OCC1, Annotation [C14H14O3-H]+, Rule of HR True", "241.08595": "Theoretical m/z 241.085916, Mass diff 0 (0.14 ppm), SMILES O=C1C2=CC=C3OC(C(=C)C)CC3=C2OC(C)C1, Annotation [C15H16O3-3H]+, Rule of HR True", "309.07611": "Theoretical m/z 309.075738, Mass diff 0 (1.2 ppm), SMILES O=C1C=2C=CC=CC2OC3COC4=CC(OC)=C(OC)C=C4C13, Annotation [C18H16O5-3H]+, Rule of HR True", "319.09708": "Theoretical m/z 319.097034, Mass diff -0.001 (0 ppm), Formula C20H15O4", "321.11215": "Theoretical m/z 321.112684, Mass diff 0 (0 ppm), Formula C20H17O4", "331.09756": "Theoretical m/z 331.09649, Mass diff 0.001 (3.23 ppm), SMILES O=C1C2=CC=C3OC(C(=C)C)CC3=C2OC4COC=5C=CC=CC5C14, Annotation [C21H18O4-3H]+, Rule of HR True", "333.11328": "Theoretical m/z 333.11214, Mass diff 0.001 (3.42 ppm), SMILES O=C1C2=CC=C3OC(C(=C)C)CC3=C2OC4COC=5C=CC=CC5C14, Annotation [C21H18O4-H]+, Rule of HR True", "335.12769": "Theoretical m/z 335.12779, Mass diff 0 (0.3 ppm), SMILES O=C1C2=CC=C3OC(C(=C)C)CC3=C2OC4COC=5C=CC=CC5C14, Annotation [C21H18O4+H]+, Rule of HR True", "337.1073": "Theoretical m/z 337.107049, Mass diff 0 (0.74 ppm), SMILES O=C1C2=CC=C3OCCC3=C2OC(C)C1C4=CC=C(OC)C(OC)=C4, Annotation [C20H20O5-3H]+, Rule of HR True", "347.091": "Theoretical m/z 347.091394, Mass diff 0 (1.13 ppm), SMILES O=C1C2=CC=C3OC(C=C)CC3=C2OC4COC5=CC(OC)=CC=C5C14, Annotation [C21H18O5-3H]+, Rule of HR True", "349.10764": "Theoretical m/z 349.107044, Mass diff 0.001 (1.71 ppm), SMILES O=C1C2=CC=C3OC(C=C)CC3=C2OC4COC5=CC(OC)=CC=C5C14, Annotation [C21H18O5-H]+, Rule of HR True", "377.13797": "Theoretical m/z 377.13836, Mass diff 0 (1.03 ppm), SMILES O=C1C2=CC=C3OC(C(=C)C)CC3=C2OC(C)C1C4=CC=C(OC)C(OC)=C4, Annotation [C23H24O5-3H]+, Rule of HR True"}, "num_peaks": "118", "compound_name": "Rotenone", "retention_time": 7.674882, "precursor_mz": 395.1498, "collision_energy": "", "peaks_json": [[91.05441, 20240.0], [94.04169, 8976.0], [95.04953, 15733.0], [96.05724, 5644.0], [103.05439, 9409.0], [105.04505, 12948.0], [105.0702, 18947.0], [107.04936, 14407.0], [108.05726, 28276.0], [109.0651, 27746.0], [115.05464, 7748.0], [118.04178, 6690.0], [119.04944, 11358.0], [119.0857, 16350.0], [121.06523, 31422.0], [122.03665, 11422.0], [123.04434, 5563.0], [124.05232, 66924.0], [125.05998, 10770.0], [128.06239, 12472.0], [129.07021, 21798.0], [131.04935, 9618.0], [132.05725, 6374.0], [133.02864, 9569.0], [133.06488, 59218.0], [135.04427, 48791.0], [135.08092, 12734.0], [136.05228, 31669.0], [137.05997, 22461.0], [139.07579, 190263.0], [141.07028, 6275.0], [142.07797, 14608.0], [143.08594, 13615.0], [144.05733, 5067.0], [145.0649, 8486.0], [147.04451, 61525.0], [147.08089, 94625.0], [148.0522, 39063.0], [149.02341, 19610.0], [149.06003, 21143.0], [150.06783, 16274.0], [151.03905, 10391.0], [151.07541, 203001.0], [152.04688, 7942.0], [152.06248, 13044.0], [153.05467, 9160.0], [155.0705, 50109.0], [155.08604, 5247.0], [157.06509, 11481.0], [157.10156, 7250.0], [159.0446, 58047.0], [160.05222, 12860.0], [161.02338, 80194.0], [161.0601, 108267.0], [161.09631, 10911.0], [162.0676, 99660.0], [163.03929, 24087.0], [163.07561, 12092.0], [164.04738, 8000.0], [165.05518, 11042.0], [165.06599, 31937.0], [165.09103, 67666.0], [167.03391, 16070.0], [167.07042, 68033.0], [167.08607, 14650.0], [169.06497, 20549.0], [170.07298, 47466.0], [171.0444, 8000.0], [171.08104, 35499.0], [173.06004, 17137.0], [174.06767, 6932.0], [175.03938, 17059.0], [175.07544, 21766.0], [176.04684, 21189.0], [177.05479, 232262.0], [178.05867, 5911.0], [178.0625, 25475.0], [179.07047, 162479.0], [181.04948, 12121.0], [183.08076, 4979.0], [185.05991, 48654.0], [185.09641, 26209.0], [187.03905, 10827.0], [188.04747, 5292.0], [189.05499, 13091.0], [189.09126, 53174.0], [191.07039, 460509.0], [192.07661, 134602.0], [192.07805, 420800.0], [193.04977, 5384.0], [193.0865, 52606.0], [195.08057, 343831.0], [197.05963, 10859.0], [198.06796, 244073.0], [199.07576, 11375.0], [201.09085, 5454.0], [203.07065, 271508.0], [205.0499, 11121.0], [211.07547, 11767.0], [213.05545, 8031.0], [213.09134, 496635.0], [219.06538, 18652.0], [220.07301, 15899.0], [223.07542, 20667.0], [226.06303, 9493.0], [229.08595, 8069.0], [241.08595, 34858.0], [309.07611, 9652.0], [319.09708, 7916.0], [321.11215, 19786.0], [331.09756, 10399.0], [333.11328, 6140.0], [334.08463, 6723.0], [335.12769, 6532.0], [337.1073, 11225.0], [347.091, 7782.0], [349.10764, 9303.0], [377.13797, 5836.0]]}, {"scannumber": "2214", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H19N5O", "inchikey": "ZJMZZNVGNSWOOM-ZETCQYMHSA-N", "inchi": "", "smiles": "CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.05116": "Theoretical m/z 85.051421, Mass diff 0 (0 ppm), Formula C2H5N4", "85.07622": "Theoretical m/z 85.076025, Mass diff 0 (2.29 ppm), SMILES N(=C)C=NCC, Annotation [C4H8N2+H]+, Rule of HR True", "86.03511": "Theoretical m/z 86.035437, Mass diff 0 (0 ppm), Formula C2H4N3O", "96.05572": "Theoretical m/z 96.05562, Mass diff 0 (1.05 ppm), SMILES N=CNC=NCC, Annotation [C4H9N3-3H]+, Rule of HR True", "97.03974": "Theoretical m/z 97.039636, Mass diff 0 (1.07 ppm), SMILES N(C=NC)=COC, Annotation [C4H8N2O-3H]+, Rule of HR True", "99.06665": "Theoretical m/z 99.067071, Mass diff 0 (0 ppm), Formula C3H7N4", "100.05066": "Theoretical m/z 100.050541, Mass diff 0 (1.19 ppm), SMILES N=C(N=COC)N, Annotation [C3H7N3O-H]+, Rule of HR True", "110.04619": "Theoretical m/z 110.04667, Mass diff 0 (0 ppm), Formula C3H4N5", "110.0716": "Theoretical m/z 110.071822, Mass diff 0 (0 ppm), Formula C5H8N3", "114.06643": "Theoretical m/z 114.066188, Mass diff 0 (2.12 ppm), SMILES N(=COC)C(=NC)N, Annotation [C4H9N3O-H]+, Rule of HR True", "128.08185": "Theoretical m/z 128.081836, Mass diff 0 (0.11 ppm), SMILES N(=COC)C(=NCC)N, Annotation [C5H11N3O-H]+, Rule of HR True", "138.07761": "Theoretical m/z 138.077427, Mass diff 0 (1.33 ppm), SMILES N=C1NC=NC(=NCC)N1, Annotation [C5H9N5-H]+, Rule of HR True", "142.07253": "Theoretical m/z 142.07234, Mass diff 0 (1.34 ppm), SMILES N=C1N=C(OC)NC(=N)N1, Annotation [C4H7N5O+H]+, Rule of HR True", "168.0881": "Theoretical m/z 168.087986, Mass diff 0 (0.68 ppm), SMILES N=C1NC(N=C(OC)N1)=NCC, Annotation [C6H11N5O-H]+, Rule of HR True", "170.10394": "Theoretical m/z 170.103636, Mass diff 0 (1.79 ppm), SMILES N=C1NC(N=C(OC)N1)=NCC, Annotation [C6H11N5O+H]+, Rule of HR True", "184.11964": "Theoretical m/z 184.119291, Mass diff 0 (1.89 ppm), SMILES N=C1N=C(OC)NC(=NC(C)C)N1, Annotation [C7H13N5O+H]+, Rule of HR True"}, "num_peaks": "16", "compound_name": "Secbumeton_1", "retention_time": 3.185351, "precursor_mz": 226.1667, "collision_energy": "", "peaks_json": [[85.05116, 254026.0], [85.07622, 1248785.0], [86.03511, 7693232.0], [96.05572, 2045746.0], [97.03974, 2776563.0], [99.06665, 1175450.0], [100.05066, 9824308.0], [110.04619, 496522.0], [110.0716, 223643.0], [114.06643, 4195590.0], [128.08185, 3094754.0], [138.07761, 783556.0], [142.07253, 19868644.0], [168.0881, 278497.0], [170.10394, 12296676.0], [184.11964, 1858746.0]]}, {"scannumber": "2376", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H19N5O", "inchikey": "ZJMZZNVGNSWOOM-ZETCQYMHSA-N", "inchi": "", "smiles": "CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.05116": "Theoretical m/z 85.051421, Mass diff 0 (0 ppm), Formula C2H5N4", "85.07622": "Theoretical m/z 85.076023, Mass diff 0 (2.32 ppm), SMILES N(=CN)C(C)C, Annotation [C4H10N2-H]+, Rule of HR True", "86.03511": "Theoretical m/z 86.035437, Mass diff 0 (0 ppm), Formula C2H4N3O", "96.05572": "Theoretical m/z 96.05562, Mass diff 0 (1.05 ppm), SMILES N=CNC=NCC, Annotation [C4H9N3-3H]+, Rule of HR True", "97.03974": "Theoretical m/z 97.039636, Mass diff 0 (1.07 ppm), SMILES N(C=NC)=COC, Annotation [C4H8N2O-3H]+, Rule of HR True", "99.06665": "Theoretical m/z 99.067071, Mass diff 0 (0 ppm), Formula C3H7N4", "100.05066": "Theoretical m/z 100.050541, Mass diff 0 (1.19 ppm), SMILES N=C(N=COC)N, Annotation [C3H7N3O-H]+, Rule of HR True", "110.04619": "Theoretical m/z 110.04667, Mass diff 0 (0 ppm), Formula C3H4N5", "110.0716": "Theoretical m/z 110.071822, Mass diff 0 (0 ppm), Formula C5H8N3", "113.0825": "Theoretical m/z 113.082172, Mass diff 0 (2.9 ppm), SMILES N=C(N)NC=NCC, Annotation [C4H10N4-H]+, Rule of HR True", "114.06643": "Theoretical m/z 114.066188, Mass diff 0 (2.12 ppm), SMILES N(=COC)C(=NC)N, Annotation [C4H9N3O-H]+, Rule of HR True", "125.0461": "Theoretical m/z 125.045785, Mass diff 0 (2.52 ppm), SMILES N=C1N=C(OC)NCN1, Annotation [C4H8N4O-3H]+, Rule of HR True", "127.09787": "Theoretical m/z 127.097822, Mass diff 0 (0.38 ppm), SMILES N1=CNCNC1=NCC, Annotation [C5H10N4+H]+, Rule of HR True", "128.08185": "Theoretical m/z 128.081836, Mass diff 0 (0.11 ppm), SMILES N(=COC)C(=NCC)N, Annotation [C5H11N3O-H]+, Rule of HR True", "138.07761": "Theoretical m/z 138.077427, Mass diff 0 (1.33 ppm), SMILES N=C1NC=NC(=NCC)N1, Annotation [C5H9N5-H]+, Rule of HR True", "142.07253": "Theoretical m/z 142.07234, Mass diff 0 (1.34 ppm), SMILES N=C1N=C(OC)NC(=N)N1, Annotation [C4H7N5O+H]+, Rule of HR True", "153.07755": "Theoretical m/z 153.077081, Mass diff 0 (3.06 ppm), SMILES N1=C(OC)NC(=NCC)NC1, Annotation [C6H12N4O-3H]+, Rule of HR True", "168.0881": "Theoretical m/z 168.087986, Mass diff 0 (0.68 ppm), SMILES N=C1NC(N=C(OC)N1)=NCC, Annotation [C6H11N5O-H]+, Rule of HR True", "170.10394": "Theoretical m/z 170.103636, Mass diff 0 (1.79 ppm), SMILES N=C1NC(N=C(OC)N1)=NCC, Annotation [C6H11N5O+H]+, Rule of HR True", "184.11964": "Theoretical m/z 184.119291, Mass diff 0 (1.89 ppm), SMILES N=C1N=C(OC)NC(=NC(C)C)N1, Annotation [C7H13N5O+H]+, Rule of HR True", "226.16615": "Theoretical m/z 226.166243, Mass diff 0 (0.41 ppm), SMILES N=1C(=NCC)NC(=NC(C)CC)NC1OC, Annotation [C10H19N5O+H]+, Rule of HR True"}, "num_peaks": "22", "compound_name": "Secbumeton_2", "retention_time": 3.288845, "precursor_mz": 226.1663, "collision_energy": "", "peaks_json": [[85.05116, 203704.0], [85.07622, 1795800.0], [86.03511, 4360152.0], [96.05572, 3992152.0], [97.03974, 3296917.0], [99.06665, 489124.0], [100.05066, 11922340.0], [110.04619, 311190.0], [110.0716, 143123.0], [113.0825, 152844.0], [114.06643, 5615716.0], [125.0461, 170765.0], [127.09787, 169642.0], [128.08185, 4145137.0], [129.0112, 167032.0], [138.07761, 953215.0], [142.07253, 8482599.0], [153.07755, 208846.0], [168.0881, 343548.0], [170.10394, 12923365.0], [184.11964, 137608.0], [226.16615, 243943.0]]}, {"scannumber": "3100", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C18H35NO2", "inchikey": "PUYXTUJWRLOUCW-PQUAAJSLSA-N", "inchi": "", "smiles": "CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"100.11219": "Theoretical m/z 100.112072, Mass diff 0 (1.18 ppm), SMILES N(C)(CC)CCC, Annotation [C6H15N-H]+, Rule of HR True", "102.09142": "Theoretical m/z 102.091343, Mass diff 0 (0.76 ppm), SMILES OCCN(C)CC, Annotation [C5H13NO-H]+, Rule of HR True", "126.12786": "Theoretical m/z 126.127725, Mass diff 0 (1.07 ppm), SMILES N(CC)(CCC)CCC, Annotation [C8H19N-3H]+, Rule of HR True", "144.13857": "Theoretical m/z 144.138294, Mass diff 0 (1.92 ppm), SMILES OC(C)CN(CC)CCC, Annotation [C8H19NO-H]+, Rule of HR True"}, "num_peaks": "4", "compound_name": "Spiroxamine_1", "retention_time": 4.508498, "precursor_mz": 298.2746, "collision_energy": "", "peaks_json": [[100.11219, 3396827.0], [102.09142, 137060.0], [126.12786, 85740.0], [144.13857, 3215019.0]]}, {"scannumber": "6504", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C8H6N2OS2", "inchikey": "UELITFHSCLAHKR-UHFFFAOYSA-N", "inchi": "", "smiles": "CSC(=O)c1cccc2c1snn2", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"90.96726": "Theoretical m/z 90.967617, Mass diff 0 (0 ppm), Formula C2H3S2", "91.05441": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "95.04928": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "104.02592": "Theoretical m/z 104.025664, Mass diff 0 (2.46 ppm), SMILES O=CC=1C=CC=CC1, Annotation [C7H6O-2H]+, Rule of HR False", "105.04505": "Theoretical m/z 105.044727, Mass diff 0 (3.08 ppm), SMILES N=NC=1C=CC=CC1, Annotation [C6H6N2-H]+, Rule of HR True", "106.99528": "Theoretical m/z 106.994996, Mass diff 0 (2.65 ppm), SMILES SC=1C=CC=CC1, Annotation [C6H6S-3H]+, Rule of HR True", "109.0107": "Theoretical m/z 109.010646, Mass diff 0 (0.49 ppm), SMILES SC=1C=CC=CC1, Annotation [C6H6S-H]+, Rule of HR True", "111.02646": "Theoretical m/z 111.026297, Mass diff 0 (1.47 ppm), SMILES SC=1C=CC=CC1, Annotation [C6H6S+H]+, Rule of HR True", "121.01091": "Theoretical m/z 121.011196, Mass diff 0 (0 ppm), Formula C7H5S", "134.99037": "Theoretical m/z 134.989908, Mass diff 0 (3.43 ppm), SMILES O=C(S)C=1C=CC=CC1, Annotation [C7H6OS-3H]+, Rule of HR True", "152.98305": "Theoretical m/z 152.983267, Mass diff 0 (0 ppm), Formula C7H5S2", "210.99977": "Theoretical m/z 210.999433, Mass diff 0 (1.6 ppm), SMILES O=C(SC)C1=CC=CC=2N=NSC21, Annotation [C8H6N2OS2+H]+, Rule of HR True"}, "num_peaks": "19", "compound_name": "Acibenzolar-S-methyl", "retention_time": 7.209623, "precursor_mz": 210.9997, "collision_energy": "", "peaks_json": [[90.96726, 85952.0], [91.05441, 657143.0], [95.04928, 118440.0], [96.00319, 401311.0], [104.02592, 176500.0], [105.04505, 89136.0], [106.99528, 418903.0], [108.00302, 780675.0], [109.0107, 470651.0], [111.02646, 108320.0], [121.01091, 958564.0], [122.01855, 285730.0], [134.99037, 663158.0], [135.99904, 120240.0], [136.00926, 5947453.0], [139.97499, 2000969.0], [152.98305, 216362.0], [167.97003, 464522.0], [210.99977, 327401.0]]}, {"scannumber": "3267", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C13H24N4O3S", "inchikey": "DSKJPMWIHSOYEA-UHFFFAOYSA-N", "inchi": "", "smiles": "CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"86.07153": "Theoretical m/z 86.07127, Mass diff 0 (3.02 ppm), SMILES N(=C(N)N)CC, Annotation [C3H9N3-H]+, Rule of HR True", "93.07003": "Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9", "95.06072": "Theoretical m/z 95.060923, Mass diff 0 (0 ppm), Formula C5H7N2", "95.08585": "Theoretical m/z 95.085527, Mass diff 0 (3.4 ppm), SMILES C(=CCCCC)C, Annotation [C7H14-3H]+, Rule of HR True", "96.04461": "Theoretical m/z 96.044939, Mass diff 0 (0 ppm), Formula C5H6NO", "96.08099": "Theoretical m/z 96.080774, Mass diff 0 (2.25 ppm), SMILES NC=CCCCC, Annotation [C6H13N-3H]+, Rule of HR True", "97.03999": "Theoretical m/z 97.039636, Mass diff 0 (3.65 ppm), SMILES OC=NC=NCC, Annotation [C4H8N2O-3H]+, Rule of HR True", "98.06032": "Theoretical m/z 98.060589, Mass diff 0 (0 ppm), Formula C5H8NO", "107.07314": "Theoretical m/z 107.073499, Mass diff 0 (0 ppm), Formula C7H9N", "108.01175": "Theoretical m/z 108.011379, Mass diff 0 (3.44 ppm), SMILES O=S(=O)N(C)C, Annotation [C2H7NO2S-H]+, Rule of HR True", "109.0761": "Theoretical m/z 109.076021, Mass diff 0 (0.73 ppm), SMILES N(=CNC(=C)C)CC, Annotation [C6H12N2-3H]+, Rule of HR True", "110.06014": "Theoretical m/z 110.060042, Mass diff 0 (0.89 ppm), SMILES N=C(O)CCCCC, Annotation [C6H13NO-5H]+, Rule of HR True", "110.0716": "Theoretical m/z 110.071822, Mass diff 0 (0 ppm), Formula C5H8N3", "110.09671": "Theoretical m/z 110.096422, Mass diff 0 (2.62 ppm), SMILES NC(=CCCCC)C, Annotation [C7H15N-3H]+, Rule of HR True", "120.081": "Theoretical m/z 120.080771, Mass diff 0 (1.9 ppm), SMILES N=CC(=CC)CCCC, Annotation [C8H15N-5H]+, Rule of HR True", "122.07138": "Theoretical m/z 122.071273, Mass diff 0 (0.88 ppm), SMILES N(=C)C(=NCC)NCC, Annotation [C6H13N3-5H]+, Rule of HR True", "122.09673": "Theoretical m/z 122.096422, Mass diff 0 (2.53 ppm), SMILES N=CC(=CC)CCCC, Annotation [C8H15N-3H]+, Rule of HR True", "123.05569": "Theoretical m/z 123.055838, Mass diff 0 (0 ppm), Formula C6H7N2O", "123.09197": "Theoretical m/z 123.091676, Mass diff 0 (2.39 ppm), SMILES N(=CNC(=CC)C)CC, Annotation [C7H14N2-3H]+, Rule of HR True", "136.0872": "Theoretical m/z 136.086918, Mass diff 0 (2.08 ppm), SMILES N1=CC=C(NC1=NCC)C, Annotation [C7H11N3-H]+, Rule of HR True", "138.06628": "Theoretical m/z 138.066192, Mass diff 0 (0.64 ppm), SMILES OC=NC(=NCC)NCC, Annotation [C6H13N3O-5H]+, Rule of HR True", "138.09154": "Theoretical m/z 138.091333, Mass diff 0 (1.5 ppm), SMILES N=C(O)C(=CC)CCCC, Annotation [C8H15NO-3H]+, Rule of HR True", "138.10286": "Theoretical m/z 138.102568, Mass diff 0 (2.12 ppm), SMILES N1=CC=C(NC1=NCC)C, Annotation [C7H11N3+H]+, Rule of HR True", "139.12334": "Theoretical m/z 139.122974, Mass diff 0 (2.63 ppm), SMILES N=CNC(=CCCCC)C, Annotation [C8H16N2-H]+, Rule of HR True", "140.10709": "Theoretical m/z 140.106983, Mass diff 0 (0.76 ppm), SMILES N=C(O)C(=CC)CCCC, Annotation [C8H15NO-H]+, Rule of HR True", "148.08701": "Theoretical m/z 148.086923, Mass diff 0 (0.59 ppm), SMILES N1=CC(=C(NC1=NCC)C)C, Annotation [C8H13N3-3H]+, Rule of HR True", "150.10286": "Theoretical m/z 150.102573, Mass diff 0 (1.91 ppm), SMILES N1=CC(=C(NC1=NCC)C)C, Annotation [C8H13N3-H]+, Rule of HR True", "151.12326": "Theoretical m/z 151.122974, Mass diff 0 (1.89 ppm), SMILES N1=CC(=C(NC1)C)CCCC, Annotation [C9H16N2-H]+, Rule of HR True", "152.08211": "Theoretical m/z 152.081836, Mass diff 0 (1.8 ppm), SMILES OC1=NC(=NCC)NC(=C1)C, Annotation [C7H11N3O-H]+, Rule of HR True", "164.08234": "Theoretical m/z 164.081842, Mass diff 0 (3.04 ppm), SMILES OC1=NC(=NCC)NC(=C1C)C, Annotation [C8H13N3O-3H]+, Rule of HR True", "165.10242": "Theoretical m/z 165.102243, Mass diff 0 (1.07 ppm), SMILES OC1=NCNC(=C1CCCC)C, Annotation [C9H16N2O-3H]+, Rule of HR True", "166.09755": "Theoretical m/z 166.097492, Mass diff 0 (0.35 ppm), SMILES OC1=NC(=NCC)NC(=C1C)C, Annotation [C8H13N3O-H]+, Rule of HR True", "179.12965": "Theoretical m/z 179.129671, Mass diff -0.001 (0 ppm), Formula C9H15N4", "180.11362": "Theoretical m/z 180.113132, Mass diff 0 (2.71 ppm), SMILES N=C1N=C(O)C(=C(N1)C)CCCC, Annotation [C9H15N3O-H]+, Rule of HR True", "180.14995": "Theoretical m/z 180.149519, Mass diff 0 (2.39 ppm), SMILES N1=CC(=CNC1=NCC)CCCC, Annotation [C10H17N3+H]+, Rule of HR True", "182.12912": "Theoretical m/z 182.128782, Mass diff 0 (1.85 ppm), SMILES N=C1N=C(O)C(=C(N1)C)CCCC, Annotation [C9H15N3O+H]+, Rule of HR True", "191.11787": "Theoretical m/z 191.117889, Mass diff 0 (0.1 ppm), SMILES OC(=NC=NCC)C(=CC)CCCC, Annotation [C11H20N2O-5H]+, Rule of HR True", "192.14951": "Theoretical m/z 192.149524, Mass diff 0 (0.07 ppm), SMILES N1=CC(=C(NC1=NCC)C)CCCC, Annotation [C11H19N3-H]+, Rule of HR True", "193.13402": "Theoretical m/z 193.133539, Mass diff 0 (2.49 ppm), SMILES OC(=NC=NCC)C(=CC)CCCC, Annotation [C11H20N2O-3H]+, Rule of HR True", "194.12903": "Theoretical m/z 194.128788, Mass diff 0 (1.25 ppm), SMILES OC1=NC(=NCC)NC=C1CCCC, Annotation [C10H17N3O-H]+, Rule of HR True", "208.14435": "Theoretical m/z 208.144443, Mass diff 0 (0.45 ppm), SMILES OC1=NC(=NCC)NC(=C1CCCC)C, Annotation [C11H19N3O-H]+, Rule of HR True", "209.17653": "Theoretical m/z 209.176622, Mass diff 0 (0 ppm), Formula C11H21N4", "210.15997": "Theoretical m/z 210.160093, Mass diff 0 (0.59 ppm), SMILES OC1=NC(=NCC)NC(=C1CCCC)C, Annotation [C11H19N3O+H]+, Rule of HR True", "224.17574": "Theoretical m/z 224.176287, Mass diff 0 (0 ppm), Formula C12H22N3O", "237.20732": "Theoretical m/z 237.207922, Mass diff 0 (0 ppm), Formula C13H25N4", "272.10626": "Theoretical m/z 272.106342, Mass diff 0 (0.3 ppm), SMILES O=S(=O)OC1=NC(=NCC)NC(=C1CCCC)C, Annotation [C11H19N3O3S-H]+, Rule of HR True"}, "num_peaks": "55", "compound_name": "Bupirimate", "retention_time": 6.076324, "precursor_mz": 317.1649, "collision_energy": "", "peaks_json": [[86.07153, 235598.0], [93.07003, 108137.0], [95.06072, 255743.0], [95.08585, 244503.0], [96.04461, 1438629.0], [96.08099, 127976.0], [97.03999, 368735.0], [98.06032, 1406789.0], [107.07314, 137145.0], [108.01175, 7604676.0], [109.0761, 227922.0], [110.06014, 169356.0], [110.0716, 162792.0], [110.09671, 354193.0], [120.081, 147452.0], [122.07138, 411681.0], [122.09673, 123475.0], [123.05569, 195728.0], [123.09197, 115035.0], [124.06344, 181991.0], [136.0872, 149699.0], [137.05867, 120788.0], [137.09485, 160672.0], [138.06628, 1098460.0], [138.09154, 233604.0], [138.10286, 398553.0], [139.07446, 1057776.0], [139.12334, 148466.0], [140.10709, 5071826.0], [148.08701, 244501.0], [150.10286, 2737236.0], [151.07442, 131788.0], [151.11079, 210989.0], [151.12326, 149447.0], [152.08211, 600122.0], [164.08234, 442472.0], [165.08989, 1444691.0], [165.10242, 2298446.0], [166.09755, 10809536.0], [167.10577, 1006139.0], [179.12965, 335810.0], [180.11362, 538952.0], [180.14995, 435438.0], [182.12912, 1149384.0], [191.11787, 124435.0], [192.14951, 246681.0], [193.13402, 1395706.0], [194.12903, 1925937.0], [208.14435, 1874942.0], [209.17653, 127377.0], [210.15997, 6891096.0], [224.17574, 413548.0], [237.20732, 1204267.0], [262.08615, 349666.0], [272.10626, 143082.0]]}, {"scannumber": "5627", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C16H23N3OS", "inchikey": "PRLVTUNWOQKEAI-UHFFFAOYSA-N", "inchi": "", "smiles": "CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"86.06017": "Theoretical m/z 86.060039, Mass diff 0 (1.52 ppm), SMILES O=CNC(C)C, Annotation [C4H9NO-H]+, Rule of HR True", "95.04928": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "102.03746": "Theoretical m/z 102.037197, Mass diff 0 (2.58 ppm), SMILES SC=NC(C)C, Annotation [C4H9NS-H]+, Rule of HR True", "102.99629": "Theoretical m/z 102.996609, Mass diff 0 (0 ppm), Formula C2H3N2OS", "106.06516": "Theoretical m/z 106.065128, Mass diff 0 (0.3 ppm), SMILES C=1C=CC(=CC1)NC, Annotation [C7H9N-H]+, Rule of HR True", "145.04333": "Theoretical m/z 145.043008, Mass diff 0 (2.22 ppm), SMILES O=C(NCS)NC(C)C, Annotation [C5H12N2OS-3H]+, Rule of HR True", "208.05412": "Theoretical m/z 208.053907, Mass diff 0 (1.02 ppm), SMILES O=C1NC(=N)SCN1C=2C=CC=CC2, Annotation [C9H9N3OS+H]+, Rule of HR True"}, "num_peaks": "7", "compound_name": "Buprofezin", "retention_time": 7.028851, "precursor_mz": 306.1638, "collision_energy": "", "peaks_json": [[86.06017, 3955916.0], [95.04928, 722739.0], [102.03746, 765607.0], [102.99629, 1020337.0], [106.06516, 49438552.0], [145.04333, 786651.0], [208.05412, 1036458.0]]}, {"scannumber": "2650", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H13NO2S", "inchikey": "GYSSRZJIHXQEHQ-UHFFFAOYSA-N", "inchi": "", "smiles": "OC(=Nc1ccccc1)C1=C(C)OCCS1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"86.99005": "Theoretical m/z 86.989915, Mass diff 0 (1.55 ppm), SMILES OC(=CS)C, Annotation [C3H6OS-3H]+, Rule of HR True", "89.00569": "Theoretical m/z 89.005565, Mass diff 0 (1.4 ppm), SMILES OC(=CS)C, Annotation [C3H6OS-H]+, Rule of HR True", "92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "93.0575": "Theoretical m/z 93.057297, Mass diff 0 (2.18 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N]+, Rule of HR False", "95.04928": "Theoretical m/z 95.04914, Mass diff 0 (1.47 ppm), SMILES O(C(=CC)C)CC, Annotation [C6H12O-5H]+, Rule of HR True", "99.02643": "Theoretical m/z 99.0263, Mass diff 0 (1.31 ppm), SMILES S(C=CC)CC, Annotation [C5H10S-3H]+, Rule of HR True", "104.04956": "Theoretical m/z 104.049472, Mass diff 0 (0.84 ppm), SMILES N(=C)C=1C=CC=CC1, Annotation [C7H7N-H]+, Rule of HR True", "115.02152": "Theoretical m/z 115.021213, Mass diff 0 (2.67 ppm), SMILES O1C(=CSCC1)C, Annotation [C5H8OS-H]+, Rule of HR True", "120.04463": "Theoretical m/z 120.044391, Mass diff 0 (1.99 ppm), SMILES OC=NC=1C=CC=CC1, Annotation [C7H7NO-H]+, Rule of HR True", "124.02155": "Theoretical m/z 124.021545, Mass diff 0 (0.04 ppm), SMILES N=CC(SCC)=CC, Annotation [C6H11NS-5H]+, Rule of HR True", "128.04956": "Theoretical m/z 128.049478, Mass diff 0 (0.64 ppm), SMILES N(=CC=C)C=1C=CC=CC1, Annotation [C9H9N-3H]+, Rule of HR True", "132.04463": "Theoretical m/z 132.044397, Mass diff 0 (1.77 ppm), SMILES OC(=NC=1C=CC=CC1)C, Annotation [C8H9NO-3H]+, Rule of HR True", "138.03711": "Theoretical m/z 138.037745, Mass diff 0 (0 ppm), Formula C7H8NS", "143.01614": "Theoretical m/z 143.016675, Mass diff 0 (0 ppm), Formula C6H7O2S", "146.06033": "Theoretical m/z 146.060047, Mass diff 0 (1.94 ppm), SMILES OC(=NC=1C=CC=CC1)C=C, Annotation [C9H9NO-H]+, Rule of HR True", "148.02174": "Theoretical m/z 148.021539, Mass diff 0 (1.36 ppm), SMILES SCC=NC=1C=CC=CC1, Annotation [C8H9NS-3H]+, Rule of HR True", "162.03714": "Theoretical m/z 162.037189, Mass diff 0 (0.3 ppm), SMILES SC(=C)C=NC=1C=CC=CC1, Annotation [C9H9NS-H]+, Rule of HR True", "166.03207": "Theoretical m/z 166.032108, Mass diff 0 (0.23 ppm), SMILES OC(=NC=1C=CC=CC1)CS, Annotation [C8H9NOS-H]+, Rule of HR True"}, "num_peaks": "21", "compound_name": "Carboxin", "retention_time": 5.514598, "precursor_mz": 236.0745, "collision_energy": "", "peaks_json": [[86.99005, 83162.0], [89.00569, 35962.0], [92.0498, 113299.0], [93.0575, 2928372.0], [94.06519, 52720.0], [95.04928, 67153.0], [99.02643, 59993.0], [104.04956, 151593.0], [105.04476, 45581.0], [115.02152, 31967.0], [120.04463, 57401.0], [124.02155, 960327.0], [128.04956, 63924.0], [132.04463, 580531.0], [138.03711, 35055.0], [143.01614, 2499380.0], [146.06033, 163428.0], [148.02174, 69210.0], [162.03714, 126130.0], [165.02444, 140508.0], [166.03207, 97516.0]]}, {"scannumber": "4128", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H26NO3ClS", "inchikey": "SILSDTWXNBZOGF-KUZBFYBWSA-N", "inchi": "", "smiles": "CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.0422": "Theoretical m/z 89.04195, Mass diff 0 (2.81 ppm), SMILES S(CC)CC, Annotation [C4H10S-H]+, Rule of HR True", "91.05441": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "93.0575": "Theoretical m/z 93.057849, Mass diff 0 (0 ppm), Formula C6H7N", "93.07003": "Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9", "95.04928": "Theoretical m/z 95.049142, Mass diff 0 (1.45 ppm), SMILES O=C(C=CCC)C, Annotation [C6H10O-3H]+, Rule of HR True", "95.0856": "Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11", "96.04461": "Theoretical m/z 96.044387, Mass diff 0 (2.32 ppm), SMILES O(NC(=C)CC)C, Annotation [C5H11NO-5H]+, Rule of HR True", "98.06032": "Theoretical m/z 98.060037, Mass diff 0 (2.89 ppm), SMILES O(NC(=C)CC)C, Annotation [C5H11NO-3H]+, Rule of HR True", "103.05439": "Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7", "105.07019": "Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9", "106.06516": "Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N", "107.04936": "Theoretical m/z 107.04969, Mass diff 0 (0 ppm), Formula C7H7O", "107.08563": "Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11", "108.0446": "Theoretical m/z 108.044387, Mass diff 0 (1.97 ppm), SMILES O=C(C=C(N)CC)C, Annotation [C6H11NO-5H]+, Rule of HR True", "108.08108": "Theoretical m/z 108.081324, Mass diff 0 (0 ppm), Formula C7H10N", "109.0651": "Theoretical m/z 109.064788, Mass diff 0 (2.86 ppm), SMILES O=CCC(C)CCC, Annotation [C7H14O-5H]+, Rule of HR True", "110.06014": "Theoretical m/z 110.060037, Mass diff 0 (0.94 ppm), SMILES O=C(C=C(N)CC)C, Annotation [C6H11NO-3H]+, Rule of HR True", "110.09671": "Theoretical m/z 110.096974, Mass diff 0 (0 ppm), Formula C7H12N", "111.04435": "Theoretical m/z 111.044056, Mass diff 0 (2.65 ppm), SMILES O=CC(C=O)=CCC, Annotation [C6H8O2-H]+, Rule of HR True", "114.05498": "Theoretical m/z 114.054958, Mass diff 0 (0.19 ppm), SMILES O=CC=C(NO)CC, Annotation [C5H9NO2-H]+, Rule of HR True", "114.0916": "Theoretical m/z 114.091343, Mass diff 0 (2.26 ppm), SMILES O(NCCC)CC=C, Annotation [C6H13NO-H]+, Rule of HR True", "115.0543": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "117.05739": "Theoretical m/z 117.057849, Mass diff 0 (0 ppm), Formula C8H7N", "117.06997": "Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9", "118.06519": "Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N", "119.04944": "Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O", "119.0857": "Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11", "120.04463": "Theoretical m/z 120.044939, Mass diff 0 (0 ppm), Formula C7H6NO", "120.081": "Theoretical m/z 120.081324, Mass diff 0 (0 ppm), Formula C8H10N", "121.06487": "Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O", "122.06016": "Theoretical m/z 122.060042, Mass diff 0 (0.96 ppm), SMILES O(NC(=C)CC)CC=C, Annotation [C7H13NO-5H]+, Rule of HR True", "122.09673": "Theoretical m/z 122.096974, Mass diff 0 (0 ppm), Formula C8H12N", "123.04433": "Theoretical m/z 123.044053, Mass diff 0 (2.25 ppm), SMILES O=CC(=CCC)C(=O)C, Annotation [C7H10O2-3H]+, Rule of HR True", "124.03934": "Theoretical m/z 124.039306, Mass diff 0 (0.28 ppm), SMILES O=CC=C(NOC)CC, Annotation [C6H11NO2-5H]+, Rule of HR True", "124.07605": "Theoretical m/z 124.075693, Mass diff 0 (2.88 ppm), SMILES O(NC(=C)CC)CC=C, Annotation [C7H13NO-3H]+, Rule of HR True", "127.02138": "Theoretical m/z 127.021209, Mass diff 0 (1.35 ppm), SMILES O=CCCCC(S)C, Annotation [C6H12OS-5H]+, Rule of HR True", "128.06201": "Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8", "129.07021": "Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9", "131.0731": "Theoretical m/z 131.073499, Mass diff 0 (0 ppm), Formula C9H9N", "131.08559": "Theoretical m/z 131.086075, Mass diff 0 (0 ppm), Formula C10H11", "132.08089": "Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N", "133.06488": "Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O", "133.10155": "Theoretical m/z 133.101725, Mass diff 0 (0 ppm), Formula C10H13", "134.06033": "Theoretical m/z 134.060589, Mass diff 0 (0 ppm), Formula C8H8NO", "134.09659": "Theoretical m/z 134.096974, Mass diff 0 (0 ppm), Formula C9H12N", "135.08049": "Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O", "136.03949": "Theoretical m/z 136.039306, Mass diff 0 (1.35 ppm), SMILES O=CC(C(=O)C)=C(N)CC, Annotation [C7H11NO2-5H]+, Rule of HR True", "136.07568": "Theoretical m/z 136.076239, Mass diff 0 (0 ppm), Formula C8H10NO", "136.11234": "Theoretical m/z 136.112624, Mass diff 0 (0 ppm), Formula C9H14N", "137.05997": "Theoretical m/z 137.059701, Mass diff 0 (1.96 ppm), SMILES O=C(C(=CCC)C(=O)C)C, Annotation [C8H12O2-3H]+, Rule of HR True", "138.05496": "Theoretical m/z 138.054961, Mass diff 0 (0.01 ppm), SMILES O=C(C=C(NOC)CC)C, Annotation [C7H13NO2-5H]+, Rule of HR True", "138.09154": "Theoretical m/z 138.091889, Mass diff 0 (0 ppm), Formula C8H12NO", "144.08099": "Theoretical m/z 144.081324, Mass diff 0 (0 ppm), Formula C10H10N", "145.0649": "Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O", "146.06033": "Theoretical m/z 146.060589, Mass diff 0 (0 ppm), Formula C9H8NO", "146.09634": "Theoretical m/z 146.096974, Mass diff 0 (0 ppm), Formula C10H12N", "147.04402": "Theoretical m/z 147.044547, Mass diff 0.001 (3.58 ppm), SMILES ClC=CCONCCC, Annotation [C6H12ClNO-2H]+, Rule of HR False", "147.08089": "Theoretical m/z 147.08099, Mass diff 0 (0 ppm), Formula C10H11O", "148.0759": "Theoretical m/z 148.076239, Mass diff 0 (0 ppm), Formula C9H10NO", "149.06003": "Theoretical m/z 149.059701, Mass diff 0 (2.21 ppm), SMILES O=C1C(=CCC)C(=O)CCC1, Annotation [C9H12O2-3H]+, Rule of HR True", "150.05499": "Theoretical m/z 150.054961, Mass diff 0 (0.19 ppm), SMILES O=C(C(C(=O)C)=C(N)CC)C, Annotation [C8H13NO2-5H]+, Rule of HR True", "150.09151": "Theoretical m/z 150.091889, Mass diff 0 (0 ppm), Formula C9H12NO", "150.12804": "Theoretical m/z 150.128275, Mass diff 0 (0 ppm), Formula C10H16N", "152.07053": "Theoretical m/z 152.070611, Mass diff 0 (0.53 ppm), SMILES O=C(C(C(=O)C)=C(N)CC)C, Annotation [C8H13NO2-3H]+, Rule of HR True", "160.07613": "Theoretical m/z 160.076239, Mass diff 0 (0 ppm), Formula C10H10NO", "160.11201": "Theoretical m/z 160.112624, Mass diff 0 (0 ppm), Formula C11H14N", "161.0601": "Theoretical m/z 161.060197, Mass diff 0 (0.6 ppm), SMILES ClC=CCONC(=C)CC, Annotation [C7H12ClNO]+, Rule of HR False", "161.09631": "Theoretical m/z 161.09664, Mass diff 0 (0 ppm), Formula C11H13O", "162.0554": "Theoretical m/z 162.055503, Mass diff 0 (0 ppm), Formula C9H8NO2", "162.0914": "Theoretical m/z 162.091889, Mass diff 0 (0 ppm), Formula C10H12NO", "163.06274": "Theoretical m/z 163.062786, Mass diff 0 (0.28 ppm), SMILES O=C1C(C(=O)CCC1)=C(N)CC, Annotation [C9H13NO2-4H]+, Rule of HR False", "164.07106": "Theoretical m/z 164.070611, Mass diff 0 (2.73 ppm), SMILES O=C1C(C(=O)CCC1)=C(N)CC, Annotation [C9H13NO2-3H]+, Rule of HR True", "164.10716": "Theoretical m/z 164.107539, Mass diff 0 (0 ppm), Formula C10H14NO", "166.08664": "Theoretical m/z 166.086261, Mass diff 0 (2.28 ppm), SMILES O=C1C(C(=O)CCC1)=C(N)CC, Annotation [C9H13NO2-H]+, Rule of HR True", "166.12283": "Theoretical m/z 166.123189, Mass diff 0 (0 ppm), Formula C10H16NO", "167.09418": "Theoretical m/z 167.094086, Mass diff 0 (0.56 ppm), SMILES O=C1C(C(=O)CCC1)=C(N)CC, Annotation [C9H13NO2]+, Rule of HR False", "178.08673": "Theoretical m/z 178.086252, Mass diff 0 (2.69 ppm), SMILES O=C1C(C(=O)CC(C)C1)=C(N)CC, Annotation [C10H15NO2-3H]+, Rule of HR True", "178.12309": "Theoretical m/z 178.123189, Mass diff 0 (0 ppm), Formula C11H16NO", "180.08443": "Theoretical m/z 180.084695, Mass diff 0 (0 ppm), Formula C10H14NS", "180.10194": "Theoretical m/z 180.101902, Mass diff 0 (0.21 ppm), SMILES O=C1C(C(=O)CC(C)C1)=C(N)CC, Annotation [C10H15NO2-H]+, Rule of HR True", "190.1227": "Theoretical m/z 190.123189, Mass diff 0 (0 ppm), Formula C12H16NO", "192.10233": "Theoretical m/z 192.102454, Mass diff 0 (0 ppm), Formula C11H14NO2", "206.11787": "Theoretical m/z 206.117563, Mass diff 0 (1.49 ppm), SMILES O=C1C(C(=O)CC(C1)CCC)=C(N)CC, Annotation [C12H19NO2-3H]+, Rule of HR True", "212.11047": "Theoretical m/z 212.11091, Mass diff 0 (0 ppm), Formula C11H18NOS", "240.10542": "Theoretical m/z 240.105269, Mass diff 0 (0.63 ppm), SMILES O=C(C=C(NO)CC)CCCC(SCC)C, Annotation [C12H23NO2S-5H]+, Rule of HR True"}, "num_peaks": "93", "compound_name": "Clethodim_1", "retention_time": 6.687163, "precursor_mz": 360.1401, "collision_energy": "", "peaks_json": [[89.0422, 26517.0], [91.05441, 49957.0], [92.04956, 6055.0], [93.0575, 11783.0], [93.07003, 33788.0], [94.06519, 21009.0], [95.04928, 65958.0], [95.0856, 11343.0], [96.04461, 77264.0], [98.06032, 83926.0], [103.05439, 27407.0], [105.04505, 6981.0], [105.07019, 30263.0], [106.06516, 86354.0], [107.04936, 34964.0], [107.08563, 8621.0], [108.0446, 28107.0], [108.08108, 167346.0], [109.0651, 32723.0], [110.06014, 31720.0], [110.09671, 12453.0], [111.04435, 12775.0], [111.06791, 6651.0], [114.05498, 7671.0], [114.0916, 11353.0], [115.0543, 6778.0], [117.05739, 8001.0], [117.06997, 20495.0], [118.06519, 20951.0], [119.04944, 18911.0], [119.06059, 9053.0], [119.0857, 23128.0], [120.04463, 7579.0], [120.081, 8457.0], [121.06487, 56724.0], [122.06016, 65198.0], [122.09673, 13384.0], [123.04433, 7289.0], [124.03934, 5264.0], [124.07605, 20748.0], [127.02138, 23658.0], [128.06201, 5671.0], [129.07021, 5839.0], [131.0731, 6698.0], [131.08559, 5362.0], [132.08089, 18560.0], [133.06488, 10377.0], [133.10155, 8105.0], [134.06033, 147188.0], [134.09659, 13221.0], [135.08049, 8346.0], [136.03949, 70010.0], [136.07568, 371565.0], [136.11234, 9112.0], [137.05997, 23108.0], [138.05496, 9422.0], [138.09154, 20890.0], [144.08099, 5145.0], [145.0649, 6292.0], [146.06033, 26112.0], [146.09634, 7672.0], [147.04402, 77322.0], [147.08089, 12959.0], [148.0759, 20412.0], [149.04733, 5916.0], [149.06003, 102646.0], [150.05499, 6525.0], [150.09151, 15556.0], [150.12804, 6161.0], [152.07053, 18217.0], [158.04488, 6800.0], [160.07613, 16467.0], [160.11201, 5212.0], [161.0601, 8950.0], [161.09631, 9597.0], [162.0554, 6952.0], [162.0914, 19731.0], [163.06274, 15231.0], [164.07106, 350022.0], [164.10716, 16374.0], [166.08664, 512799.0], [166.12283, 13211.0], [167.09418, 26398.0], [173.50754, 5344.0], [178.08673, 16500.0], [178.12309, 12987.0], [180.08443, 5978.0], [180.10194, 6844.0], [190.1227, 6425.0], [192.10233, 16067.0], [206.11787, 6696.0], [212.11047, 16431.0], [240.10542, 8682.0]]}, {"scannumber": "7016", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H26NO3ClS", "inchikey": "SILSDTWXNBZOGF-KUZBFYBWSA-N", "inchi": "", "smiles": "CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.0422": "Theoretical m/z 89.04195, Mass diff 0 (2.81 ppm), SMILES S(CC)CC, Annotation [C4H10S-H]+, Rule of HR True", "91.05464": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "93.05774": "Theoretical m/z 93.057849, Mass diff 0 (0 ppm), Formula C6H7N", "93.07027": "Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9", "94.06543": "Theoretical m/z 94.065674, Mass diff 0 (0 ppm), Formula C6H8N", "95.04953": "Theoretical m/z 95.049142, Mass diff 0 (4.08 ppm), SMILES O=C(C=CCC)C, Annotation [C6H10O-3H]+, Rule of HR True", "95.08585": "Theoretical m/z 95.086075, Mass diff 0 (0 ppm), Formula C7H11", "96.04461": "Theoretical m/z 96.044387, Mass diff 0 (2.32 ppm), SMILES O(NC(=C)CC)C, Annotation [C5H11NO-5H]+, Rule of HR True", "98.06032": "Theoretical m/z 98.060037, Mass diff 0 (2.89 ppm), SMILES O(NC(=C)CC)C, Annotation [C5H11NO-3H]+, Rule of HR True", "103.05467": "Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7", "105.07019": "Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9", "106.06545": "Theoretical m/z 106.065674, Mass diff 0 (0 ppm), Formula C7H8N", "107.04936": "Theoretical m/z 107.04969, Mass diff 0 (0 ppm), Formula C7H7O", "107.08593": "Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11", "108.0446": "Theoretical m/z 108.044387, Mass diff 0 (1.97 ppm), SMILES O=C(C=C(N)CC)C, Annotation [C6H11NO-5H]+, Rule of HR True", "108.08108": "Theoretical m/z 108.081324, Mass diff 0 (0 ppm), Formula C7H10N", "109.0651": "Theoretical m/z 109.064788, Mass diff 0 (2.86 ppm), SMILES O=CCC(C)CCC, Annotation [C7H14O-5H]+, Rule of HR True", "110.06044": "Theoretical m/z 110.060037, Mass diff 0 (3.66 ppm), SMILES O=C(C=C(N)CC)C, Annotation [C6H11NO-3H]+, Rule of HR True", "111.04435": "Theoretical m/z 111.044056, Mass diff 0 (2.65 ppm), SMILES O=CC(C=O)=CCC, Annotation [C6H8O2-H]+, Rule of HR True", "114.0916": "Theoretical m/z 114.091343, Mass diff 0 (2.26 ppm), SMILES O(NCCC)CC=C, Annotation [C6H13NO-H]+, Rule of HR True", "117.07031": "Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9", "118.06553": "Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N", "119.04944": "Theoretical m/z 119.04969, Mass diff 0 (0 ppm), Formula C8H7O", "119.0857": "Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11", "120.081": "Theoretical m/z 120.081324, Mass diff 0 (0 ppm), Formula C8H10N", "121.06523": "Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O", "122.06016": "Theoretical m/z 122.060042, Mass diff 0 (0.96 ppm), SMILES O(NC(=C)CC)CC=C, Annotation [C7H13NO-5H]+, Rule of HR True", "122.09673": "Theoretical m/z 122.096974, Mass diff 0 (0 ppm), Formula C8H12N", "124.07605": "Theoretical m/z 124.075693, Mass diff 0 (2.88 ppm), SMILES O(NC(=C)CC)CC=C, Annotation [C7H13NO-3H]+, Rule of HR True", "127.02138": "Theoretical m/z 127.021209, Mass diff 0 (1.35 ppm), SMILES O=CCCCC(S)C, Annotation [C6H12OS-5H]+, Rule of HR True", "133.10155": "Theoretical m/z 133.101725, Mass diff 0 (0 ppm), Formula C10H13", "134.06033": "Theoretical m/z 134.060589, Mass diff 0 (0 ppm), Formula C8H8NO", "134.09659": "Theoretical m/z 134.096974, Mass diff 0 (0 ppm), Formula C9H12N", "135.08092": "Theoretical m/z 135.08099, Mass diff 0 (0 ppm), Formula C9H11O", "136.07613": "Theoretical m/z 136.076239, Mass diff 0 (0 ppm), Formula C8H10NO", "136.11234": "Theoretical m/z 136.112624, Mass diff 0 (0 ppm), Formula C9H14N", "137.05997": "Theoretical m/z 137.059701, Mass diff 0 (1.96 ppm), SMILES O=C(C(=CCC)C(=O)C)C, Annotation [C8H12O2-3H]+, Rule of HR True", "138.05539": "Theoretical m/z 138.054961, Mass diff 0 (3.11 ppm), SMILES O=C(C=C(NOC)CC)C, Annotation [C7H13NO2-5H]+, Rule of HR True", "138.09154": "Theoretical m/z 138.091889, Mass diff 0 (0 ppm), Formula C8H12NO", "146.06033": "Theoretical m/z 146.060589, Mass diff 0 (0 ppm), Formula C9H8NO", "146.09682": "Theoretical m/z 146.096974, Mass diff 0 (0 ppm), Formula C10H12N", "147.04449": "Theoretical m/z 147.044547, Mass diff 0 (0.38 ppm), SMILES ClC=CCONCCC, Annotation [C6H12ClNO-2H]+, Rule of HR False", "147.06795": "Theoretical m/z 147.068414, Mass diff 0 (0 ppm), Formula C9H9NO", "147.08089": "Theoretical m/z 147.08099, Mass diff 0 (0 ppm), Formula C10H11O", "148.0759": "Theoretical m/z 148.076239, Mass diff 0 (0 ppm), Formula C9H10NO", "149.06003": "Theoretical m/z 149.059701, Mass diff 0 (2.21 ppm), SMILES O=C1C(=CCC)C(=O)CCC1, Annotation [C9H12O2-3H]+, Rule of HR True", "150.09151": "Theoretical m/z 150.091889, Mass diff 0 (0 ppm), Formula C9H12NO", "152.07103": "Theoretical m/z 152.070611, Mass diff 0 (2.75 ppm), SMILES O=C(C(C(=O)C)=C(N)CC)C, Annotation [C8H13NO2-3H]+, Rule of HR True", "161.0601": "Theoretical m/z 161.060197, Mass diff 0 (0.6 ppm), SMILES ClC=CCONC(=C)CC, Annotation [C7H12ClNO]+, Rule of HR False", "161.09631": "Theoretical m/z 161.09664, Mass diff 0 (0 ppm), Formula C11H13O", "162.09196": "Theoretical m/z 162.091889, Mass diff -0.001 (0 ppm), Formula C10H12NO", "163.06331": "Theoretical m/z 163.062786, Mass diff 0.001 (3.21 ppm), SMILES O=C1C(C(=O)CCC1)=C(N)CC, Annotation [C9H13NO2-4H]+, Rule of HR False", "164.07106": "Theoretical m/z 164.070611, Mass diff 0 (2.73 ppm), SMILES O=C1C(C(=O)CCC1)=C(N)CC, Annotation [C9H13NO2-3H]+, Rule of HR True", "164.10716": "Theoretical m/z 164.107539, Mass diff 0 (0 ppm), Formula C10H14NO", "166.08664": "Theoretical m/z 166.086261, Mass diff 0 (2.28 ppm), SMILES O=C1C(C(=O)CCC1)=C(N)CC, Annotation [C9H13NO2-H]+, Rule of HR True", "166.12283": "Theoretical m/z 166.123189, Mass diff 0 (0 ppm), Formula C10H16NO", "167.09418": "Theoretical m/z 167.094086, Mass diff 0 (0.56 ppm), SMILES O=C1C(C(=O)CCC1)=C(N)CC, Annotation [C9H13NO2]+, Rule of HR False", "177.07883": "Theoretical m/z 177.078427, Mass diff 0 (2.28 ppm), SMILES O=C1C(C(=O)CC(C)C1)=C(N)CC, Annotation [C10H15NO2-4H]+, Rule of HR False", "178.12309": "Theoretical m/z 178.123189, Mass diff 0 (0 ppm), Formula C11H16NO", "179.09425": "Theoretical m/z 179.094077, Mass diff 0 (0.97 ppm), SMILES O=C1C(C(=O)CC(C)C1)=C(N)CC, Annotation [C10H15NO2-2H]+, Rule of HR False", "180.10194": "Theoretical m/z 180.101902, Mass diff 0 (0.21 ppm), SMILES O=C1C(C(=O)CC(C)C1)=C(N)CC, Annotation [C10H15NO2-H]+, Rule of HR True", "190.1227": "Theoretical m/z 190.123189, Mass diff 0 (0 ppm), Formula C12H16NO", "192.10233": "Theoretical m/z 192.102454, Mass diff 0 (0 ppm), Formula C11H14NO2", "206.11787": "Theoretical m/z 206.117563, Mass diff 0 (1.49 ppm), SMILES O=C1C(C(=O)CC(C1)CCC)=C(N)CC, Annotation [C12H19NO2-3H]+, Rule of HR True", "208.13387": "Theoretical m/z 208.133213, Mass diff 0.001 (3.16 ppm), SMILES O=C1C(C(=O)CC(C1)CCC)=C(N)CC, Annotation [C12H19NO2-H]+, Rule of HR True", "212.11047": "Theoretical m/z 212.11091, Mass diff 0 (0 ppm), Formula C11H18NOS", "240.10542": "Theoretical m/z 240.105269, Mass diff 0 (0.63 ppm), SMILES O=C(C=C(NO)CC)CCCC(SCC)C, Annotation [C12H23NO2S-5H]+, Rule of HR True"}, "num_peaks": "68", "compound_name": "Clethodim_2", "retention_time": 7.277172, "precursor_mz": 360.1401, "collision_energy": "", "peaks_json": [[89.0422, 98238.0], [91.05464, 171745.0], [93.05774, 38046.0], [93.07027, 136004.0], [94.06543, 101832.0], [95.04953, 227900.0], [95.08585, 40869.0], [96.04461, 221541.0], [98.06032, 529705.0], [103.05467, 131256.0], [105.07019, 127685.0], [106.06545, 53082.0], [107.04936, 136788.0], [107.08593, 34588.0], [108.0446, 65341.0], [108.08108, 867554.0], [109.0651, 107578.0], [110.06044, 125419.0], [111.04435, 54097.0], [111.06822, 33474.0], [114.0916, 70953.0], [117.07031, 92684.0], [118.06553, 57896.0], [119.04944, 77592.0], [119.0857, 101869.0], [120.081, 44118.0], [121.06523, 314215.0], [122.06016, 283363.0], [122.09673, 58647.0], [124.07605, 110151.0], [127.02138, 108658.0], [133.10155, 43604.0], [134.06033, 82368.0], [134.09659, 80374.0], [135.08092, 42793.0], [136.07613, 1946515.0], [136.11234, 44348.0], [137.05997, 112159.0], [138.05539, 37327.0], [138.09154, 107538.0], [146.06033, 140672.0], [146.09682, 35123.0], [147.04449, 448482.0], [147.06795, 32058.0], [147.08089, 54066.0], [148.0759, 90038.0], [149.06003, 660024.0], [150.09151, 33706.0], [152.07103, 119001.0], [161.0601, 46725.0], [161.09631, 40686.0], [162.09196, 88271.0], [163.06331, 31458.0], [164.07106, 2144695.0], [164.10716, 97593.0], [166.08664, 3133889.0], [166.12283, 98337.0], [167.09418, 133413.0], [177.07883, 31343.0], [178.12309, 80524.0], [179.09425, 38320.0], [180.10194, 39682.0], [190.1227, 42958.0], [192.10233, 115116.0], [206.11787, 45529.0], [208.13387, 37258.0], [212.11047, 103531.0], [240.10542, 87328.0]]}, {"scannumber": "1358", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C6H8N5O2ClS", "inchikey": "PGOOBECODWQEAB-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(NN(=O)=O)NCc1cnc(s1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"113.01702": "Theoretical m/z 113.016796, Mass diff 0 (1.98 ppm), SMILES N1=CSC(=C1)CN, Annotation [C4H6N2S-H]+, Rule of HR True", "131.96729": "Theoretical m/z 131.966922, Mass diff 0 (2.79 ppm), SMILES ClC1=NC=C(S1)C, Annotation [C4H4ClNS-H]+, Rule of HR True", "146.97801": "Theoretical m/z 146.977817, Mass diff 0 (1.31 ppm), SMILES ClC1=NC=C(S1)CN, Annotation [C4H5ClN2S-H]+, Rule of HR True", "169.05435": "Theoretical m/z 169.054248, Mass diff 0 (0.6 ppm), SMILES N1=CSC(=C1)CNC(=NC)N, Annotation [C6H10N4S-H]+, Rule of HR True", "174.9729": "Theoretical m/z 174.973286, Mass diff 0 (0 ppm), Formula C5H4ClN2OS", "203.01552": "Theoretical m/z 203.015278, Mass diff 0 (1.19 ppm), SMILES ClC1=NC=C(S1)CNC(=NC)N, Annotation [C6H9ClN4S-H]+, Rule of HR True", "206.01546": "Theoretical m/z 206.015486, Mass diff -0.001 (0 ppm), Formula C6H9ClN3OS", "250.01668": "Theoretical m/z 250.016004, Mass diff 0.001 (2.7 ppm), SMILES O=N(=O)NC(=NC)NCC=1SC(Cl)=NC1, Annotation [C6H8ClN5O2S+H]+, Rule of HR True"}, "num_peaks": "12", "compound_name": "Clothianidin", "retention_time": 2.767634, "precursor_mz": 250.0162, "collision_energy": "", "peaks_json": [[113.01702, 68898.0], [131.96729, 1556136.0], [146.97801, 24619.0], [168.04659, 701063.0], [169.05435, 2394222.0], [172.98125, 33776.0], [174.9729, 46060.0], [203.01552, 30320.0], [204.02304, 121736.0], [206.01546, 199604.0], [220.01871, 34828.0], [250.01668, 782407.0]]}, {"scannumber": "4651", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C13H13N4O2ClS", "inchikey": "YXKMMRDKEKCERS-UHFFFAOYSA-N", "inchi": "", "smiles": "N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"108.01175": "Theoretical m/z 108.011379, Mass diff 0 (3.44 ppm), SMILES O=S(=O)N(C)C, Annotation [C2H7NO2S-H]+, Rule of HR True", "216.03249": "Theoretical m/z 216.032306, Mass diff 0 (0.85 ppm), SMILES N#CC1=NC(Cl)=C(N1)C=2C=CC(=CC2)C, Annotation [C11H8ClN3-H]+, Rule of HR True", "218.0482": "Theoretical m/z 218.047956, Mass diff 0 (1.12 ppm), SMILES N#CC1=NC(Cl)=C(N1)C=2C=CC(=CC2)C, Annotation [C11H8ClN3+H]+, Rule of HR True", "225.11369": "Theoretical m/z 225.114021, Mass diff 0 (0 ppm), Formula C13H13N4", "233.06017": "Theoretical m/z 233.059399, Mass diff -0.001 (0 ppm), Formula C11H10ClN4", "251.07034": "Theoretical m/z 251.069964, Mass diff -0.001 (0 ppm), Formula C11H12ClN4O", "261.09036": "Theoretical m/z 261.090699, Mass diff 0 (0 ppm), Formula C13H14ClN4", "325.052": "Theoretical m/z 325.052046, Mass diff 0 (0.14 ppm), SMILES N#CC1=NC(Cl)=C(C=2C=CC(=CC2)C)N1S(=O)(=O)N(C)C, Annotation [C13H13ClN4O2S+H]+, Rule of HR True"}, "num_peaks": "14", "compound_name": "Cyazofamid", "retention_time": 6.824718, "precursor_mz": 325.0526, "collision_energy": "", "peaks_json": [[108.01175, 7160721.0], [216.03249, 215458.0], [217.0407, 634975.0], [218.0482, 106134.0], [225.11369, 156877.0], [226.12143, 91884.0], [233.06017, 429313.0], [251.07034, 448093.0], [251.10664, 310661.0], [261.09036, 1553497.0], [279.10236, 522333.0], [325.052, 1817226.0], [325.14325, 121241.0], [325.23611, 85648.0]]}, {"scannumber": "2873", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C13H9N4OCl2F3S", "inchikey": "FNELVJVBIYMIMC-UHFFFAOYSA-N", "inchi": "", "smiles": "N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"212.94865": "Theoretical m/z 212.948017, Mass diff 0.001 (2.97 ppm), SMILES FC(F)(F)C=1C=C(Cl)C=C(Cl)C1, Annotation [C7H3Cl2F3-H]+, Rule of HR True", "227.9595": "Theoretical m/z 227.958912, Mass diff 0.001 (2.58 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(N)C(Cl)=C1, Annotation [C7H4Cl2F3N-H]+, Rule of HR True", "240.95441": "Theoretical m/z 240.954172, Mass diff 0 (0.99 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(NN)C(Cl)=C1, Annotation [C7H5Cl2F3N2-3H]+, Rule of HR True", "254.9706": "Theoretical m/z 254.969812, Mass diff 0.001 (3.09 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(NCN)C(Cl)=C1, Annotation [C8H7Cl2F3N2-3H]+, Rule of HR True", "263.97287": "Theoretical m/z 263.973142, Mass diff 0 (0 ppm), Formula C11H4Cl2N3O", "271.93167": "Theoretical m/z 271.931535, Mass diff -0.001 (0 ppm), Formula C8H3Cl2F3NS", "288.95517": "Theoretical m/z 288.954162, Mass diff 0.001 (3.49 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(C(Cl)=C1)N2N=C(C=C2)C, Annotation [C11H7Cl2F3N2-5H]+, Rule of HR True", "288.96835": "Theoretical m/z 288.968391, Mass diff -0.001 (0 ppm), Formula C12H3Cl2N4O", "323.93817": "Theoretical m/z 323.937683, Mass diff -0.001 (0 ppm), Formula C10H3Cl2F3N3S", "350.94952": "Theoretical m/z 350.949363, Mass diff 0 (0.45 ppm), SMILES O=S(C(=CNC1=C(Cl)C=C(C=C1Cl)C(F)(F)F)CC)CC, Annotation [C13H14Cl2F3NOS-8H]+, Rule of HR False"}, "num_peaks": "11", "compound_name": "Ethiprole", "retention_time": 5.828761, "precursor_mz": 396.991, "collision_energy": "", "peaks_json": [[212.94865, 522963.0], [227.9595, 466048.0], [240.95441, 720208.0], [254.9706, 13822754.0], [263.97287, 158454.0], [271.93167, 238242.0], [288.95517, 162603.0], [288.96835, 478467.0], [315.97946, 548987.0], [323.93817, 233169.0], [350.94952, 1933706.0]]}, {"scannumber": "3176", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C13H18O5S", "inchikey": "IRCMYGHHKLLGHV-GFCCVEGCSA-N", "inchi": "", "smiles": "CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"121.06523": "Theoretical m/z 121.06534, Mass diff 0 (0 ppm), Formula C8H9O", "149.09618": "Theoretical m/z 149.096098, Mass diff 0 (0.55 ppm), SMILES O1C=2C=CC=CC2C(C)(C)C1, Annotation [C10H12O+H]+, Rule of HR True", "161.0601": "Theoretical m/z 161.059701, Mass diff 0 (2.48 ppm), SMILES OC1=CC=C2OCC(C2=C1)(C)C, Annotation [C10H12O2-3H]+, Rule of HR True", "162.0676": "Theoretical m/z 162.067526, Mass diff 0 (0.45 ppm), SMILES OC1=CC=C2OCC(C2=C1)(C)C, Annotation [C10H12O2-2H]+, Rule of HR False", "163.07561": "Theoretical m/z 163.075351, Mass diff 0 (1.59 ppm), SMILES OC1=CC=C2OCC(C2=C1)(C)C, Annotation [C10H12O2-H]+, Rule of HR True", "179.07047": "Theoretical m/z 179.07027, Mass diff 0 (1.12 ppm), SMILES OC1=CC=C2OC(O)C(C2=C1)(C)C, Annotation [C10H12O3-H]+, Rule of HR True", "241.05281": "Theoretical m/z 241.052906, Mass diff 0 (0.4 ppm), SMILES O=S(=O)(OC1=CC=C2OCC(C2=C1)(C)C)C, Annotation [C11H14O4S-H]+, Rule of HR True", "259.06424": "Theoretical m/z 259.063459, Mass diff 0.001 (3.01 ppm), SMILES O=S(=O)(OC1=CC=C2OC(O)C(C2=C1)(C)C)C, Annotation [C11H14O5S+H]+, Rule of HR True", "287.09497": "Theoretical m/z 287.09477, Mass diff 0 (0.7 ppm), SMILES O=S(=O)(OC1=CC=C2OC(OCC)C(C2=C1)(C)C)C, Annotation [C13H18O5S+H]+, Rule of HR True"}, "num_peaks": "10", "compound_name": "Ethofumesate", "retention_time": 6.01901, "precursor_mz": 287.0957, "collision_energy": "", "peaks_json": [[121.06523, 2086509.0], [149.09618, 158152.0], [161.0601, 278315.0], [162.0676, 51729.0], [163.07561, 321436.0], [179.07047, 102226.0], [241.05281, 803837.0], [259.06424, 3450423.0], [277.07498, 105295.0], [287.09497, 1000737.0]]}, {"scannumber": "4022", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H17N3OS", "inchikey": "LMVPQMGRYSRMIW-KRWDZBQOSA-N", "inchi": "", "smiles": "CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "103.05439": "Theoretical m/z 103.054223, Mass diff 0 (1.62 ppm), SMILES C=1C=CC(=CC1)CC, Annotation [C8H10-3H]+, Rule of HR True", "104.04984": "Theoretical m/z 104.049478, Mass diff 0 (3.48 ppm), SMILES NCC=1C=CC=CC1, Annotation [C7H9N-3H]+, Rule of HR True", "118.05279": "Theoretical m/z 118.052548, Mass diff 0 (2.05 ppm), SMILES C=1C=CC(=CC1)NNC, Annotation [C7H10N2-4H]+, Rule of HR False", "120.081": "Theoretical m/z 120.080776, Mass diff 0 (1.87 ppm), SMILES NC(C=1C=CC=CC1)C, Annotation [C8H11N-H]+, Rule of HR True", "124.07605": "Theoretical m/z 124.076239, Mass diff 0 (0 ppm), Formula C7H10NO", "133.07642": "Theoretical m/z 133.076573, Mass diff 0 (0 ppm), Formula C8H9N2", "134.07159": "Theoretical m/z 134.071277, Mass diff 0 (2.33 ppm), SMILES N=CNNC=1C=CC=CC1, Annotation [C7H9N3-H]+, Rule of HR True", "158.07153": "Theoretical m/z 158.071822, Mass diff 0 (0 ppm), Formula C9H8N3", "161.07108": "Theoretical m/z 161.070932, Mass diff 0 (0.92 ppm), SMILES O=C(NN)C(C=1C=CC=CC1)C, Annotation [C9H12N2O-3H]+, Rule of HR True", "165.04834": "Theoretical m/z 165.048089, Mass diff 0 (1.52 ppm), SMILES S(C)CNNC=1C=CC=CC1, Annotation [C8H12N2S-3H]+, Rule of HR True", "170.09679": "Theoretical m/z 170.096974, Mass diff 0 (0 ppm), Formula C12H12N", "194.09637": "Theoretical m/z 194.096974, Mass diff 0 (0 ppm), Formula C14H12N", "195.09152": "Theoretical m/z 195.092223, Mass diff 0 (0 ppm), Formula C13H11N2", "211.12321": "Theoretical m/z 211.123523, Mass diff 0 (0 ppm), Formula C14H15N2", "219.09235": "Theoretical m/z 219.092223, Mass diff -0.001 (0 ppm), Formula C15H11N2", "236.11884": "Theoretical m/z 236.118219, Mass diff 0.001 (2.63 ppm), SMILES N(=CNNC=1C=CC=CC1)C(C=2C=CC=CC2)C, Annotation [C15H17N3-3H]+, Rule of HR True", "237.04855": "Theoretical m/z 237.048644, Mass diff 0 (0 ppm), Formula C14H9N2S"}, "num_peaks": "23", "compound_name": "Fenamidone", "retention_time": 6.626915, "precursor_mz": 312.1172, "collision_energy": "", "peaks_json": [[92.0498, 32114948.0], [103.05439, 9639649.0], [104.04984, 654872.0], [118.05279, 339058.0], [120.081, 4707760.0], [124.07605, 564026.0], [133.06364, 333596.0], [133.07642, 2035568.0], [134.07159, 10042268.0], [150.02492, 4123380.0], [158.07153, 1565433.0], [161.07108, 557286.0], [165.04834, 2679578.0], [170.09679, 350930.0], [194.09637, 1767185.0], [195.09152, 465030.0], [206.08372, 504328.0], [207.06779, 429040.0], [211.12321, 535099.0], [219.09235, 850480.0], [221.0947, 1138537.0], [236.11884, 5452674.0], [237.04855, 688489.0]]}, {"scannumber": "3428", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H4N4OCl2F6S", "inchikey": "ZOCSXAVNDGMNBV-UHFFFAOYSA-N", "inchi": "", "smiles": "N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.96982": "Theoretical m/z 85.969512, Mass diff 0 (3.58 ppm), SMILES O=SC=CN, Annotation [C2H5NOS-5H]+, Rule of HR True", "139.99144": "Theoretical m/z 139.991306, Mass diff 0 (0.96 ppm), SMILES N#CC1=NNC=C1S=O, Annotation [C4H3N3OS-H]+, Rule of HR True", "212.94781": "Theoretical m/z 212.948017, Mass diff 0 (0.97 ppm), SMILES FC(F)(F)C=1C=C(Cl)C=C(Cl)C1, Annotation [C7H3Cl2F3-H]+, Rule of HR True", "221.00912": "Theoretical m/z 221.008783, Mass diff 0 (1.53 ppm), SMILES FC(F)(F)C1=CC=C(NCN)C(Cl)=C1, Annotation [C8H8ClF3N2-3H]+, Rule of HR True", "227.95949": "Theoretical m/z 227.958912, Mass diff 0.001 (2.54 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(N)C(Cl)=C1, Annotation [C7H4Cl2F3N-H]+, Rule of HR True", "228.96689": "Theoretical m/z 228.966737, Mass diff 0 (0.67 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(N)C(Cl)=C1, Annotation [C7H4Cl2F3N]+, Rule of HR False", "229.97443": "Theoretical m/z 229.974562, Mass diff 0 (0.57 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(N)C(Cl)=C1, Annotation [C7H4Cl2F3N+H]+, Rule of HR True", "238.95135": "Theoretical m/z 238.951092, Mass diff 0 (1.08 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(NC)C(Cl)=C1, Annotation [C8H6Cl2F3N-4H]+, Rule of HR False", "239.95872": "Theoretical m/z 239.958917, Mass diff 0 (0.82 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(NC)C(Cl)=C1, Annotation [C8H6Cl2F3N-3H]+, Rule of HR True", "240.95441": "Theoretical m/z 240.954172, Mass diff 0 (0.99 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(NN)C(Cl)=C1, Annotation [C7H5Cl2F3N2-3H]+, Rule of HR True", "246.00426": "Theoretical m/z 246.004032, Mass diff 0 (0.93 ppm), SMILES N#CC=NNC1=CC=C(C=C1Cl)C(F)(F)F, Annotation [C9H5ClF3N3-H]+, Rule of HR True", "246.98785": "Theoretical m/z 246.9886, Mass diff 0 (0 ppm), Formula C9H3ClF3N2O", "249.00337": "Theoretical m/z 249.00425, Mass diff 0 (0 ppm), Formula C9H5ClF3N2O", "252.98164": "Theoretical m/z 252.981406, Mass diff -0.001 (0 ppm), Formula C8H5ClF3N2S", "253.96179": "Theoretical m/z 253.961987, Mass diff 0 (0.77 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(NCN)C(Cl)=C1, Annotation [C8H7Cl2F3N2-4H]+, Rule of HR False", "254.96948": "Theoretical m/z 254.969812, Mass diff 0 (1.3 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(NCN)C(Cl)=C1, Annotation [C8H7Cl2F3N2-3H]+, Rule of HR True", "255.97771": "Theoretical m/z 255.977637, Mass diff 0 (0.29 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(NCN)C(Cl)=C1, Annotation [C8H7Cl2F3N2-2H]+, Rule of HR False", "256.92007": "Theoretical m/z 256.920636, Mass diff 0 (0 ppm), Formula C8H2Cl2F3S", "257.96988": "Theoretical m/z 257.970427, Mass diff 0 (0 ppm), Formula C9H3ClF2N3S", "258.00436": "Theoretical m/z 258.004022, Mass diff 0 (1.31 ppm), SMILES N#CC=NN(C1=CC=C(C=C1Cl)C(F)(F)F)C, Annotation [C10H7ClF3N3-3H]+, Rule of HR True", "262.96518": "Theoretical m/z 262.965756, Mass diff 0 (0 ppm), Formula C9H3ClF3N2S", "263.94986": "Theoretical m/z 263.949772, Mass diff -0.001 (0 ppm), Formula C9H2ClF3NOS", "264.95398": "Theoretical m/z 264.954162, Mass diff 0 (0.69 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(C(Cl)=C1)N(N)C=C, Annotation [C9H7Cl2F3N2-5H]+, Rule of HR True", "265.00839": "Theoretical m/z 265.008809, Mass diff 0 (0 ppm), Formula C11H3F6O", "266.97012": "Theoretical m/z 266.969812, Mass diff 0 (1.15 ppm), SMILES FC(F)(F)C1=CC(Cl)=C(C(Cl)=C1)N(N)C=C, Annotation [C9H7Cl2F3N2-3H]+, Rule of HR True", "270.00439": "Theoretical m/z 270.004047, Mass diff 0 (1.27 ppm), SMILES N#CC1=NN(C=C1)C2=CC=C(C=C2Cl)C(F)(F)F, Annotation [C11H5ClF3N3-H]+, Rule of HR True", "270.92358": "Theoretical m/z 270.924653, Mass diff 0.001 (0 ppm), Formula H2Cl2F5N4OS", "280.97632": "Theoretical m/z 280.976321, Mass diff -0.001 (0 ppm), Formula C9H5ClF3N2OS", "281.98138": "Theoretical m/z 281.980726, Mass diff 0.001 (2.32 ppm), SMILES N#CC=NNC1=C(Cl)C=C(C=C1Cl)C(F)(F)F, Annotation [C9H4Cl2F3N3+H]+, Rule of HR True", "285.01489": "Theoretical m/z 285.014942, Mass diff 0 (0.18 ppm), SMILES N#CC1=NN(C(N)=C1)C2=CC=C(C=C2Cl)C(F)(F)F, Annotation [C11H6ClF3N4-H]+, Rule of HR True", "287.96118": "Theoretical m/z 287.962148, Mass diff 0 (0 ppm), Formula C7H3ClF4N3OS", "289.97687": "Theoretical m/z 289.977798, Mass diff 0 (0 ppm), Formula C7H5ClF4N3OS", "305.97165": "Theoretical m/z 305.97157, Mass diff -0.001 (0 ppm), Formula C10H4ClF3N3OS", "314.97189": "Theoretical m/z 314.971904, Mass diff -0.001 (0 ppm), Formula C11H3ClF3N4S", "332.98279": "Theoretical m/z 332.981922, Mass diff 0.001 (2.61 ppm), SMILES N#CC1=NN(C(N)=C1S=O)C2=CC=C(C=C2Cl)C(F)(F)F, Annotation [C11H6ClF3N4OS-H]+, Rule of HR True", "341.94772": "Theoretical m/z 341.947712, Mass diff 0 (0.02 ppm), SMILES O=SC=1C=NN(C1N)C2=C(Cl)C=C(C=C2Cl)C(F)(F)F, Annotation [C10H6Cl2F3N3OS-H]+, Rule of HR True", "350.94775": "Theoretical m/z 350.948047, Mass diff 0 (0.85 ppm), SMILES N#CC1=NN(C(N)=C1S)C2=C(Cl)C=C(C=C2Cl)C(F)(F)F, Annotation [C11H5Cl2F3N4S-H]+, Rule of HR True"}, "num_peaks": "44", "compound_name": "Fipronil", "retention_time": 6.367518, "precursor_mz": 436.9474, "collision_energy": "", "peaks_json": [[85.96982, 4313.0], [113.00444, 3712.0], [113.98832, 5133.0], [139.99144, 7362.0], [212.94781, 4882.0], [221.00912, 225249.0], [227.95949, 26131.0], [228.96689, 57334.0], [229.97443, 5477.0], [238.95135, 20431.0], [239.95872, 31698.0], [240.95441, 5173.0], [246.00426, 38514.0], [246.98785, 4361.0], [249.00337, 20177.0], [252.98164, 49955.0], [253.96179, 34002.0], [254.96948, 369569.0], [255.97771, 5120.0], [256.92007, 8581.0], [257.96988, 6310.0], [258.00436, 15884.0], [262.96518, 141114.0], [263.94986, 4319.0], [264.95398, 10810.0], [265.00839, 13074.0], [266.97012, 5374.0], [270.00439, 13928.0], [270.92358, 71148.0], [277.9621, 52537.0], [280.97632, 110429.0], [281.98138, 13157.0], [284.00772, 9139.0], [285.01489, 32296.0], [287.96118, 3855.0], [289.97687, 181252.0], [305.97165, 38958.0], [314.97189, 30271.0], [315.97946, 17897.0], [319.98468, 18911.0], [332.98279, 23894.0], [341.94772, 7327.0], [350.94775, 6206.0], [367.95102, 6446.0]]}, {"scannumber": "3663", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H13N3O2F4S", "inchikey": "IANUJLZYFUDJIH-UHFFFAOYSA-N", "inchi": "", "smiles": "Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"124.05603": "Theoretical m/z 124.056252, Mass diff 0 (0 ppm), Formula C7H7FN", "152.0509": "Theoretical m/z 152.050617, Mass diff 0 (1.86 ppm), SMILES O=C(NC1=CC=C(F)C=C1)C, Annotation [C8H8FNO-H]+, Rule of HR True", "152.08713": "Theoretical m/z 152.087009, Mass diff 0 (0.8 ppm), SMILES FC1=CC=C(C=C1)NC(C)C, Annotation [C9H12FN-H]+, Rule of HR True", "194.09782": "Theoretical m/z 194.097568, Mass diff 0 (1.3 ppm), SMILES O=C(N(C1=CC=C(F)C=C1)C(C)C)C, Annotation [C11H14FNO-H]+, Rule of HR True", "364.07422": "Theoretical m/z 364.073744, Mass diff 0 (1.31 ppm), SMILES O=C(N(C1=CC=C(F)C=C1)C(C)C)COC2=NN=C(S2)C(F)(F)F, Annotation [C14H13F4N3O2S+H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Flufenacet", "retention_time": 6.476889, "precursor_mz": 364.0744, "collision_energy": "", "peaks_json": [[124.05603, 201655.0], [152.0509, 5487354.0], [152.08713, 528888.0], [194.09782, 19271964.0], [364.07422, 2107439.0]]}, {"scannumber": "7986", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H21N2O2ClS", "inchikey": "XGWIJUOSCAQSSV-XHDPSFHLSA-N", "inchi": "", "smiles": "CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"115.0543": "Theoretical m/z 115.054229, Mass diff 0 (0.62 ppm), SMILES C=1C=CC(=CC1)CCC, Annotation [C9H12-5H]+, Rule of HR True", "116.06212": "Theoretical m/z 116.062054, Mass diff 0 (0.57 ppm), SMILES C=1C=CC(=CC1)CCC, Annotation [C9H12-4H]+, Rule of HR False", "117.05739": "Theoretical m/z 117.057849, Mass diff 0 (0 ppm), Formula C8H7N", "125.01533": "Theoretical m/z 125.015255, Mass diff 0 (0.6 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True", "132.08089": "Theoretical m/z 132.081324, Mass diff 0 (0 ppm), Formula C9H10N", "133.06488": "Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O", "133.08878": "Theoretical m/z 133.089149, Mass diff 0 (0 ppm), Formula C9H11N", "140.04968": "Theoretical m/z 140.050024, Mass diff 0 (0 ppm), Formula C10H6N", "141.05769": "Theoretical m/z 141.057849, Mass diff 0 (0 ppm), Formula C10H7N", "143.06068": "Theoretical m/z 143.060923, Mass diff 0 (0 ppm), Formula C9H7N2", "151.03107": "Theoretical m/z 151.030908, Mass diff 0 (1.07 ppm), SMILES ClC1=CC=C(C=C1)CCC, Annotation [C9H11Cl-3H]+, Rule of HR True", "153.03435": "Theoretical m/z 153.03404, Mass diff -0.001 (0 ppm), Formula C11H5O", "159.06828": "Theoretical m/z 159.068414, Mass diff 0 (0 ppm), Formula C10H9NO", "168.05769": "Theoretical m/z 168.057453, Mass diff 0 (1.41 ppm), SMILES ClC1=CC=C(C=C1)CC(N)C, Annotation [C9H12ClN-H]+, Rule of HR True", "176.02615": "Theoretical m/z 176.026158, Mass diff 0 (0.05 ppm), SMILES ClC1=CC=C(C=C1)CC(NC)C, Annotation [C10H14ClN-7H]+, Rule of HR True", "194.03688": "Theoretical m/z 194.036722, Mass diff 0 (0.82 ppm), SMILES O=CNC(C)CC1=CC=C(Cl)C=C1, Annotation [C10H12ClNO-3H]+, Rule of HR True", "210.01369": "Theoretical m/z 210.013869, Mass diff 0 (0.85 ppm), SMILES ClC1=CC=C(C=C1)C(S)C(NC)C, Annotation [C10H14ClNS-5H]+, Rule of HR True", "228.02509": "Theoretical m/z 228.024443, Mass diff 0.001 (2.84 ppm), SMILES O=C1SC(C2=CC=C(Cl)C=C2)C(N1)C, Annotation [C10H10ClNOS+H]+, Rule of HR True"}, "num_peaks": "18", "compound_name": "Hexythiazox", "retention_time": 7.46046, "precursor_mz": 353.1096, "collision_energy": "", "peaks_json": [[115.0543, 1419536.0], [116.06212, 1728574.0], [117.05739, 141175.0], [125.01533, 77703.0], [132.08089, 464129.0], [133.06488, 142255.0], [133.08878, 1059309.0], [140.04968, 116606.0], [141.05769, 118308.0], [143.06068, 285902.0], [151.03107, 3098662.0], [153.03435, 252766.0], [159.06828, 444319.0], [168.05769, 6763262.0], [176.02615, 779438.0], [194.03688, 1165217.0], [210.01369, 101590.0], [228.02509, 203533.0]]}, {"scannumber": "6090", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C16H14N2O2S", "inchikey": "XIGAUIHYSDTJHW-UHFFFAOYSA-N", "inchi": "", "smiles": "O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05441": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "93.07003": "Theoretical m/z 93.070425, Mass diff 0 (0 ppm), Formula C7H9", "95.04928": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "103.05439": "Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7", "105.05748": "Theoretical m/z 105.057303, Mass diff 0 (1.69 ppm), SMILES C=1C=CC(=CC1)NC, Annotation [C7H9N-2H]+, Rule of HR False", "118.06553": "Theoretical m/z 118.065674, Mass diff 0 (0 ppm), Formula C8H8N", "120.081": "Theoretical m/z 120.081324, Mass diff 0 (0 ppm), Formula C8H10N", "136.02161": "Theoretical m/z 136.021543, Mass diff 0 (0.49 ppm), SMILES N1=CSC=2C=CC=CC12, Annotation [C7H5NS+H]+, Rule of HR True", "148.0759": "Theoretical m/z 148.075687, Mass diff 0 (1.44 ppm), SMILES O=C(N(C=1C=CC=CC1)C)C, Annotation [C9H11NO-H]+, Rule of HR True", "152.01669": "Theoretical m/z 152.016462, Mass diff 0 (1.5 ppm), SMILES OC1=NC=2C=CC=CC2S1, Annotation [C7H5NOS+H]+, Rule of HR True"}, "num_peaks": "10", "compound_name": "Mefenacet", "retention_time": 7.143147, "precursor_mz": 299.0857, "collision_energy": "", "peaks_json": [[91.05441, 4904942.0], [93.07003, 396728.0], [95.04928, 309109.0], [103.05439, 240325.0], [105.05748, 315163.0], [118.06553, 748880.0], [120.081, 20302168.0], [136.02161, 2145909.0], [148.0759, 2833957.0], [152.01669, 272045.0]]}, {"scannumber": "1880", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H13NO7S", "inchikey": "KPUREKXXPHOJQT-UHFFFAOYSA-N", "inchi": "", "smiles": "O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.0498": "Theoretical m/z 92.050024, Mass diff 0 (0 ppm), Formula C6H6N", "94.02896": "Theoretical m/z 94.029289, Mass diff 0 (0 ppm), Formula C5H4NO", "95.01298": "Theoretical m/z 95.012755, Mass diff 0 (2.36 ppm), SMILES O=CCC(=O)CC, Annotation [C5H8O2-5H]+, Rule of HR True", "104.01339": "Theoretical m/z 104.013639, Mass diff 0 (0 ppm), Formula C6H2NO", "107.0131": "Theoretical m/z 107.013304, Mass diff 0 (0 ppm), Formula C6H3O2", "108.02079": "Theoretical m/z 108.020578, Mass diff 0 (1.96 ppm), SMILES O=CCC(=O)CCC, Annotation [C6H10O2-6H]+, Rule of HR False", "111.04435": "Theoretical m/z 111.044056, Mass diff 0 (2.65 ppm), SMILES O=C1CC(=O)CCC1, Annotation [C6H8O2-H]+, Rule of HR True", "119.01284": "Theoretical m/z 119.013304, Mass diff 0 (0 ppm), Formula C7H3O2", "122.02398": "Theoretical m/z 122.023655, Mass diff 0 (2.67 ppm), SMILES O=N(=O)C=1C=CC=CC1, Annotation [C6H5NO2-H]+, Rule of HR True", "136.03949": "Theoretical m/z 136.039853, Mass diff 0 (0 ppm), Formula C7H6NO2", "154.97983": "Theoretical m/z 154.98029, Mass diff 0 (0 ppm), Formula C6H3O3S", "166.0137": "Theoretical m/z 166.014033, Mass diff 0 (0 ppm), Formula C7H4NO4", "170.00336": "Theoretical m/z 170.003074, Mass diff -0.001 (0 ppm), Formula C13N", "182.0032": "Theoretical m/z 182.003211, Mass diff 0 (0.06 ppm), SMILES O=CC1=CC=C(C=C1)S(=O)(=O)C, Annotation [C8H8O3S-2H]+, Rule of HR False", "214.06305": "Theoretical m/z 214.062445, Mass diff 0.001 (2.83 ppm), SMILES O=C(C=1C=CC=CC1)C2C(=O)CCCC2=O, Annotation [C13H12O3-2H]+, Rule of HR False", "216.00862": "Theoretical m/z 216.008553, Mass diff -0.001 (0 ppm), Formula C14H2NO2", "227.99644": "Theoretical m/z 227.996128, Mass diff 0 (1.37 ppm), SMILES O=CC1=CC=C(C=C1N(=O)=O)S(=O)(=O)C, Annotation [C8H7NO5S-H]+, Rule of HR True", "260.02258": "Theoretical m/z 260.022883, Mass diff 0 (0 ppm), Formula C9H10NO6S", "275.03772": "Theoretical m/z 275.037805, Mass diff 0 (0 ppm), Formula C14H11O4S", "293.04776": "Theoretical m/z 293.047809, Mass diff 0 (0.17 ppm), SMILES O=C(C1=CC=C(C=C1)S(=O)(=O)C)C2C(=O)CCCC2=O, Annotation [C14H14O5S-H]+, Rule of HR True"}, "num_peaks": "21", "compound_name": "Mesotrione", "retention_time": 4.438974, "precursor_mz": 340.0492, "collision_energy": "", "peaks_json": [[92.0498, 20384.0], [94.02896, 22521.0], [95.01298, 42541.0], [104.01339, 1414098.0], [107.0131, 68271.0], [108.02079, 22960.0], [111.04435, 27776.0], [119.01284, 29585.0], [122.02398, 38301.0], [136.03949, 15704.0], [154.97983, 175640.0], [166.0137, 179306.0], [170.00336, 47194.0], [182.0032, 34021.0], [214.06305, 78325.0], [216.00862, 81842.0], [227.99644, 875193.0], [260.02258, 25724.0], [275.03772, 37760.0], [293.04776, 19676.0], [294.05606, 18376.0]]}, {"scannumber": "2365", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H21N5OS", "inchikey": "DDUIUBPJPOKOMV-UHFFFAOYSA-N", "inchi": "", "smiles": "COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.03273": "Theoretical m/z 91.032446, Mass diff 0 (3.12 ppm), SMILES N=C(SC)N, Annotation [C2H6N2S+H]+, Rule of HR True", "103.03277": "Theoretical m/z 103.032446, Mass diff 0 (3.15 ppm), SMILES N=CN=CSC, Annotation [C3H6N2S+H]+, Rule of HR True", "108.05575": "Theoretical m/z 108.055625, Mass diff 0 (1.16 ppm), SMILES N=CNC=NC(C)C, Annotation [C5H11N3-5H]+, Rule of HR True", "116.0279": "Theoretical m/z 116.027691, Mass diff 0 (1.81 ppm), SMILES N=C(N=CSC)N, Annotation [C3H7N3S-H]+, Rule of HR True", "125.0825": "Theoretical m/z 125.082177, Mass diff 0 (2.58 ppm), SMILES N=CNC(=NC(C)C)N, Annotation [C5H12N4-3H]+, Rule of HR True", "150.07768": "Theoretical m/z 150.077417, Mass diff 0 (1.75 ppm), SMILES N=C1N=CNC(=NC(C)C)N1, Annotation [C6H11N5-3H]+, Rule of HR True", "152.09319": "Theoretical m/z 152.093067, Mass diff 0 (0.81 ppm), SMILES N=C1N=CNC(=NC(C)C)N1, Annotation [C6H11N5-H]+, Rule of HR True", "156.03424": "Theoretical m/z 156.033847, Mass diff 0 (2.52 ppm), SMILES N=C1N=C(SC)NC(=N)N1, Annotation [C4H7N5S-H]+, Rule of HR True", "156.05936": "Theoretical m/z 156.058999, Mass diff 0 (2.31 ppm), SMILES N=C(SC)NC=NC(C)C, Annotation [C6H13N3S-3H]+, Rule of HR True", "158.04967": "Theoretical m/z 158.049498, Mass diff 0 (1.09 ppm), SMILES N=C1N=C(SC)NC(=N)N1, Annotation [C4H7N5S+H]+, Rule of HR True", "170.04977": "Theoretical m/z 170.049488, Mass diff 0 (1.66 ppm), SMILES N=C1NC(N=C(SC)N1)=NC, Annotation [C5H9N5S-H]+, Rule of HR True", "198.08067": "Theoretical m/z 198.080783, Mass diff 0 (0.57 ppm), SMILES N=C1N=C(SC)NC(=NC(C)C)N1, Annotation [C7H13N5S-H]+, Rule of HR True", "212.09639": "Theoretical m/z 212.096439, Mass diff 0 (0.23 ppm), SMILES N=1C(=NC)NC(=NC(C)C)NC1SC, Annotation [C8H15N5S-H]+, Rule of HR True", "230.10741": "Theoretical m/z 230.107008, Mass diff 0 (1.75 ppm), SMILES N=C1NC(N=C(SC)N1)=NCCCOC, Annotation [C8H15N5OS+H]+, Rule of HR True", "240.1284": "Theoretical m/z 240.127735, Mass diff 0.001 (2.77 ppm), SMILES N=1C(=NCCC)NC(=NC(C)C)NC1SC, Annotation [C10H19N5S-H]+, Rule of HR True"}, "num_peaks": "15", "compound_name": "Methoprotryne", "retention_time": 4.953537, "precursor_mz": 272.1545, "collision_energy": "", "peaks_json": [[91.03273, 1224280.0], [103.03277, 469421.0], [108.05575, 1098439.0], [116.0279, 2387399.0], [125.0825, 7238442.0], [150.07768, 1073510.0], [152.09319, 544524.0], [156.03424, 386143.0], [156.05936, 523005.0], [158.04967, 579874.0], [170.04977, 30639952.0], [198.08067, 12326767.0], [212.09639, 2176296.0], [230.10741, 452827.0], [240.1284, 1276547.0]]}, {"scannumber": "1932", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C8H14N4OS", "inchikey": "FOXFZRUHNHCZPX-UHFFFAOYSA-N", "inchi": "", "smiles": "CSc1nnc(c(=O)n1N)C(C)(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.08886": "Theoretical m/z 85.088601, Mass diff 0 (3.05 ppm), SMILES N=CC(C)(C)C, Annotation [C5H11N]+, Rule of HR False", "87.00137": "Theoretical m/z 87.001146, Mass diff 0 (2.58 ppm), SMILES N=C(SC)N, Annotation [C2H6N2S-3H]+, Rule of HR True", "89.01718": "Theoretical m/z 89.016796, Mass diff 0 (4.32 ppm), SMILES N=C(SC)N, Annotation [C2H6N2S-H]+, Rule of HR True", "95.06072": "Theoretical m/z 95.060923, Mass diff 0 (0 ppm), Formula C5H7N2", "96.04461": "Theoretical m/z 96.044389, Mass diff 0 (2.3 ppm), SMILES O=CC(=N)C(C)C, Annotation [C5H9NO-3H]+, Rule of HR True", "97.06514": "Theoretical m/z 97.06479, Mass diff 0 (3.6 ppm), SMILES O=CCC(C)(C)C, Annotation [C6H12O-3H]+, Rule of HR True", "99.09205": "Theoretical m/z 99.091671, Mass diff 0 (3.83 ppm), SMILES N(N)=CC(C)(C)C, Annotation [C5H12N2-H]+, Rule of HR True", "104.02791": "Theoretical m/z 104.027691, Mass diff 0 (2.11 ppm), SMILES N=C(SC)NN, Annotation [C2H7N3S-H]+, Rule of HR True", "109.07641": "Theoretical m/z 109.076021, Mass diff 0 (3.57 ppm), SMILES N(N=CC(C)(C)C)=C, Annotation [C6H12N2-3H]+, Rule of HR True", "110.06014": "Theoretical m/z 110.060037, Mass diff 0 (0.94 ppm), SMILES O=CC(=N)C(C)(C)C, Annotation [C6H11NO-3H]+, Rule of HR True", "114.03733": "Theoretical m/z 114.037745, Mass diff 0 (0 ppm), Formula C5H8NS", "114.99636": "Theoretical m/z 114.996057, Mass diff 0 (2.64 ppm), SMILES O=CNC(=N)SC, Annotation [C3H6N2OS-3H]+, Rule of HR True", "117.01186": "Theoretical m/z 117.011707, Mass diff 0 (1.31 ppm), SMILES O=CNC(=N)SC, Annotation [C3H6N2OS-H]+, Rule of HR True", "123.05569": "Theoretical m/z 123.055282, Mass diff 0 (3.32 ppm), SMILES O=C(N)C(=N)C(C)(C)C, Annotation [C6H12N2O-5H]+, Rule of HR True", "124.08718": "Theoretical m/z 124.087472, Mass diff 0 (0 ppm), Formula C6H10N3", "125.07124": "Theoretical m/z 125.070932, Mass diff 0 (2.46 ppm), SMILES O=C(N)C(=N)C(C)(C)C, Annotation [C6H12N2O-3H]+, Rule of HR True", "125.0825": "Theoretical m/z 125.082721, Mass diff 0 (0 ppm), Formula C5H9N4", "126.10277": "Theoretical m/z 126.103122, Mass diff 0 (0 ppm), Formula C6H12N3", "131.03888": "Theoretical m/z 131.038593, Mass diff 0 (2.19 ppm), SMILES N(N=C(SC)NN)=C, Annotation [C3H8N4S-H]+, Rule of HR True", "139.03265": "Theoretical m/z 139.032439, Mass diff 0 (1.52 ppm), SMILES SC=NN=CC(C)(C)C, Annotation [C6H12N2S-5H]+, Rule of HR True", "139.09824": "Theoretical m/z 139.097818, Mass diff 0 (3.04 ppm), SMILES N(N=CC(C)(C)C)=CNN, Annotation [C6H14N4-3H]+, Rule of HR True", "141.04825": "Theoretical m/z 141.048089, Mass diff 0 (1.14 ppm), SMILES SC=NN=CC(C)(C)C, Annotation [C6H12N2S-3H]+, Rule of HR True", "143.06389": "Theoretical m/z 143.063739, Mass diff 0 (1.05 ppm), SMILES SC=NN=CC(C)(C)C, Annotation [C6H12N2S-H]+, Rule of HR True", "145.05458": "Theoretical m/z 145.054792, Mass diff 0 (0 ppm), Formula C4H9N4S", "153.07755": "Theoretical m/z 153.077091, Mass diff 0 (3 ppm), SMILES O=C1C(=NN=CN1N)C(C)C, Annotation [C6H10N4O-H]+, Rule of HR True", "154.04378": "Theoretical m/z 154.043893, Mass diff 0 (0 ppm), Formula C6H8N3S", "155.06427": "Theoretical m/z 155.063745, Mass diff 0.001 (3.39 ppm), SMILES N(N=CC(C)(C)C)=CSC, Annotation [C7H14N2S-3H]+, Rule of HR True", "156.05936": "Theoretical m/z 156.059543, Mass diff 0 (0 ppm), Formula C6H10N3S", "157.04344": "Theoretical m/z 157.043559, Mass diff 0 (0 ppm), Formula C6H9N2OS", "157.05453": "Theoretical m/z 157.054792, Mass diff 0 (0 ppm), Formula C5H9N4S", "168.02261": "Theoretical m/z 168.023158, Mass diff 0 (0 ppm), Formula C6H6N3OS", "170.07477": "Theoretical m/z 170.07464, Mass diff 0 (0.77 ppm), SMILES N(N=C(SC)N)=CC(C)(C)C, Annotation [C7H15N3S-3H]+, Rule of HR True", "171.05882": "Theoretical m/z 171.058658, Mass diff 0 (0.95 ppm), SMILES O=CC(=NN=CS)C(C)(C)C, Annotation [C7H12N2OS-H]+, Rule of HR True", "171.07022": "Theoretical m/z 171.069894, Mass diff 0 (1.9 ppm), SMILES SC(=NN=CC(C)(C)C)NN, Annotation [C6H14N4S-3H]+, Rule of HR True", "182.03879": "Theoretical m/z 182.038263, Mass diff 0.001 (2.9 ppm), SMILES O=C1NC(S)=NN=C1C(C)(C)C, Annotation [C7H11N3OS-3H]+, Rule of HR True", "184.05394": "Theoretical m/z 184.053913, Mass diff 0 (0.15 ppm), SMILES O=C1NC(S)=NN=C1C(C)(C)C, Annotation [C7H11N3OS-H]+, Rule of HR True", "187.10153": "Theoretical m/z 187.101184, Mass diff 0 (1.85 ppm), SMILES N(N=C(SC)NN)=CC(C)(C)C, Annotation [C7H16N4S-H]+, Rule of HR True", "215.09644": "Theoretical m/z 215.096113, Mass diff 0 (1.52 ppm), SMILES O=C1C(=NN=C(SC)N1N)C(C)(C)C, Annotation [C8H14N4OS+H]+, Rule of HR True"}, "num_peaks": "62", "compound_name": "Metribuzin", "retention_time": 4.458099, "precursor_mz": 215.0965, "collision_energy": "", "peaks_json": [[85.08886, 22454.0], [87.00137, 169483.0], [88.00926, 84542.0], [89.01718, 426359.0], [95.06072, 92527.0], [96.04461, 50118.0], [97.06514, 96987.0], [98.05901, 20223.0], [99.09205, 39234.0], [104.02791, 100681.0], [108.06841, 101836.0], [109.07641, 56085.0], [110.06014, 53533.0], [110.08431, 26239.0], [114.03733, 55997.0], [114.99636, 118244.0], [115.0202, 36933.0], [116.01549, 91102.0], [117.01186, 22228.0], [123.05569, 75674.0], [123.07951, 19671.0], [124.06344, 40346.0], [124.08718, 18832.0], [125.07124, 54613.0], [125.0825, 115086.0], [126.10277, 28501.0], [129.03598, 19818.0], [130.03105, 252134.0], [131.0276, 22354.0], [131.03888, 1631897.0], [139.03265, 27241.0], [139.09824, 52072.0], [140.04034, 101100.0], [141.03566, 33429.0], [141.04825, 19469.0], [143.06389, 91872.0], [144.03552, 36694.0], [145.05458, 227341.0], [147.91982, 56049.0], [147.93188, 52360.0], [147.93575, 42677.0], [147.94106, 55028.0], [153.07755, 94895.0], [154.04378, 27710.0], [155.05132, 25496.0], [155.06427, 49916.0], [156.05936, 708006.0], [157.04344, 120558.0], [157.05453, 30768.0], [168.02261, 18988.0], [170.07477, 29338.0], [171.05882, 968992.0], [171.07022, 30976.0], [171.08282, 34546.0], [172.07808, 172693.0], [173.50877, 74710.0], [182.03879, 33707.0], [183.04619, 29308.0], [184.05394, 333698.0], [186.08231, 47791.0], [187.10153, 1851092.0], [215.09644, 112225.0]]}, {"scannumber": "2407", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H19N5S", "inchikey": "AAEVYOVXGOFMJO-UHFFFAOYSA-N", "inchi": "", "smiles": "CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.05116": "Theoretical m/z 85.051421, Mass diff 0 (0 ppm), Formula C2H5N4", "91.03273": "Theoretical m/z 91.032446, Mass diff 0 (3.12 ppm), SMILES N=C(SC)N, Annotation [C2H6N2S+H]+, Rule of HR True", "96.05572": "Theoretical m/z 96.056172, Mass diff 0 (0 ppm), Formula C4H6N3", "102.03746": "Theoretical m/z 102.037745, Mass diff 0 (0 ppm), Formula C4H8NS", "110.04619": "Theoretical m/z 110.04667, Mass diff 0 (0 ppm), Formula C3H4N5", "110.0716": "Theoretical m/z 110.071275, Mass diff 0 (2.95 ppm), SMILES N=CNC=NC(C)C, Annotation [C5H11N3-3H]+, Rule of HR True", "113.0825": "Theoretical m/z 113.082721, Mass diff 0 (0 ppm), Formula C4H9N4", "116.0279": "Theoretical m/z 116.027691, Mass diff 0 (1.81 ppm), SMILES N=CNC(=N)SC, Annotation [C3H7N3S-H]+, Rule of HR True", "138.07761": "Theoretical m/z 138.077422, Mass diff 0 (1.36 ppm), SMILES N=C(N)NC(=NC(C)C)N, Annotation [C5H13N5-5H]+, Rule of HR True", "144.05917": "Theoretical m/z 144.058994, Mass diff 0 (1.22 ppm), SMILES N=C(S)NC=NC(C)C, Annotation [C5H11N3S-H]+, Rule of HR True", "158.04646": "Theoretical m/z 158.04667, Mass diff 0 (0 ppm), Formula C7H4N5", "158.04967": "Theoretical m/z 158.049498, Mass diff 0 (1.09 ppm), SMILES N=C1N=C(SC)NC(=N)N1, Annotation [C4H7N5S+H]+, Rule of HR True", "186.08095": "Theoretical m/z 186.080793, Mass diff 0 (0.84 ppm), SMILES N=C1N=C(S)NC(=NC(C)C)N1, Annotation [C6H11N5S+H]+, Rule of HR True", "200.09659": "Theoretical m/z 200.096434, Mass diff 0 (0.78 ppm), SMILES N=C1N=C(SC)NC(=NC(C)C)N1, Annotation [C7H13N5S+H]+, Rule of HR True"}, "num_peaks": "15", "compound_name": "Prometryne", "retention_time": 4.990861, "precursor_mz": 242.1439, "collision_energy": "", "peaks_json": [[85.05116, 4457818.0], [91.03273, 8009682.0], [96.05572, 6069758.0], [102.03746, 367626.0], [110.04619, 4165152.0], [110.0716, 444450.0], [113.0825, 1093208.0], [116.0279, 11189147.0], [138.07761, 4951850.0], [144.05917, 3781341.0], [158.04646, 408855.0], [158.04967, 34215304.0], [173.50693, 425480.0], [186.08095, 16656961.0], [200.09659, 2036050.0]]}, {"scannumber": "8415", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C19H25N2OClS", "inchikey": "DWFZBUWUXWZWKD-UHFFFAOYSA-N", "inchi": "", "smiles": "O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"147.11726": "Theoretical m/z 147.116825, Mass diff 0 (2.96 ppm), SMILES C=1C=C(C=CC1C)C(C)(C)C, Annotation [C11H16-H]+, Rule of HR True", "309.0834": "Theoretical m/z 309.082289, Mass diff 0.001 (3.6 ppm), SMILES O=C1NN=CC(SCC2=CC=C(C=C2)C(C)(C)C)=C1Cl, Annotation [C15H17ClN2OS+H]+, Rule of HR True", "365.14478": "Theoretical m/z 365.14488, Mass diff 0 (0.27 ppm), SMILES O=C1C(Cl)=C(SCC2=CC=C(C=C2)C(C)(C)C)C=NN1C(C)(C)C, Annotation [C19H25ClN2OS+H]+, Rule of HR True"}, "num_peaks": "3", "compound_name": "Pyridaben", "retention_time": 7.556859, "precursor_mz": 365.1459, "collision_energy": "", "peaks_json": [[147.11726, 1746679.0], [309.0834, 39061400.0], [365.14478, 6893662.0]]}, {"scannumber": "1608", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C8H15N5S", "inchikey": "MGLWZSOBALDPEK-UHFFFAOYSA-N", "inchi": "", "smiles": "CCN=c1nc(SC)[nH]c(=NCC)[nH]1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.03273": "Theoretical m/z 91.032446, Mass diff 0 (3.12 ppm), SMILES N=C(SC)N, Annotation [C2H6N2S+H]+, Rule of HR True", "96.05597": "Theoretical m/z 96.05562, Mass diff 0 (3.65 ppm), SMILES N=CNC=NCC, Annotation [C4H9N3-3H]+, Rule of HR True", "102.03746": "Theoretical m/z 102.037745, Mass diff 0 (0 ppm), Formula C4H8NS", "113.0825": "Theoretical m/z 113.082172, Mass diff 0 (2.9 ppm), SMILES N=CNC(=NCC)N, Annotation [C4H10N4-H]+, Rule of HR True", "116.0279": "Theoretical m/z 116.027691, Mass diff 0 (1.81 ppm), SMILES N=C(N=CSC)N, Annotation [C3H7N3S-H]+, Rule of HR True", "124.08718": "Theoretical m/z 124.086923, Mass diff 0 (2.07 ppm), SMILES N(=CNC=NCC)CC, Annotation [C6H13N3-3H]+, Rule of HR True", "138.07761": "Theoretical m/z 138.077427, Mass diff 0 (1.33 ppm), SMILES N=C1N=CNC(=NCC)N1, Annotation [C5H9N5-H]+, Rule of HR True", "144.05917": "Theoretical m/z 144.058994, Mass diff 0 (1.22 ppm), SMILES N=C(SC)NC=NCC, Annotation [C5H11N3S-H]+, Rule of HR True", "158.04967": "Theoretical m/z 158.049498, Mass diff 0 (1.09 ppm), SMILES N=C1N=C(SC)NC(=N)N1, Annotation [C4H7N5S+H]+, Rule of HR True", "166.10905": "Theoretical m/z 166.108722, Mass diff 0 (1.97 ppm), SMILES N1=CNC(=NCC)NC1=NCC, Annotation [C7H13N5-H]+, Rule of HR True", "186.08095": "Theoretical m/z 186.080793, Mass diff 0 (0.84 ppm), SMILES N=C1N=C(SC)NC(=NCC)N1, Annotation [C6H11N5S+H]+, Rule of HR True", "214.11266": "Theoretical m/z 214.112089, Mass diff 0.001 (2.67 ppm), SMILES N=1C(=NCC)NC(=NCC)NC1SC, Annotation [C8H15N5S+H]+, Rule of HR True"}, "num_peaks": "12", "compound_name": "Simetryn", "retention_time": 3.75983, "precursor_mz": 214.1124, "collision_energy": "", "peaks_json": [[91.03273, 299056.0], [96.05597, 10435853.0], [102.03746, 159989.0], [113.0825, 349517.0], [116.0279, 6039216.0], [124.08718, 4340512.0], [138.07761, 424357.0], [144.05917, 2698291.0], [158.04967, 123923.0], [166.10905, 576911.0], [186.08095, 411980.0], [214.11266, 506708.0]]}, {"scannumber": "2110", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H10N4O3Cl2F2S", "inchikey": "OORLZFUTLGXMEF-UHFFFAOYSA-N", "inchi": "", "smiles": "Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.03084": "Theoretical m/z 92.030633, Mass diff 0 (2.25 ppm), SMILES FC(F)NCC, Annotation [C3H7F2N-3H]+, Rule of HR True", "109.9793": "Theoretical m/z 109.979752, Mass diff 0 (0 ppm), Formula C5HClN", "111.99506": "Theoretical m/z 111.995402, Mass diff 0 (0 ppm), Formula C5H3ClN", "127.99009": "Theoretical m/z 127.990316, Mass diff 0 (0 ppm), Formula C5H3ClNO", "136.99023": "Theoretical m/z 136.990651, Mass diff 0 (0 ppm), Formula C6H2ClN2", "139.00583": "Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2", "145.95616": "Theoretical m/z 145.956429, Mass diff 0 (0 ppm), Formula C5H2Cl2N", "146.00066": "Theoretical m/z 146.000881, Mass diff 0 (0 ppm), Formula C5H5ClNO2", "146.96414": "Theoretical m/z 146.964055, Mass diff -0.001 (0 ppm), Formula H2Cl2FN4", "149.04001": "Theoretical m/z 149.039521, Mass diff 0 (3.28 ppm), SMILES O=C1NN=C(N1C(F)F)C, Annotation [C4H5F2N3O]+, Rule of HR False", "155.00107": "Theoretical m/z 155.001671, Mass diff 0 (0 ppm), Formula CHF2N4O3", "157.95639": "Theoretical m/z 157.95588, Mass diff 0.001 (3.23 ppm), SMILES ClC1=CC=C(N)C(Cl)=C1, Annotation [C6H5Cl2N-3H]+, Rule of HR True", "163.96677": "Theoretical m/z 163.96745, Mass diff 0 (0 ppm), Formula HClF2N3O3", "172.96719": "Theoretical m/z 172.966775, Mass diff 0 (2.4 ppm), SMILES ClC=1C=C(Cl)C(N)=CC1N, Annotation [C6H6Cl2N2-3H]+, Rule of HR True", "173.95125": "Theoretical m/z 173.951344, Mass diff 0 (0 ppm), Formula C6H2Cl2NO", "173.97466": "Theoretical m/z 173.9746, Mass diff 0 (0.34 ppm), SMILES ClC=1C=C(Cl)C(N)=CC1N, Annotation [C6H6Cl2N2-2H]+, Rule of HR False", "175.96661": "Theoretical m/z 175.966994, Mass diff 0 (0 ppm), Formula C6H4Cl2NO", "178.01723": "Theoretical m/z 178.0172, Mass diff -0.001 (0 ppm), Formula C8H5ClN3", "180.03255": "Theoretical m/z 180.03285, Mass diff 0 (0 ppm), Formula C8H7ClN3", "182.01176": "Theoretical m/z 182.012114, Mass diff 0 (0 ppm), Formula C7H5ClN3O", "186.98276": "Theoretical m/z 186.983434, Mass diff 0 (0 ppm), Formula C2H2ClF2N4O2", "190.97755": "Theoretical m/z 190.977893, Mass diff 0 (0 ppm), Formula C6H5Cl2N2O", "198.94617": "Theoretical m/z 198.946044, Mass diff 0 (0.63 ppm), SMILES O=CNC1=CC(N)=C(Cl)C=C1Cl, Annotation [C7H6Cl2N2O-5H]+, Rule of HR True", "200.96233": "Theoretical m/z 200.961694, Mass diff 0.001 (3.16 ppm), SMILES O=CNC1=CC(N)=C(Cl)C=C1Cl, Annotation [C7H6Cl2N2O-3H]+, Rule of HR True", "212.00275": "Theoretical m/z 212.00338, Mass diff 0 (0 ppm), Formula C10H8Cl2N", "213.9933": "Theoretical m/z 213.993326, Mass diff 0 (0.12 ppm), SMILES ClC=1C=C(Cl)C(=CC1N)NN=CC, Annotation [C8H9Cl2N3-3H]+, Rule of HR True", "218.9523": "Theoretical m/z 218.952821, Mass diff 0 (0 ppm), Formula C7H2Cl2FN2O", "221.02235": "Theoretical m/z 221.023013, Mass diff 0 (0 ppm), Formula C9H6ClN4O", "222.03113": "Theoretical m/z 222.031494, Mass diff 0 (0 ppm), Formula C9H5FN3O3", "223.03876": "Theoretical m/z 223.039806, Mass diff 0 (0 ppm), Formula C6H9ClFN4O2", "226.96516": "Theoretical m/z 226.965973, Mass diff 0 (0 ppm), Formula C8HClFN2O3", "232.00861": "Theoretical m/z 232.008921, Mass diff 0 (0 ppm), Formula C8H5ClF2N3O", "245.96388": "Theoretical m/z 245.964863, Mass diff 0 (0 ppm), Formula C5H4Cl2F2N3O2", "246.97118": "Theoretical m/z 246.972201, Mass diff 0 (0 ppm), Formula C8H2ClF2N2O3", "256.99966": "Theoretical m/z 256.999134, Mass diff 0.001 (2.05 ppm), SMILES O=C1NC(=NN1C2=CC(N)=C(Cl)C=C2Cl)C, Annotation [C9H8Cl2N4O-H]+, Rule of HR True", "258.00772": "Theoretical m/z 258.006959, Mass diff 0.001 (2.95 ppm), SMILES O=C1NC(=NN1C2=CC(N)=C(Cl)C=C2Cl)C, Annotation [C9H8Cl2N4O]+, Rule of HR False", "271.01935": "Theoretical m/z 271.019281, Mass diff 0 (0.26 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C2=CC=C(Cl)C(N)=C2, Annotation [C10H9ClF2N4O-3H]+, Rule of HR True", "273.035": "Theoretical m/z 273.034931, Mass diff 0 (0.25 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C2=CC=C(Cl)C(N)=C2, Annotation [C10H9ClF2N4O-H]+, Rule of HR True", "279.98544": "Theoretical m/z 279.98506, Mass diff 0 (1.36 ppm), SMILES O=C1N(N=CN1C(F)F)C2=CC=C(Cl)C=C2Cl, Annotation [C9H5Cl2F2N3O+H]+, Rule of HR True", "286.99054": "Theoretical m/z 286.989709, Mass diff 0.001 (2.89 ppm), SMILES O=C1N(N=C(N1CF)C)C2=CC(N)=C(Cl)C=C2Cl, Annotation [C10H9Cl2FN4O-3H]+, Rule of HR True", "287.99789": "Theoretical m/z 287.997534, Mass diff 0 (1.24 ppm), SMILES O=C1N(N=C(N1CF)C)C2=CC(N)=C(Cl)C=C2Cl, Annotation [C10H9Cl2FN4O-2H]+, Rule of HR False", "289.03033": "Theoretical m/z 289.030385, Mass diff 0 (0 ppm), Formula C10H8ClF2N4O2", "306.99692": "Theoretical m/z 306.99596, Mass diff 0.001 (3.13 ppm), SMILES O=C1N(N=C(N1C(F)F)C)C2=CC(N)=C(Cl)C=C2Cl, Annotation [C10H8Cl2F2N4O-H]+, Rule of HR True", "336.99271": "Theoretical m/z 336.992353, Mass diff 0 (1.06 ppm), SMILES O=C1NC(=NN1C2=CC(NS(=O)(=O)C)=C(Cl)C=C2Cl)C, Annotation [C10H10Cl2N4O3S+H]+, Rule of HR True"}, "num_peaks": "48", "compound_name": "Sulfentrazone", "retention_time": 4.825635, "precursor_mz": 386.99, "collision_energy": "", "peaks_json": [[92.03084, 36986.0], [109.9793, 24541.0], [111.99506, 13105.0], [127.99009, 18850.0], [136.99023, 73690.0], [139.00583, 127950.0], [145.95616, 142592.0], [146.00066, 61013.0], [146.96414, 17631.0], [149.04001, 58665.0], [155.00107, 516575.0], [157.95639, 179021.0], [163.96677, 638082.0], [172.96719, 294246.0], [173.50693, 15383.0], [173.95125, 25670.0], [173.97466, 222766.0], [175.96661, 26415.0], [178.01723, 464585.0], [180.03255, 13838.0], [182.01176, 108423.0], [186.98276, 774653.0], [190.97755, 43534.0], [198.94617, 336099.0], [200.96233, 30494.0], [212.00275, 22753.0], [213.9933, 128858.0], [218.9523, 26640.0], [221.02235, 12118.0], [222.03113, 12834.0], [223.03876, 132014.0], [226.96516, 14865.0], [232.00861, 308335.0], [245.96388, 122236.0], [246.97118, 31675.0], [256.99966, 41655.0], [258.00772, 138182.0], [271.01935, 68960.0], [272.02798, 110904.0], [273.035, 1123625.0], [274.04276, 16257.0], [279.98544, 298347.0], [286.99054, 64325.0], [287.99789, 19349.0], [289.03033, 15241.0], [306.99692, 72556.0], [308.00412, 68794.0], [336.99271, 19232.0]]}, {"scannumber": "2407", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H19N5S", "inchikey": "IROINLKCQGIITA-UHFFFAOYSA-N", "inchi": "", "smiles": "CCN=c1nc([nH]c(n1)SC)NC(C)(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.05116": "Theoretical m/z 85.051421, Mass diff 0 (0 ppm), Formula C2H5N4", "91.03273": "Theoretical m/z 91.032446, Mass diff 0 (3.12 ppm), SMILES N=C(SC)N, Annotation [C2H6N2S+H]+, Rule of HR True", "96.05572": "Theoretical m/z 96.05562, Mass diff 0 (1.05 ppm), SMILES N(C=NCC)=CN, Annotation [C4H9N3-3H]+, Rule of HR True", "102.03746": "Theoretical m/z 102.037745, Mass diff 0 (0 ppm), Formula C4H8NS", "110.04619": "Theoretical m/z 110.04667, Mass diff 0 (0 ppm), Formula C3H4N5", "110.0716": "Theoretical m/z 110.071822, Mass diff 0 (0 ppm), Formula C5H8N3", "113.0825": "Theoretical m/z 113.082172, Mass diff 0 (2.9 ppm), SMILES N(C=NCC)=C(N)N, Annotation [C4H10N4-H]+, Rule of HR True", "116.0279": "Theoretical m/z 116.027691, Mass diff 0 (1.81 ppm), SMILES N=CN=C(SC)N, Annotation [C3H7N3S-H]+, Rule of HR True", "138.07761": "Theoretical m/z 138.077427, Mass diff 0 (1.33 ppm), SMILES N1=CNC(=NC1=NCC)N, Annotation [C5H9N5-H]+, Rule of HR True", "144.05917": "Theoretical m/z 144.058994, Mass diff 0 (1.22 ppm), SMILES N(C=NCC)=C(SC)N, Annotation [C5H11N3S-H]+, Rule of HR True", "158.04646": "Theoretical m/z 158.04667, Mass diff 0 (0 ppm), Formula C7H4N5", "158.04967": "Theoretical m/z 158.049498, Mass diff 0 (1.09 ppm), SMILES N=C1N=C(SC)NC(=N1)N, Annotation [C4H7N5S+H]+, Rule of HR True", "186.08095": "Theoretical m/z 186.080793, Mass diff 0 (0.84 ppm), SMILES N=1C(N=C(N)NC1SC)=NCC, Annotation [C6H11N5S+H]+, Rule of HR True", "200.09659": "Theoretical m/z 200.096434, Mass diff 0 (0.78 ppm), SMILES N=C1N=C(S)NC(=N1)NC(C)(C)C, Annotation [C7H13N5S+H]+, Rule of HR True"}, "num_peaks": "15", "compound_name": "Terbutryn", "retention_time": 4.990861, "precursor_mz": 242.1439, "collision_energy": "", "peaks_json": [[85.05116, 4457818.0], [91.03273, 8009682.0], [96.05572, 6069758.0], [102.03746, 367626.0], [110.04619, 4165152.0], [110.0716, 444450.0], [113.0825, 1093208.0], [116.0279, 11189147.0], [138.07761, 4951850.0], [144.05917, 3781341.0], [158.04646, 408855.0], [158.04967, 34215304.0], [173.50693, 425480.0], [186.08095, 16656961.0], [200.09659, 2036050.0]]}, {"scannumber": "1232", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H7N3S", "inchikey": "WJCNZQLZVWNLKY-UHFFFAOYSA-N", "inchi": "", "smiles": "c1scc(n1)c1nc2c([nH]1)cccc2", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "131.06062": "Theoretical m/z 131.060367, Mass diff 0 (1.93 ppm), SMILES N=1C=2C=CC=CC2NC1C, Annotation [C8H8N2-H]+, Rule of HR True", "143.06068": "Theoretical m/z 143.060367, Mass diff 0 (2.19 ppm), SMILES N1=C(C=C)NC=2C=CC=CC12, Annotation [C9H8N2-H]+, Rule of HR True", "158.07153": "Theoretical m/z 158.071277, Mass diff 0 (1.6 ppm), SMILES N(=C)CC1=NC=2C=CC=CC2N1, Annotation [C9H9N3-H]+, Rule of HR True", "170.07179": "Theoretical m/z 170.071277, Mass diff 0.001 (3.01 ppm), SMILES N(=C)C(=C)C1=NC=2C=CC=CC2N1, Annotation [C10H9N3-H]+, Rule of HR True", "175.03255": "Theoretical m/z 175.032444, Mass diff 0 (0.61 ppm), SMILES SC=CC1=NC=2C=CC=CC2N1, Annotation [C9H8N2S-H]+, Rule of HR True", "202.04396": "Theoretical m/z 202.043348, Mass diff 0.001 (3.03 ppm), SMILES N1=CSC=C1C2=NC3=CC=CC=C3N2, Annotation [C10H7N3S+H]+, Rule of HR True"}, "num_peaks": "7", "compound_name": "Thiabendazole", "retention_time": 2.44406, "precursor_mz": 202.0437, "collision_energy": "", "peaks_json": [[92.0498, 482307.0], [131.06062, 3699935.0], [143.06068, 408061.0], [158.07153, 301732.0], [170.07179, 139529.0], [175.03255, 9873992.0], [202.04396, 3731232.0]]}, {"scannumber": "1685", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C10H9N4ClS", "inchikey": "HOKKPVIRMVDYPB-UHFFFAOYSA-N", "inchi": "", "smiles": "N#CN=C1SCCN1Cc1ccc(nc1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"90.03403": "Theoretical m/z 90.033822, Mass diff 0 (2.31 ppm), SMILES N=1C=CC=C(C1)C, Annotation [C6H7N-3H]+, Rule of HR True", "91.04182": "Theoretical m/z 91.041647, Mass diff 0 (1.9 ppm), SMILES N=1C=CC=C(C1)C, Annotation [C6H7N-2H]+, Rule of HR False", "98.99973": "Theoretical m/z 99.000153, Mass diff 0 (0 ppm), Formula C5H4Cl", "126.01085": "Theoretical m/z 126.010502, Mass diff 0 (2.77 ppm), SMILES ClC1=NC=C(C=C1)C, Annotation [C6H6ClN-H]+, Rule of HR True"}, "num_peaks": "6", "compound_name": "Thiacloprid", "retention_time": 4.159843, "precursor_mz": 253.0315, "collision_energy": "", "peaks_json": [[90.03403, 1177314.0], [91.04182, 256154.0], [98.99973, 1052050.0], [108.0446, 146293.0], [126.01085, 11655971.0], [144.02113, 633179.0]]}, {"scannumber": "1108", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C8H10N5O3ClS", "inchikey": "NWWZPOKUUAIXIW-UHFFFAOYSA-N", "inchi": "", "smiles": "CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"131.96729": "Theoretical m/z 131.966922, Mass diff 0 (2.79 ppm), SMILES ClC1=NC=C(S1)C, Annotation [C4H4ClNS-H]+, Rule of HR True", "174.9729": "Theoretical m/z 174.972741, Mass diff 0 (0.91 ppm), SMILES ClC1=NC=C(S1)CNCO, Annotation [C5H7ClN2OS-3H]+, Rule of HR True", "181.0547": "Theoretical m/z 181.054792, Mass diff 0 (0 ppm), Formula C7H9N4S", "211.06477": "Theoretical m/z 211.064808, Mass diff 0 (0.18 ppm), SMILES N=C1N(C)COCN1CC=2SC=NC2, Annotation [C8H12N4OS-H]+, Rule of HR True", "245.02655": "Theoretical m/z 245.025837, Mass diff 0.001 (2.91 ppm), SMILES ClC1=NC=C(S1)CN2C(=N)N(C)COC2, Annotation [C8H11ClN4OS-H]+, Rule of HR True", "248.02554": "Theoretical m/z 248.02605, Mass diff 0 (0 ppm), Formula C8H11ClN3O2S", "292.02722": "Theoretical m/z 292.026564, Mass diff 0.001 (2.25 ppm), SMILES O=N(=O)N=C1N(C)COCN1CC=2SC(Cl)=NC2, Annotation [C8H10ClN5O3S+H]+, Rule of HR True"}, "num_peaks": "10", "compound_name": "Thiamethoxam", "retention_time": 2.35524, "precursor_mz": 292.0273, "collision_energy": "", "peaks_json": [[131.96729, 856494.0], [174.9729, 61417.0], [180.04681, 65222.0], [181.0547, 129376.0], [210.05699, 499700.0], [211.06477, 3262623.0], [245.02655, 33196.0], [246.0343, 359117.0], [248.02554, 112237.0], [292.02722, 584625.0]]}, {"scannumber": "2638", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H7N3S", "inchikey": "DQJCHOQLCLEDLL-UHFFFAOYSA-N", "inchi": "", "smiles": "Cc1cccc2c1n1cnnc1s2", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.0498": "Theoretical m/z 92.050024, Mass diff 0 (0 ppm), Formula C6H6N", "109.01101": "Theoretical m/z 109.010646, Mass diff 0 (3.33 ppm), SMILES SC=1C=CC=CC1, Annotation [C6H6S-H]+, Rule of HR True", "119.06059": "Theoretical m/z 119.060923, Mass diff 0 (0 ppm), Formula C7H7N2", "129.04501": "Theoretical m/z 129.044723, Mass diff 0 (2.23 ppm), SMILES N=CNC=1C=CC=CC1C, Annotation [C8H10N2-5H]+, Rule of HR True", "130.04021": "Theoretical m/z 130.040522, Mass diff 0 (0 ppm), Formula C7H4N3", "136.02161": "Theoretical m/z 136.021549, Mass diff 0 (0.45 ppm), SMILES S1C=2C=CC=CC2NC1, Annotation [C7H7NS-H]+, Rule of HR True", "137.01691": "Theoretical m/z 137.017344, Mass diff 0 (0 ppm), Formula C6H5N2S", "163.03258": "Theoretical m/z 163.032444, Mass diff 0 (0.84 ppm), SMILES N=C1SC2=CC=CC(=C2N1)C, Annotation [C8H8N2S-H]+, Rule of HR True", "190.04391": "Theoretical m/z 190.043348, Mass diff 0.001 (2.96 ppm), SMILES N=1N=C2SC3=CC=CC(=C3N2C1)C, Annotation [C9H7N3S+H]+, Rule of HR True"}, "num_peaks": "10", "compound_name": "Tricyclazole", "retention_time": 5.514598, "precursor_mz": 190.0439, "collision_energy": "", "peaks_json": [[92.0498, 1103195.0], [109.01101, 3220386.0], [119.06059, 619856.0], [127.02138, 192273.0], [129.04501, 178061.0], [130.04021, 316945.0], [136.02161, 16492967.0], [137.01691, 212259.0], [163.03258, 14491751.0], [190.04391, 4390148.0]]}, {"scannumber": "2801", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H12N2OCl2", "inchikey": "NHOWDZOIZKMVAI-KRWDZBQOSA-N", "inchi": "", "smiles": "Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"129.01041": "Theoretical m/z 129.010717, Mass diff 0 (0 ppm), Formula C6H6ClO", "138.99483": "Theoretical m/z 138.994516, Mass diff 0 (2.26 ppm), SMILES ClC=1C=CC=CC1CO, Annotation [C7H7ClO-3H]+, Rule of HR True", "139.00581": "Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2", "140.02657": "Theoretical m/z 140.026702, Mass diff 0 (0 ppm), Formula C7H7ClN", "149.01559": "Theoretical m/z 149.015252, Mass diff 0 (2.27 ppm), SMILES ClC=1C=CC=CC1CC=C, Annotation [C9H9Cl-3H]+, Rule of HR True", "156.06877": "Theoretical m/z 156.068748, Mass diff -0.001 (0 ppm), Formula C10H8N2", "157.07619": "Theoretical m/z 157.076573, Mass diff 0 (0 ppm), Formula C10H9N2", "164.0265": "Theoretical m/z 164.026147, Mass diff 0 (2.15 ppm), SMILES ClC=1C=CC=CC1CCC=N, Annotation [C9H10ClN-3H]+, Rule of HR True", "165.07053": "Theoretical m/z 165.070425, Mass diff -0.001 (0 ppm), Formula C13H9", "178.07843": "Theoretical m/z 178.07825, Mass diff -0.001 (0 ppm), Formula C14H10", "183.0555": "Theoretical m/z 183.055292, Mass diff 0 (1.14 ppm), SMILES OC(C=1C=NC=NC1)C=2C=CC=CC2, Annotation [C11H10N2O-3H]+, Rule of HR True", "185.07138": "Theoretical m/z 185.070942, Mass diff 0 (2.37 ppm), SMILES OC(C=1C=NC=NC1)C=2C=CC=CC2, Annotation [C11H10N2O-H]+, Rule of HR True", "189.07033": "Theoretical m/z 189.070425, Mass diff 0 (0 ppm), Formula C15H9", "192.02161": "Theoretical m/z 192.021066, Mass diff 0.001 (2.83 ppm), SMILES ClC=1C=CC=CC1C(O)C(=C)C=N, Annotation [C10H10ClNO-3H]+, Rule of HR True", "192.04518": "Theoretical m/z 192.044882, Mass diff 0 (1.55 ppm), SMILES ClC=1C=CC=CC1CCC=NC=N, Annotation [C10H11ClN2-2H]+, Rule of HR False", "199.0313": "Theoretical m/z 199.030908, Mass diff 0 (1.97 ppm), SMILES ClC=1C=CC=CC1CC=2C=CC=CC2, Annotation [C13H11Cl-3H]+, Rule of HR True", "204.08092": "Theoretical m/z 204.081324, Mass diff 0 (0 ppm), Formula C15H10N", "205.06487": "Theoretical m/z 205.06534, Mass diff 0 (0 ppm), Formula C15H9O", "206.07339": "Theoretical m/z 206.073652, Mass diff 0 (0 ppm), Formula C12H13ClN", "216.08105": "Theoretical m/z 216.081324, Mass diff 0 (0 ppm), Formula C16H10N", "217.06558": "Theoretical m/z 217.06534, Mass diff -0.001 (0 ppm), Formula C16H9O", "219.0323": "Theoretical m/z 219.031971, Mass diff 0 (1.5 ppm), SMILES ClC=1C=CC=CC1C(O)C=2C=NC=NC2, Annotation [C11H9ClN2O-H]+, Rule of HR True", "223.03162": "Theoretical m/z 223.030898, Mass diff 0.001 (3.24 ppm), SMILES ClC=1C=CC=CC1C(C=C)C=2C=CC=CC2, Annotation [C15H13Cl-5H]+, Rule of HR True", "225.04663": "Theoretical m/z 225.046548, Mass diff 0 (0.36 ppm), SMILES ClC=1C=CC=CC1C(C=C)C=2C=CC=CC2, Annotation [C15H13Cl-3H]+, Rule of HR True", "231.0923": "Theoretical m/z 231.092223, Mass diff -0.001 (0 ppm), Formula C16H11N2", "232.07594": "Theoretical m/z 232.076239, Mass diff 0 (0 ppm), Formula C16H10NO", "232.99239": "Theoretical m/z 232.991937, Mass diff 0 (1.94 ppm), SMILES ClC1=CC=C(C=C1)CC=2C=CC=CC2Cl, Annotation [C13H10Cl2-3H]+, Rule of HR True", "235.00783": "Theoretical m/z 235.007587, Mass diff 0 (1.03 ppm), SMILES ClC1=CC=C(C=C1)CC=2C=CC=CC2Cl, Annotation [C13H10Cl2-H]+, Rule of HR True", "238.04195": "Theoretical m/z 238.041808, Mass diff 0 (0.6 ppm), SMILES ClC=1C=CC=CC1C(C=2C=CC=CC2)CC=N, Annotation [C15H14ClN-5H]+, Rule of HR True", "240.05751": "Theoretical m/z 240.057458, Mass diff 0 (0.22 ppm), SMILES ClC=1C=CC=CC1C(C=2C=CC=CC2)CC=N, Annotation [C15H14ClN-3H]+, Rule of HR True", "241.04176": "Theoretical m/z 241.041467, Mass diff 0 (1.22 ppm), SMILES ClC=1C=CC=CC1C(O)(C=C)C=2C=CC=CC2, Annotation [C15H13ClO-3H]+, Rule of HR True", "243.09258": "Theoretical m/z 243.091668, Mass diff 0.001 (3.75 ppm), SMILES N=1C=NC=C(C1)C(C=2C=CC=CC2)C=3C=CC=CC3, Annotation [C17H14N2-3H]+, Rule of HR True", "250.04214": "Theoretical m/z 250.041808, Mass diff 0 (1.33 ppm), SMILES ClC=1C=CC=CC1C(C(=C)C=N)C=2C=CC=CC2, Annotation [C16H14ClN-5H]+, Rule of HR True", "251.0031": "Theoretical m/z 251.002491, Mass diff 0.001 (2.43 ppm), SMILES ClC1=CC=C(C=C1)C(O)C=2C=CC=CC2Cl, Annotation [C13H10Cl2O-H]+, Rule of HR True", "251.02657": "Theoretical m/z 251.026368, Mass diff -0.001 (0 ppm), Formula C16H8ClO", "252.03401": "Theoretical m/z 252.033647, Mass diff 0 (1.44 ppm), SMILES ClC=1C=CC=CC1C(O)(C=2C=CC=CC2)C(=C)C, Annotation [C16H15ClO-6H]+, Rule of HR False", "259.00827": "Theoretical m/z 259.007593, Mass diff 0.001 (2.62 ppm), SMILES ClC1=CC=C(C=C1)C(C=C)C=2C=CC=CC2Cl, Annotation [C15H12Cl2-3H]+, Rule of HR True", "259.08661": "Theoretical m/z 259.086603, Mass diff 0 (0.03 ppm), SMILES OC(C=1C=NC=NC1)(C=2C=CC=CC2)C=3C=CC=CC3, Annotation [C17H14N2O-3H]+, Rule of HR True", "266.03717": "Theoretical m/z 266.036712, Mass diff 0 (1.72 ppm), SMILES ClC=1C=CC=CC1C(O)(C(=C)C=N)C=2C=CC=CC2, Annotation [C16H14ClNO-5H]+, Rule of HR True", "267.04504": "Theoretical m/z 267.044537, Mass diff 0 (1.88 ppm), SMILES ClC=1C=CC=CC1C(O)(C(=C)C=N)C=2C=CC=CC2, Annotation [C16H14ClNO-4H]+, Rule of HR False", "267.06848": "Theoretical m/z 267.068353, Mass diff 0 (0.48 ppm), SMILES ClC=1C=CC=CC1C(C=2C=CC=CC2)CC=NC=N, Annotation [C16H15ClN2-3H]+, Rule of HR True", "268.05276": "Theoretical m/z 268.052362, Mass diff 0 (1.49 ppm), SMILES ClC=1C=CC=CC1C(O)(C(=C)C=N)C=2C=CC=CC2, Annotation [C16H14ClNO-3H]+, Rule of HR True", "276.03445": "Theoretical m/z 276.034137, Mass diff 0 (1.13 ppm), SMILES ClC1=CC=C(C=C1)C(C=2C=CC=CC2Cl)CC=N, Annotation [C15H13Cl2N-H]+, Rule of HR True", "277.0527": "Theoretical m/z 277.052698, Mass diff 0 (0.01 ppm), SMILES ClC=1C=CC=CC1C(C=2C=NC=NC2)C=3C=CC=CC3, Annotation [C17H13ClN2-3H]+, Rule of HR True", "279.06857": "Theoretical m/z 279.068348, Mass diff 0 (0.8 ppm), SMILES ClC=1C=CC=CC1C(C=2C=NC=NC2)C=3C=CC=CC3, Annotation [C17H13ClN2-H]+, Rule of HR True"}, "num_peaks": "60", "compound_name": "Fenarimol", "retention_time": 6.876775, "precursor_mz": 331.0412, "collision_energy": "", "peaks_json": [[129.01041, 62692.0], [138.99483, 4713270.0], [139.00581, 348352.0], [140.02657, 87193.0], [149.01559, 101793.0], [156.06877, 160067.0], [157.07619, 145321.0], [160.97346, 447898.0], [161.97681, 363570.0], [164.0265, 120667.0], [165.07053, 109460.0], [178.07843, 118150.0], [183.0555, 74353.0], [184.06332, 56066.0], [185.07138, 63091.0], [189.07033, 2498508.0], [192.02161, 92048.0], [192.04518, 47251.0], [199.0313, 150848.0], [200.03886, 96007.0], [203.07297, 92058.0], [204.08092, 678200.0], [205.06487, 253030.0], [205.08929, 197254.0], [206.07339, 64967.0], [212.03918, 81877.0], [216.08105, 187436.0], [217.06558, 157687.0], [219.0323, 135275.0], [220.0406, 48463.0], [223.03162, 1274143.0], [224.03886, 340107.0], [225.04663, 54849.0], [231.0923, 53552.0], [232.07594, 380360.0], [232.09967, 52199.0], [232.99239, 244669.0], [233.08405, 997290.0], [235.00783, 124586.0], [238.04195, 729158.0], [240.05751, 690775.0], [241.04176, 517674.0], [241.06586, 115853.0], [242.08463, 143951.0], [243.09258, 198185.0], [250.04214, 378960.0], [251.0031, 434485.0], [251.02657, 76166.0], [251.05006, 585923.0], [252.03401, 1565574.0], [259.00827, 2379846.0], [259.08661, 47950.0], [266.03717, 318342.0], [267.04504, 216878.0], [267.06848, 215642.0], [268.05276, 3869425.0], [276.03445, 91579.0], [277.0527, 143152.0], [278.06161, 515869.0], [279.06857, 114232.0]]}, {"scannumber": "3202", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C19H17N4Cl", "inchikey": "RQDJADAKIFFEKQ-IBGZPJMESA-N", "inchi": "", "smiles": "N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.038575, Mass diff 0 (2.75 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-3H]+, Rule of HR True", "91.05441": "Theoretical m/z 91.054226, Mass diff 0 (2.03 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "103.05439": "Theoretical m/z 103.054223, Mass diff 0 (1.62 ppm), SMILES C=1C=CC(=CC1)CC, Annotation [C8H10-3H]+, Rule of HR True", "125.01532": "Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True", "128.062": "Theoretical m/z 128.0626, Mass diff 0 (0 ppm), Formula C10H8", "129.07021": "Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9", "139.0309": "Theoretical m/z 139.030903, Mass diff 0 (0.02 ppm), SMILES ClC1=CC=C(C=C1)CC, Annotation [C8H9Cl-H]+, Rule of HR True", "155.06064": "Theoretical m/z 155.060378, Mass diff 0 (1.69 ppm), SMILES N#CC(C=1C=CC=CC1)(C)CN, Annotation [C10H12N2-5H]+, Rule of HR True", "163.0309": "Theoretical m/z 163.031453, Mass diff 0 (0 ppm), Formula C10H8Cl"}, "num_peaks": "9", "compound_name": "Fenbuconazole", "retention_time": 7.045859, "precursor_mz": 337.1223, "collision_energy": "", "peaks_json": [[89.03882, 491858.0], [91.05441, 1708709.0], [103.05439, 763259.0], [125.01532, 31583906.0], [128.062, 614101.0], [129.07021, 1018109.0], [139.0309, 716816.0], [155.06064, 335216.0], [163.0309, 736285.0]]}, {"scannumber": "3422", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C16H8N5OCl2F", "inchikey": "IJJVMEJXYNJXOJ-UHFFFAOYSA-N", "inchi": "", "smiles": "Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"108.02471": "Theoretical m/z 108.0244, Mass diff 0 (2.87 ppm), SMILES FC1=CC=C(N)C=C1, Annotation [C6H6FN-3H]+, Rule of HR True", "123.99523": "Theoretical m/z 123.994851, Mass diff 0 (3.05 ppm), SMILES ClC1=CC=C(N)C=C1, Annotation [C6H6ClN-3H]+, Rule of HR True", "126.03514": "Theoretical m/z 126.035517, Mass diff 0 (0 ppm), Formula C6H5FNO", "158.97679": "Theoretical m/z 158.976831, Mass diff -0.001 (0 ppm), Formula C7H5Cl2", "163.03033": "Theoretical m/z 163.030216, Mass diff 0 (0.7 ppm), SMILES O=C1NC=NC=2C=CC(F)=CC12, Annotation [C8H5FN2O-H]+, Rule of HR True", "181.04097": "Theoretical m/z 181.040188, Mass diff -0.001 (0 ppm), Formula C11H5N2O", "243.01224": "Theoretical m/z 243.012529, Mass diff 0 (0 ppm), Formula C13H5ClFN2", "244.01985": "Theoretical m/z 244.019867, Mass diff -0.001 (0 ppm), Formula C16H3FNO", "251.97818": "Theoretical m/z 251.978308, Mass diff 0 (0 ppm), Formula C12H5Cl2FN", "272.01474": "Theoretical m/z 272.014716, Mass diff 0 (0.09 ppm), SMILES O=C1C=2C=C(F)C=CC2N=CN1C3=CC=C(Cl)C=C3, Annotation [C14H8ClFN2O-2H]+, Rule of HR False", "278.98978": "Theoretical m/z 278.988672, Mass diff 0.001 (3.97 ppm), SMILES FC1=CC=C(N=CNC2=CC=C(Cl)C=C2Cl)C=C1, Annotation [C13H9Cl2FN2-3H]+, Rule of HR True", "279.97287": "Theoretical m/z 279.97268, Mass diff 0 (0.68 ppm), SMILES O=C(NC1=CC=C(Cl)C=C1Cl)C=2C=CC=C(F)C2, Annotation [C13H8Cl2FNO-3H]+, Rule of HR True", "306.98392": "Theoretical m/z 306.98357, Mass diff 0 (1.14 ppm), SMILES O=C1C=2C=C(F)C=CC2N=CN1C3=CC=C(Cl)C=C3Cl, Annotation [C14H7Cl2FN2O-H]+, Rule of HR True", "313.02911": "Theoretical m/z 313.02868, Mass diff 0 (1.37 ppm), SMILES O=C1C=2C=C(F)C=CC2N=C(NC=N)N1C3=CC=C(Cl)C=C3, Annotation [C15H10ClFN4O-3H]+, Rule of HR True", "331.97888": "Theoretical m/z 331.978825, Mass diff 0 (0.16 ppm), SMILES O=C(C=1C=CC=C(F)C1)N(C2=CC=C(Cl)C=C2Cl)CNC=N, Annotation [C15H12Cl2FN3O-7H]+, Rule of HR True", "349.00613": "Theoretical m/z 349.005359, Mass diff 0.001 (2.21 ppm), SMILES O=C1C=2C=C(F)C=CC2N=C(NC=N)N1C3=CC=C(Cl)C=C3Cl, Annotation [C15H9Cl2FN4O-H]+, Rule of HR True"}, "num_peaks": "22", "compound_name": "Fluquinconazole", "retention_time": 7.093534, "precursor_mz": 376.0173, "collision_energy": "", "peaks_json": [[108.02471, 848273.0], [123.99523, 983397.0], [126.03514, 85852.0], [158.97679, 294325.0], [163.03033, 1264696.0], [181.04097, 120423.0], [195.05714, 105799.0], [243.01224, 134077.0], [244.01985, 783328.0], [251.97818, 94741.0], [272.01474, 3792436.0], [278.98978, 1325774.0], [279.97287, 100928.0], [287.02576, 171499.0], [306.98392, 7738432.0], [313.02911, 148350.0], [314.03632, 96754.0], [324.99539, 291864.0], [331.97888, 91552.0], [339.01056, 449848.0], [349.00613, 731296.0], [349.98984, 271485.0]]}, {"scannumber": "1408", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C16H13N3OF2", "inchikey": "JWUCHKBSVLQQCO-INIZCTEOSA-N", "inchi": "", "smiles": "Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"109.04492": "Theoretical m/z 109.044803, Mass diff 0 (1.07 ppm), SMILES FC=1C=CC=CC1C, Annotation [C7H7F-H]+, Rule of HR True", "113.03991": "Theoretical m/z 113.040268, Mass diff 0 (0 ppm), Formula C6H6FO", "123.02419": "Theoretical m/z 123.024072, Mass diff 0 (0.96 ppm), SMILES FC=1C=CC=CC1CO, Annotation [C7H7FO-3H]+, Rule of HR True", "137.03973": "Theoretical m/z 137.039728, Mass diff 0 (0.02 ppm), SMILES FC=1C=CC=CC1C(O)C, Annotation [C8H9FO-3H]+, Rule of HR True", "165.06996": "Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9", "194.05283": "Theoretical m/z 194.052629, Mass diff 0 (1.03 ppm), SMILES FC=1C=CC=CC1C(C=2C=CC=CC2)C, Annotation [C14H13F-6H]+, Rule of HR False", "195.06081": "Theoretical m/z 195.060454, Mass diff 0 (1.82 ppm), SMILES FC=1C=CC=CC1C(C=2C=CC=CC2)C, Annotation [C14H13F-5H]+, Rule of HR True", "215.0668": "Theoretical m/z 215.06669, Mass diff 0 (0.51 ppm), SMILES FC1=CC=C(C=C1)C(C=2C=CC=CC2F)C, Annotation [C14H12F2-3H]+, Rule of HR True"}, "num_peaks": "11", "compound_name": "Flutriafol", "retention_time": 5.240544, "precursor_mz": 302.1111, "collision_energy": "", "peaks_json": [[109.04492, 5549990.0], [113.03991, 603136.0], [123.02199, 197823.0], [123.02419, 14667272.0], [123.03517, 2231147.0], [137.03973, 187845.0], [165.06996, 216662.0], [194.05283, 196543.0], [195.06081, 577107.0], [214.05884, 311976.0], [215.0668, 353163.0]]}, {"scannumber": "1202", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H8N2O", "inchikey": "UYJUZNLFJAWNEZ-UHFFFAOYSA-N", "inchi": "", "smiles": "c1coc(c1)c1nc2c([nH]1)cccc2", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"92.0498": "Theoretical m/z 92.049472, Mass diff 0 (3.56 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N-H]+, Rule of HR True", "103.05439": "Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7", "118.05279": "Theoretical m/z 118.052552, Mass diff 0 (2.02 ppm), SMILES N1=CNC=2C=CC=CC12, Annotation [C7H6N2]+, Rule of HR False", "119.06059": "Theoretical m/z 119.060377, Mass diff 0 (1.79 ppm), SMILES N1=CNC=2C=CC=CC12, Annotation [C7H6N2+H]+, Rule of HR True", "128.04956": "Theoretical m/z 128.049478, Mass diff 0 (0.64 ppm), SMILES N(=CC=C)C=1C=CC=CC1, Annotation [C9H9N-3H]+, Rule of HR True", "129.04501": "Theoretical m/z 129.044717, Mass diff 0 (2.27 ppm), SMILES N=1C=2C=CC=CC2NC1C, Annotation [C8H8N2-3H]+, Rule of HR True", "129.05762": "Theoretical m/z 129.057303, Mass diff 0 (2.46 ppm), SMILES N(=CC=C)C=1C=CC=CC1, Annotation [C9H9N-2H]+, Rule of HR False", "130.06528": "Theoretical m/z 130.065128, Mass diff 0 (1.17 ppm), SMILES N(=CC=C)C=1C=CC=CC1, Annotation [C9H9N-H]+, Rule of HR True", "131.06062": "Theoretical m/z 131.060367, Mass diff 0 (1.93 ppm), SMILES N=1C=2C=CC=CC2NC1C, Annotation [C8H8N2-H]+, Rule of HR True", "143.06068": "Theoretical m/z 143.060367, Mass diff 0 (2.19 ppm), SMILES N1=C(C=C)NC=2C=CC=CC12, Annotation [C9H8N2-H]+, Rule of HR True", "155.06064": "Theoretical m/z 155.060373, Mass diff 0 (1.72 ppm), SMILES N1=C(C=CC)NC=2C=CC=CC12, Annotation [C10H10N2-3H]+, Rule of HR True", "156.06877": "Theoretical m/z 156.068198, Mass diff 0.001 (3.67 ppm), SMILES N1=C(C=CC)NC=2C=CC=CC12, Annotation [C10H10N2-2H]+, Rule of HR False", "157.07619": "Theoretical m/z 157.076023, Mass diff 0 (1.06 ppm), SMILES N1=C(C=CC)NC=2C=CC=CC12, Annotation [C10H10N2-H]+, Rule of HR True", "185.0714": "Theoretical m/z 185.070936, Mass diff 0 (2.51 ppm), SMILES N=1C=2C=CC=CC2NC1C=3OC=CC3, Annotation [C11H8N2O+H]+, Rule of HR True"}, "num_peaks": "15", "compound_name": "Fuberidazole", "retention_time": 2.456748, "precursor_mz": 185.0715, "collision_energy": "", "peaks_json": [[92.0498, 2714348.0], [103.05439, 924742.0], [118.05279, 1356359.0], [119.06059, 1561269.0], [128.04956, 416024.0], [129.04501, 934098.0], [129.05762, 1711080.0], [130.06528, 5627980.0], [131.06062, 2006719.0], [142.05298, 1703655.0], [143.06068, 769483.0], [155.06064, 2222038.0], [156.06877, 35950644.0], [157.07619, 39653584.0], [185.0714, 6790632.0]]}, {"scannumber": "1619", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H18N3OCl", "inchikey": "UFNOUKDBUJZYDE-UHFFFAOYSA-N", "inchi": "", "smiles": "CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5", "125.01532": "Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True", "138.99483": "Theoretical m/z 138.994516, Mass diff 0 (2.26 ppm), SMILES ClC1=CC=C(C=C1)CO, Annotation [C7H7ClO-3H]+, Rule of HR True", "139.00581": "Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"}, "num_peaks": "4", "compound_name": "Cyproconazole_1", "retention_time": 6.138374, "precursor_mz": 292.122, "collision_energy": "", "peaks_json": [[89.03882, 111896.0], [125.01532, 6537308.0], [138.99483, 329090.0], [139.00581, 166501.0]]}, {"scannumber": "1786", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H18N3OCl", "inchikey": "UFNOUKDBUJZYDE-UHFFFAOYSA-N", "inchi": "", "smiles": "CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.039125, Mass diff 0 (0 ppm), Formula C7H5", "125.01532": "Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True", "138.99483": "Theoretical m/z 138.994516, Mass diff 0 (2.26 ppm), SMILES ClC1=CC=C(C=C1)CO, Annotation [C7H7ClO-3H]+, Rule of HR True", "139.00581": "Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2"}, "num_peaks": "4", "compound_name": "Cyproconazole_2", "retention_time": 6.36811, "precursor_mz": 292.1225, "collision_energy": "", "peaks_json": [[89.03882, 144933.0], [125.01532, 8553550.0], [138.99483, 403028.0], [139.00581, 198856.0]]}, {"scannumber": "2657", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H19N3OCl2", "inchikey": "URDNHJIVMYZFRT-UHFFFAOYSA-N", "inchi": "", "smiles": "Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"122.99965": "Theoretical m/z 122.999605, Mass diff 0 (0.37 ppm), SMILES ClC=1C=CC=CC1C, Annotation [C7H7Cl-3H]+, Rule of HR True", "125.01532": "Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES ClC=1C=CC=CC1C, Annotation [C7H7Cl-H]+, Rule of HR True", "137.01562": "Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl", "158.97626": "Theoretical m/z 158.976276, Mass diff 0 (0.1 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C, Annotation [C7H6Cl2-H]+, Rule of HR True", "172.9556": "Theoretical m/z 172.956095, Mass diff 0 (0 ppm), Formula C7H3Cl2O", "172.99223": "Theoretical m/z 172.991932, Mass diff 0 (1.73 ppm), SMILES ClC1=CC=C(C(Cl)=C1)CC, Annotation [C8H8Cl2-H]+, Rule of HR True", "174.97104": "Theoretical m/z 174.971745, Mass diff 0 (0 ppm), Formula C7H5Cl2O", "186.97108": "Theoretical m/z 186.971745, Mass diff 0 (0 ppm), Formula C8H5Cl2O", "199.00793": "Theoretical m/z 199.008131, Mass diff 0 (0 ppm), Formula C10H9Cl2"}, "num_peaks": "11", "compound_name": "Diclobutrazol", "retention_time": 6.830443, "precursor_mz": 328.0983, "collision_energy": "", "peaks_json": [[122.99965, 485826.0], [125.01532, 529574.0], [137.01562, 496542.0], [158.97626, 45675696.0], [164.03891, 599051.0], [172.9556, 1689517.0], [172.99223, 1044544.0], [174.97104, 486149.0], [186.97108, 498843.0], [190.96622, 746907.0], [199.00793, 579087.0]]}, {"scannumber": "4342", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C19H17N3O3Cl2", "inchikey": "BQYJATMQXGBDHF-UHFFFAOYSA-N", "inchi": "", "smiles": "CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"129.07021": "Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9", "139.00626": "Theoretical m/z 139.006301, Mass diff -0.001 (0 ppm), Formula C6H4ClN2", "141.01048": "Theoretical m/z 141.010717, Mass diff 0 (0 ppm), Formula C7H6ClO", "153.07042": "Theoretical m/z 153.070425, Mass diff -0.001 (0 ppm), Formula C12H9", "181.06517": "Theoretical m/z 181.06534, Mass diff 0 (0 ppm), Formula C13H9O", "187.03149": "Theoretical m/z 187.031453, Mass diff -0.001 (0 ppm), Formula C12H8Cl", "215.02702": "Theoretical m/z 215.026368, Mass diff -0.001 (0 ppm), Formula C13H8ClO", "216.03418": "Theoretical m/z 216.03468, Mass diff 0 (0 ppm), Formula C10H12Cl2N", "223.00838": "Theoretical m/z 223.008131, Mass diff -0.001 (0 ppm), Formula C12H9Cl2", "251.0031": "Theoretical m/z 251.002491, Mass diff 0.001 (2.43 ppm), SMILES ClC1=CC=C(OC2=CC=C(C(Cl)=C2)C)C=C1, Annotation [C13H10Cl2O-H]+, Rule of HR True", "264.98291": "Theoretical m/z 264.981775, Mass diff 0.001 (4.28 ppm), SMILES ClC1=CC=C(OC2=CC=C(C(Cl)=C2)CO)C=C1, Annotation [C13H10Cl2O2-3H]+, Rule of HR True"}, "num_peaks": "13", "compound_name": "Difenoconazole", "retention_time": 7.351549, "precursor_mz": 406.0727, "collision_energy": "", "peaks_json": [[129.07021, 341601.0], [139.00626, 338485.0], [141.01048, 334473.0], [152.06247, 924840.0], [153.07042, 500230.0], [181.06517, 598188.0], [187.03149, 1315167.0], [188.03915, 3752594.0], [215.02702, 454036.0], [216.03418, 363614.0], [223.00838, 2665156.0], [251.0031, 32513990.0], [264.98291, 3756956.0]]}, {"scannumber": "3119", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H17N3OCl2", "inchikey": "FBOUIAKEJMZPQG-CQSZACIVSA-N", "inchi": "", "smiles": "Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"87.0807": "Theoretical m/z 87.08044, Mass diff 0 (2.98 ppm), SMILES OCC(C)(C)C, Annotation [C5H12O-H]+, Rule of HR True", "110.0716": "Theoretical m/z 110.071272, Mass diff 0 (2.98 ppm), SMILES N=1C=NN(C1)C(=C)C, Annotation [C5H7N3+H]+, Rule of HR True", "123.00002": "Theoretical m/z 122.999605, Mass diff 0 (3.38 ppm), SMILES ClC=1C=CC=CC1C, Annotation [C7H7Cl-3H]+, Rule of HR True", "137.01562": "Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl", "141.07028": "Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9", "143.08594": "Theoretical m/z 143.086075, Mass diff 0 (0 ppm), Formula C11H11", "145.0649": "Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O", "148.08749": "Theoretical m/z 148.086923, Mass diff 0.001 (3.83 ppm), SMILES N=1C=NN(C1)C(=C)CC(C)C, Annotation [C8H13N3-3H]+, Rule of HR True", "153.07042": "Theoretical m/z 153.070425, Mass diff -0.001 (0 ppm), Formula C12H9", "158.97679": "Theoretical m/z 158.976276, Mass diff 0.001 (3.23 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C, Annotation [C7H6Cl2-H]+, Rule of HR True", "165.01022": "Theoretical m/z 165.010717, Mass diff 0 (0 ppm), Formula C9H6ClO", "166.0183": "Theoretical m/z 166.01903, Mass diff 0 (0 ppm), Formula C6H10Cl2N", "169.10155": "Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13", "170.97658": "Theoretical m/z 170.976276, Mass diff 0 (1.78 ppm), SMILES ClC1=CC=C(C=C)C(Cl)=C1, Annotation [C8H6Cl2-H]+, Rule of HR True", "172.95621": "Theoretical m/z 172.956095, Mass diff -0.001 (0 ppm), Formula C7H3Cl2O", "172.96719": "Theoretical m/z 172.967328, Mass diff 0 (0 ppm), Formula C6H3Cl2N2", "172.99223": "Theoretical m/z 172.991926, Mass diff 0 (1.76 ppm), SMILES ClC1=CC=C(C=C)C(Cl)=C1, Annotation [C8H6Cl2+H]+, Rule of HR True", "175.0313": "Theoretical m/z 175.031453, Mass diff 0 (0 ppm), Formula C11H8Cl", "179.02609": "Theoretical m/z 179.026368, Mass diff 0 (0 ppm), Formula C10H8ClO", "180.03384": "Theoretical m/z 180.03468, Mass diff 0 (0 ppm), Formula C7H12Cl2N", "182.07175": "Theoretical m/z 182.071822, Mass diff 0 (0 ppm), Formula C11H8N3", "182.97643": "Theoretical m/z 182.976281, Mass diff 0 (0.81 ppm), SMILES ClC1=CC=C(C=CC)C(Cl)=C1, Annotation [C9H8Cl2-3H]+, Rule of HR True", "184.99236": "Theoretical m/z 184.991932, Mass diff 0 (2.32 ppm), SMILES ClC1=CC=C(C=CC)C(Cl)=C1, Annotation [C9H8Cl2-H]+, Rule of HR True", "185.98766": "Theoretical m/z 185.987186, Mass diff 0 (2.55 ppm), SMILES ClC1=CC=C(C=CN)C(Cl)=C1, Annotation [C8H7Cl2N-H]+, Rule of HR True", "189.0215": "Theoretical m/z 189.021951, Mass diff 0 (0 ppm), Formula C10H6ClN2", "189.04662": "Theoretical m/z 189.047103, Mass diff 0 (0 ppm), Formula C12H10Cl", "190.02985": "Theoretical m/z 190.029289, Mass diff -0.001 (0 ppm), Formula C13H4NO", "191.02502": "Theoretical m/z 191.024538, Mass diff -0.001 (0 ppm), Formula C12H3N2O", "193.04185": "Theoretical m/z 193.042018, Mass diff 0 (0 ppm), Formula C11H10ClO", "196.99208": "Theoretical m/z 196.992481, Mass diff 0 (0 ppm), Formula C10H7Cl2", "203.03725": "Theoretical m/z 203.037601, Mass diff 0 (0 ppm), Formula C11H8ClN2", "203.06287": "Theoretical m/z 203.062209, Mass diff 0.001 (3.25 ppm), SMILES ClC=1C=CC=CC1C=CCC(C)(C)C, Annotation [C13H17Cl-5H]+, Rule of HR True", "205.01678": "Theoretical m/z 205.016865, Mass diff 0 (0 ppm), Formula C10H6ClN2O", "207.0574": "Theoretical m/z 207.057668, Mass diff 0 (0 ppm), Formula C12H12ClO", "216.03247": "Theoretical m/z 216.032297, Mass diff 0 (0.8 ppm), SMILES ClC=1C=CC=CC1C=C(N2N=CN=C2)C, Annotation [C11H10ClN3-3H]+, Rule of HR True", "217.0407": "Theoretical m/z 217.040122, Mass diff 0.001 (2.67 ppm), SMILES ClC=1C=CC=CC1C=C(N2N=CN=C2)C, Annotation [C11H10ClN3-2H]+, Rule of HR False", "230.04839": "Theoretical m/z 230.0485, Mass diff 0 (0 ppm), Formula C12H9ClN3", "234.04297": "Theoretical m/z 234.042865, Mass diff 0 (0.45 ppm), SMILES ClC=1C=CC=CC1C=C(N2N=CN=C2)CO, Annotation [C11H10ClN3O-H]+, Rule of HR True", "240.0096": "Theoretical m/z 240.008985, Mass diff 0.001 (2.56 ppm), SMILES ClC1=CC=C(C=CN2N=CN=C2)C(Cl)=C1, Annotation [C10H7Cl2N3+H]+, Rule of HR True", "252.00932": "Theoretical m/z 252.008976, Mass diff 0 (1.37 ppm), SMILES ClC1=CC=C(C=C(N2N=CN=C2)C)C(Cl)=C1, Annotation [C11H9Cl2N3-H]+, Rule of HR True", "264.0097": "Theoretical m/z 264.009528, Mass diff -0.001 (0 ppm), Formula C12H8Cl2N3", "270.01987": "Theoretical m/z 270.019545, Mass diff 0 (1.21 ppm), SMILES ClC1=CC=C(C=C(N2N=CN=C2)CO)C(Cl)=C1, Annotation [C11H9Cl2N3O+H]+, Rule of HR True", "278.02554": "Theoretical m/z 278.024621, Mass diff 0.001 (3.3 ppm), SMILES ClC1=CC=C(C=C(N2N=CN=C2)CCC)C(Cl)=C1, Annotation [C13H13Cl2N3-3H]+, Rule of HR True"}, "num_peaks": "52", "compound_name": "Diniconazole", "retention_time": 6.999194, "precursor_mz": 326.0832, "collision_energy": "", "peaks_json": [[87.0807, 115189.0], [110.0716, 52760.0], [123.00002, 65949.0], [136.00755, 116731.0], [137.01562, 125799.0], [141.07028, 87788.0], [143.08594, 53581.0], [145.0649, 52799.0], [148.08749, 54447.0], [150.02344, 61653.0], [153.07042, 57255.0], [154.07816, 75541.0], [158.97679, 4013011.0], [162.0233, 223821.0], [164.03891, 43958.0], [165.01022, 141964.0], [166.0183, 79777.0], [169.10155, 324107.0], [170.97658, 348553.0], [172.95621, 929271.0], [172.96719, 160833.0], [172.99223, 196389.0], [175.0313, 83110.0], [176.03931, 389366.0], [179.02609, 125863.0], [180.03384, 98155.0], [182.07175, 55824.0], [182.97643, 126111.0], [184.99236, 46623.0], [185.98766, 43685.0], [189.0215, 81465.0], [189.04662, 463062.0], [190.02985, 105876.0], [191.02502, 124599.0], [193.04185, 237565.0], [196.99208, 133380.0], [203.03725, 47288.0], [203.06287, 40626.0], [204.07076, 337511.0], [205.01678, 42726.0], [207.0574, 131489.0], [209.9998, 62865.0], [216.03247, 187324.0], [217.0407, 287524.0], [224.01547, 69804.0], [230.04839, 54464.0], [234.04297, 67828.0], [240.0096, 86885.0], [252.00932, 126391.0], [264.0097, 43206.0], [270.01987, 48934.0], [278.02554, 102202.0]]}, {"scannumber": "3124", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H13N3OClF", "inchikey": "ZMYFCFLJBGAQRS-IAGOWNOFSA-N", "inchi": "", "smiles": "Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05464": "Theoretical m/z 91.054226, Mass diff 0 (4.55 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "101.03878": "Theoretical m/z 101.039125, Mass diff 0 (0 ppm), Formula C8H5", "113.01572": "Theoretical m/z 113.015257, Mass diff 0 (4.1 ppm), SMILES ClC=1C=CC=CC1, Annotation [C6H5Cl+H]+, Rule of HR True", "113.04023": "Theoretical m/z 113.040268, Mass diff -0.001 (0 ppm), Formula C6H6FO", "119.04978": "Theoretical m/z 119.04969, Mass diff -0.001 (0 ppm), Formula C8H7O", "121.04521": "Theoretical m/z 121.044809, Mass diff 0 (3.32 ppm), SMILES FC1=CC=C(C=C1)CC, Annotation [C8H9F-3H]+, Rule of HR True", "123.02455": "Theoretical m/z 123.024072, Mass diff 0 (3.89 ppm), SMILES FC1=CC=C(C=C1)CO, Annotation [C7H7FO-3H]+, Rule of HR True", "129.04501": "Theoretical m/z 129.045273, Mass diff 0 (0 ppm), Formula C8H5N2", "138.99483": "Theoretical m/z 138.994516, Mass diff 0 (2.26 ppm), SMILES ClC=1C=CC=CC1CO, Annotation [C7H7ClO-3H]+, Rule of HR True", "141.01048": "Theoretical m/z 141.010166, Mass diff 0 (2.23 ppm), SMILES ClC=1C=CC=CC1CO, Annotation [C7H7ClO-H]+, Rule of HR True"}, "num_peaks": "12", "compound_name": "Epoxiconazole", "retention_time": 6.999194, "precursor_mz": 330.0806, "collision_energy": "", "peaks_json": [[91.05464, 783917.0], [101.03878, 454726.0], [113.01572, 623551.0], [113.04023, 604178.0], [119.04978, 1591248.0], [121.04307, 362239.0], [121.04521, 27069946.0], [123.02455, 5942544.0], [123.03517, 2030362.0], [129.04501, 7068444.0], [138.99483, 468356.0], [141.01048, 1219612.0]]}, {"scannumber": "2581", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H15N3O2Cl2", "inchikey": "DWRKFAJEBUWTQM-UHFFFAOYSA-N", "inchi": "", "smiles": "CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"122.99965": "Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl", "125.01532": "Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl", "137.01562": "Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl", "158.97626": "Theoretical m/z 158.976276, Mass diff 0 (0.1 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C, Annotation [C7H6Cl2-H]+, Rule of HR True", "172.9556": "Theoretical m/z 172.955545, Mass diff 0 (0.32 ppm), SMILES ClC1=CC=C(C(Cl)=C1)CO, Annotation [C7H6Cl2O-3H]+, Rule of HR True", "172.99223": "Theoretical m/z 172.991932, Mass diff 0 (1.73 ppm), SMILES ClC1=CC=C(C(Cl)=C1)CC, Annotation [C8H8Cl2-H]+, Rule of HR True", "174.97166": "Theoretical m/z 174.971195, Mass diff 0 (2.66 ppm), SMILES ClC1=CC=C(C(Cl)=C1)CO, Annotation [C7H6Cl2O-H]+, Rule of HR True", "190.96622": "Theoretical m/z 190.966114, Mass diff 0 (0.56 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C(O)O, Annotation [C7H6Cl2O2-H]+, Rule of HR True", "199.00793": "Theoretical m/z 199.008131, Mass diff 0 (0 ppm), Formula C10H9Cl2"}, "num_peaks": "10", "compound_name": "Etaconazole", "retention_time": 6.802904, "precursor_mz": 328.0626, "collision_energy": "", "peaks_json": [[122.99965, 480348.0], [125.01532, 599928.0], [137.01562, 455760.0], [158.97626, 39434140.0], [164.03891, 610435.0], [172.9556, 1469728.0], [172.99223, 970218.0], [174.97166, 597883.0], [190.96622, 527039.0], [199.00793, 567443.0]]}, {"scannumber": "1043", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H19N3O", "inchikey": "BBXXLROWFHWFQY-UHFFFAOYSA-N", "inchi": "", "smiles": "CCCCc1c(O)nc(=NCC)[nH]c1C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"93.07027": "Theoretical m/z 93.069877, Mass diff 0 (4.23 ppm), SMILES C=C(C)CCCC, Annotation [C7H14-5H]+, Rule of HR True", "95.06072": "Theoretical m/z 95.060375, Mass diff 0 (3.63 ppm), SMILES N1=CC=C(NC1)C, Annotation [C5H8N2-H]+, Rule of HR True", "95.08585": "Theoretical m/z 95.085527, Mass diff 0 (3.4 ppm), SMILES C(=CCCCC)C, Annotation [C7H14-3H]+, Rule of HR True", "96.0446": "Theoretical m/z 96.044389, Mass diff 0 (2.2 ppm), SMILES N=C(O)C(=CC)C, Annotation [C5H9NO-3H]+, Rule of HR True", "97.03999": "Theoretical m/z 97.039636, Mass diff 0 (3.65 ppm), SMILES OC=NC=NCC, Annotation [C4H8N2O-3H]+, Rule of HR True", "98.06031": "Theoretical m/z 98.060039, Mass diff 0 (2.76 ppm), SMILES N=C(O)C(=CC)C, Annotation [C5H9NO-H]+, Rule of HR True", "105.07019": "Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9", "107.07314": "Theoretical m/z 107.072949, Mass diff 0 (1.79 ppm), SMILES N=CC(=C)CCCC, Annotation [C7H13N-4H]+, Rule of HR False", "109.0761": "Theoretical m/z 109.076021, Mass diff 0 (0.73 ppm), SMILES N(=CNC(=C)C)CC, Annotation [C6H12N2-3H]+, Rule of HR True", "110.06044": "Theoretical m/z 110.060037, Mass diff 0 (3.66 ppm), SMILES N=C(O)C(=CC)CC, Annotation [C6H11NO-3H]+, Rule of HR True", "110.0716": "Theoretical m/z 110.071272, Mass diff 0 (2.98 ppm), SMILES N=C1N=CC=C(N1)C, Annotation [C5H7N3+H]+, Rule of HR True", "110.09671": "Theoretical m/z 110.096422, Mass diff 0 (2.62 ppm), SMILES NC(=CCCCC)C, Annotation [C7H15N-3H]+, Rule of HR True", "112.11221": "Theoretical m/z 112.112072, Mass diff 0 (1.23 ppm), SMILES NC(=CCCCC)C, Annotation [C7H15N-H]+, Rule of HR True", "114.06642": "Theoretical m/z 114.066188, Mass diff 0 (2.03 ppm), SMILES OC=NC(=NCC)N, Annotation [C4H9N3O-H]+, Rule of HR True", "120.081": "Theoretical m/z 120.080771, Mass diff 0 (1.9 ppm), SMILES N=CC(=CC)CCCC, Annotation [C8H15N-5H]+, Rule of HR True", "122.07138": "Theoretical m/z 122.07127, Mass diff 0 (0.9 ppm), SMILES N1=CC=C(NC1=NC)C, Annotation [C6H9N3-H]+, Rule of HR True", "122.09672": "Theoretical m/z 122.096422, Mass diff 0 (2.44 ppm), SMILES N=CC(=CC)CCCC, Annotation [C8H15N-3H]+, Rule of HR True", "123.05569": "Theoretical m/z 123.055292, Mass diff 0 (3.24 ppm), SMILES OC1=NCNC(=C1C)C, Annotation [C6H10N2O-3H]+, Rule of HR True", "138.06627": "Theoretical m/z 138.066181, Mass diff 0 (0.65 ppm), SMILES OC1=NC(=NC)NC(=C1)C, Annotation [C6H9N3O-H]+, Rule of HR True", "140.10709": "Theoretical m/z 140.106983, Mass diff 0 (0.76 ppm), SMILES N=C(O)C(=CC)CCCC, Annotation [C8H15NO-H]+, Rule of HR True", "150.10286": "Theoretical m/z 150.102573, Mass diff 0 (1.91 ppm), SMILES N=C1N=CC(=CN1)CCCC, Annotation [C8H13N3-H]+, Rule of HR True", "152.08211": "Theoretical m/z 152.081836, Mass diff 0 (1.8 ppm), SMILES OC1=NC(=NCC)NC(=C1)C, Annotation [C7H11N3O-H]+, Rule of HR True", "165.10242": "Theoretical m/z 165.102243, Mass diff 0 (1.07 ppm), SMILES N=CN=C(O)C(=CC)CCCC, Annotation [C9H16N2O-3H]+, Rule of HR True", "166.09755": "Theoretical m/z 166.097492, Mass diff 0 (0.35 ppm), SMILES N=C1N=C(O)C(=CN1)CCCC, Annotation [C8H13N3O-H]+, Rule of HR True", "182.12912": "Theoretical m/z 182.128782, Mass diff 0 (1.85 ppm), SMILES N=C1N=C(O)C(=C(N1)C)CCCC, Annotation [C9H15N3O+H]+, Rule of HR True", "193.13402": "Theoretical m/z 193.133539, Mass diff 0 (2.49 ppm), SMILES OC(=NC=NCC)C(=CC)CCCC, Annotation [C11H20N2O-3H]+, Rule of HR True", "210.15997": "Theoretical m/z 210.160093, Mass diff 0 (0.59 ppm), SMILES OC1=NC(=NCC)NC(=C1CCCC)C, Annotation [C11H19N3O+H]+, Rule of HR True"}, "num_peaks": "32", "compound_name": "Ethirimol", "retention_time": 2.246086, "precursor_mz": 210.1608, "collision_energy": "", "peaks_json": [[93.07027, 325229.0], [95.06072, 869968.0], [95.08585, 891568.0], [96.0446, 781962.0], [97.03999, 1008744.0], [98.06031, 16588468.0], [105.07019, 215544.0], [107.07314, 1858556.0], [109.0761, 345145.0], [110.06044, 242964.0], [110.0716, 341679.0], [110.09671, 170712.0], [111.07922, 353713.0], [112.11221, 261603.0], [114.06642, 269861.0], [120.081, 391118.0], [122.07138, 761007.0], [122.08405, 230087.0], [122.09672, 693029.0], [123.05569, 456004.0], [124.06344, 347297.0], [138.06627, 3057256.0], [139.07446, 2046408.0], [140.10709, 14705233.0], [150.10286, 1256237.0], [152.08211, 570565.0], [165.10242, 2897067.0], [166.09755, 407251.0], [167.10577, 1091732.0], [182.12912, 2661313.0], [193.13402, 1554662.0], [210.15997, 2414378.0]]}, {"scannumber": "2543", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C14H17N3OCl2", "inchikey": "STMIIPIFODONDC-AWEZNQCLSA-N", "inchi": "", "smiles": "CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"115.05463": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "123.00002": "Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl", "125.0157": "Theoretical m/z 125.015803, Mass diff 0 (0 ppm), Formula C7H6Cl", "129.01041": "Theoretical m/z 129.010717, Mass diff 0 (0 ppm), Formula C6H6ClO", "139.00626": "Theoretical m/z 139.006301, Mass diff -0.001 (0 ppm), Formula C6H4ClN2", "146.97656": "Theoretical m/z 146.976286, Mass diff 0 (1.87 ppm), SMILES ClC1=CC=CC(Cl)=C1, Annotation [C6H4Cl2+H]+, Rule of HR True", "149.01559": "Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl", "153.01047": "Theoretical m/z 153.010717, Mass diff 0 (0 ppm), Formula C8H6ClO", "158.97679": "Theoretical m/z 158.976276, Mass diff 0.001 (3.23 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C, Annotation [C7H6Cl2-H]+, Rule of HR True", "170.97658": "Theoretical m/z 170.976281, Mass diff 0 (1.75 ppm), SMILES ClC1=CC=C(C(Cl)=C1)CC, Annotation [C8H8Cl2-3H]+, Rule of HR True", "172.99223": "Theoretical m/z 172.991932, Mass diff 0 (1.73 ppm), SMILES ClC1=CC=C(C(Cl)=C1)CC, Annotation [C8H8Cl2-H]+, Rule of HR True", "174.97166": "Theoretical m/z 174.971195, Mass diff 0 (2.66 ppm), SMILES ClC1=CC=C(C(Cl)=C1)CO, Annotation [C7H6Cl2O-H]+, Rule of HR True", "184.99236": "Theoretical m/z 184.991937, Mass diff 0 (2.29 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C(C)C, Annotation [C9H10Cl2-3H]+, Rule of HR True", "188.98734": "Theoretical m/z 188.98685, Mass diff 0 (2.59 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C(O)C, Annotation [C8H8Cl2O-H]+, Rule of HR True"}, "num_peaks": "16", "compound_name": "Hexaconazole", "retention_time": 6.793731, "precursor_mz": 314.0833, "collision_energy": "", "peaks_json": [[115.05463, 149487.0], [123.00002, 104704.0], [125.0157, 1580755.0], [129.01041, 156034.0], [136.00755, 162737.0], [139.00626, 458884.0], [146.97656, 554008.0], [149.01559, 424582.0], [150.02344, 1003022.0], [153.01047, 351412.0], [158.97679, 7629371.0], [170.97658, 545468.0], [172.99223, 112377.0], [174.97166, 740773.0], [184.99236, 690533.0], [188.98734, 151249.0]]}, {"scannumber": "3476", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C18H24N3OCl", "inchikey": "QTYCMDBMOLSEAM-UHFFFAOYSA-N", "inchi": "", "smiles": "CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.038575, Mass diff 0 (2.75 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-3H]+, Rule of HR True", "95.08585": "Theoretical m/z 95.085525, Mass diff 0 (3.42 ppm), SMILES CCCCC(C)C, Annotation [C7H16-5H]+, Rule of HR True", "109.10148": "Theoretical m/z 109.101175, Mass diff 0 (2.8 ppm), SMILES CC(C)C1CCCC1, Annotation [C8H16-3H]+, Rule of HR True", "115.05463": "Theoretical m/z 115.054229, Mass diff 0 (3.49 ppm), SMILES C=1C=CC(=CC1)CCC, Annotation [C9H12-5H]+, Rule of HR True", "116.06245": "Theoretical m/z 116.062054, Mass diff 0 (3.41 ppm), SMILES C=1C=CC(=CC1)CCC, Annotation [C9H12-4H]+, Rule of HR False", "125.01532": "Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True", "128.06239": "Theoretical m/z 128.062044, Mass diff 0 (2.7 ppm), SMILES C=1C=CC(=CC1)CCCC, Annotation [C10H14-6H]+, Rule of HR False", "139.03134": "Theoretical m/z 139.030903, Mass diff 0 (3.15 ppm), SMILES ClC1=CC=C(C=C1)CC, Annotation [C8H9Cl-H]+, Rule of HR True", "149.01559": "Theoretical m/z 149.015258, Mass diff 0 (2.23 ppm), SMILES ClC1=CC=C(C=C1)CCC, Annotation [C9H11Cl-5H]+, Rule of HR True", "151.03107": "Theoretical m/z 151.030908, Mass diff 0 (1.07 ppm), SMILES ClC1=CC=C(C=C1)CCC, Annotation [C9H11Cl-3H]+, Rule of HR True", "155.06064": "Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2", "163.0309": "Theoretical m/z 163.030898, Mass diff 0 (0.01 ppm), SMILES ClC1=CC=C(C=C1)CCCC, Annotation [C10H13Cl-5H]+, Rule of HR True", "165.04663": "Theoretical m/z 165.046548, Mass diff 0 (0.5 ppm), SMILES ClC1=CC=C(C=C1)CCCC, Annotation [C10H13Cl-3H]+, Rule of HR True", "177.04655": "Theoretical m/z 177.046554, Mass diff 0 (0.02 ppm), SMILES ClC1=CC=C(C=C1)CCCCC, Annotation [C11H15Cl-5H]+, Rule of HR True", "191.06258": "Theoretical m/z 191.062204, Mass diff 0 (1.97 ppm), SMILES ClC1=CC=C(C=C1)CC2CCCC2, Annotation [C12H15Cl-3H]+, Rule of HR True"}, "num_peaks": "18", "compound_name": "Ipconazole", "retention_time": 7.112235, "precursor_mz": 334.1694, "collision_energy": "", "peaks_json": [[89.03882, 79221.0], [95.08585, 152078.0], [109.10148, 351087.0], [115.05463, 110112.0], [116.06245, 125067.0], [125.01532, 7756546.0], [128.06239, 168573.0], [130.078, 83461.0], [139.03134, 219182.0], [142.07797, 176298.0], [149.01559, 120448.0], [151.03107, 544953.0], [155.06064, 99629.0], [156.09335, 164234.0], [163.0309, 672001.0], [165.04663, 173374.0], [177.04655, 269267.0], [191.06258, 291856.0]]}, {"scannumber": "3161", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H22N3OCl", "inchikey": "XWPZUHJBOLQNMN-UHFFFAOYSA-N", "inchi": "", "smiles": "OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"95.08585": "Theoretical m/z 95.085527, Mass diff 0 (3.4 ppm), SMILES CC1(C)CCCC1, Annotation [C7H14-3H]+, Rule of HR True", "107.08563": "Theoretical m/z 107.085525, Mass diff 0 (0.98 ppm), SMILES CC1CCCC1(C)C, Annotation [C8H16-5H]+, Rule of HR True", "125.01532": "Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True", "128.06239": "Theoretical m/z 128.062044, Mass diff 0 (2.7 ppm), SMILES C=1C=CC(=CC1)CCCC, Annotation [C10H14-6H]+, Rule of HR False", "139.0309": "Theoretical m/z 139.030903, Mass diff 0 (0.02 ppm), SMILES ClC1=CC=C(C=C1)CC, Annotation [C8H9Cl-H]+, Rule of HR True", "141.07028": "Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9", "151.03107": "Theoretical m/z 151.030908, Mass diff 0 (1.07 ppm), SMILES ClC1=CC=C(C=C1)CCC, Annotation [C9H11Cl-3H]+, Rule of HR True", "163.0309": "Theoretical m/z 163.030898, Mass diff 0 (0.01 ppm), SMILES ClC1=CC=C(C=C1)CCCC, Annotation [C10H13Cl-5H]+, Rule of HR True", "165.04663": "Theoretical m/z 165.046548, Mass diff 0 (0.5 ppm), SMILES ClC1=CC=C(C=C1)CCCC, Annotation [C10H13Cl-3H]+, Rule of HR True", "177.04655": "Theoretical m/z 177.046554, Mass diff 0 (0.02 ppm), SMILES ClC1=CC=C(C=C1)CC(C)CC, Annotation [C11H15Cl-5H]+, Rule of HR True", "191.06258": "Theoretical m/z 191.062209, Mass diff 0 (1.94 ppm), SMILES ClC1=CC=C(C=C1)CCCCCC, Annotation [C12H17Cl-5H]+, Rule of HR True"}, "num_peaks": "13", "compound_name": "Metconazole", "retention_time": 7.017605, "precursor_mz": 320.1538, "collision_energy": "", "peaks_json": [[95.08585, 468079.0], [107.08563, 155599.0], [125.01532, 7873925.0], [128.06239, 109318.0], [139.0309, 414801.0], [141.07028, 83342.0], [142.07797, 413140.0], [151.03107, 437268.0], [156.09335, 90865.0], [163.0309, 398692.0], [165.04663, 82686.0], [177.04655, 645875.0], [191.06258, 194319.0]]}, {"scannumber": "1883", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H12N2OClF", "inchikey": "SAPGTCDSBGMXCD-KRWDZBQOSA-N", "inchi": "", "smiles": "Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"113.03991": "Theoretical m/z 113.040268, Mass diff 0 (0 ppm), Formula C6H6FO", "123.02419": "Theoretical m/z 123.024072, Mass diff 0 (0.96 ppm), SMILES FC1=CC=C(C=C1)CO, Annotation [C7H7FO-3H]+, Rule of HR True", "123.03554": "Theoretical m/z 123.035851, Mass diff 0 (0 ppm), Formula C6H4FN2", "128.04956": "Theoretical m/z 128.050024, Mass diff 0 (0 ppm), Formula C9H6N", "129.01041": "Theoretical m/z 129.010717, Mass diff 0 (0 ppm), Formula C6H6ClO", "133.0451": "Theoretical m/z 133.044809, Mass diff 0 (2.19 ppm), SMILES FC1=CC=C(C=C1)CC=C, Annotation [C9H9F-3H]+, Rule of HR True", "138.99483": "Theoretical m/z 138.994516, Mass diff 0 (2.26 ppm), SMILES ClC=1C=CC=CC1CO, Annotation [C7H7ClO-3H]+, Rule of HR True", "139.00581": "Theoretical m/z 139.006301, Mass diff 0 (0 ppm), Formula C6H4ClN2", "140.02657": "Theoretical m/z 140.026702, Mass diff 0 (0 ppm), Formula C7H7ClN", "146.06032": "Theoretical m/z 146.060589, Mass diff 0 (0 ppm), Formula C9H8NO", "148.05606": "Theoretical m/z 148.055703, Mass diff 0 (2.41 ppm), SMILES FC1=CC=C(C=C1)CCC=N, Annotation [C9H10FN-3H]+, Rule of HR True", "149.01559": "Theoretical m/z 149.015252, Mass diff 0 (2.27 ppm), SMILES ClC=1C=CC=CC1CC=C, Annotation [C9H9Cl-3H]+, Rule of HR True", "155.06064": "Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2", "156.06824": "Theoretical m/z 156.068748, Mass diff 0 (0 ppm), Formula C10H8N2", "157.07619": "Theoretical m/z 157.076573, Mass diff 0 (0 ppm), Formula C10H9N2", "164.0265": "Theoretical m/z 164.026147, Mass diff 0 (2.15 ppm), SMILES ClC=1C=CC=CC1CCC=N, Annotation [C9H10ClN-3H]+, Rule of HR True", "175.06673": "Theoretical m/z 175.066598, Mass diff 0 (0.75 ppm), SMILES FC1=CC=C(C=C1)CCC=NC=N, Annotation [C10H11FN2-3H]+, Rule of HR True", "176.05058": "Theoretical m/z 176.050622, Mass diff 0 (0.24 ppm), SMILES FC1=CC=C(C=C1)C(O)C(=C)C=N, Annotation [C10H10FNO-3H]+, Rule of HR True", "177.06996": "Theoretical m/z 177.070425, Mass diff 0 (0 ppm), Formula C14H9", "183.0555": "Theoretical m/z 183.055292, Mass diff 0 (1.14 ppm), SMILES OC(C=1C=NC=NC1)C=2C=CC=CC2, Annotation [C11H10N2O-3H]+, Rule of HR True", "183.06081": "Theoretical m/z 183.060449, Mass diff 0 (1.97 ppm), SMILES FC1=CC=C(C=C1)CC=2C=CC=CC2, Annotation [C13H11F-3H]+, Rule of HR True", "197.07671": "Theoretical m/z 197.076104, Mass diff 0.001 (3.07 ppm), SMILES FC1=CC=C(C=C1)C(C=2C=CC=CC2)C, Annotation [C14H13F-3H]+, Rule of HR True", "203.0621": "Theoretical m/z 203.061512, Mass diff 0.001 (2.9 ppm), SMILES FC1=CC=C(C=C1)C(O)C=2C=NC=NC2, Annotation [C11H9FN2O-H]+, Rule of HR True", "204.08092": "Theoretical m/z 204.081324, Mass diff 0 (0 ppm), Formula C15H10N", "205.06487": "Theoretical m/z 205.06534, Mass diff 0 (0 ppm), Formula C15H9O", "207.06059": "Theoretical m/z 207.060454, Mass diff 0 (0.65 ppm), SMILES FC1=CC=C(C=C1)C(C=C)C=2C=CC=CC2, Annotation [C15H13F-5H]+, Rule of HR True", "209.07669": "Theoretical m/z 209.076104, Mass diff 0.001 (2.8 ppm), SMILES FC1=CC=C(C=C1)C(C=C)C=2C=CC=CC2, Annotation [C15H13F-3H]+, Rule of HR True", "217.0218": "Theoretical m/z 217.021478, Mass diff 0 (1.48 ppm), SMILES FC1=CC=C(C=C1)CC=2C=CC=CC2Cl, Annotation [C13H10ClF-3H]+, Rule of HR True", "219.03754": "Theoretical m/z 219.037128, Mass diff 0 (1.88 ppm), SMILES FC1=CC=C(C=C1)CC=2C=CC=CC2Cl, Annotation [C13H10ClF-H]+, Rule of HR True", "222.07198": "Theoretical m/z 222.071349, Mass diff 0.001 (2.84 ppm), SMILES FC1=CC=C(C=C1)C(C=2C=CC=CC2)CC=N, Annotation [C15H14FN-5H]+, Rule of HR True", "223.03162": "Theoretical m/z 223.030898, Mass diff 0.001 (3.24 ppm), SMILES ClC=1C=CC=CC1C(C=C)C=2C=CC=CC2, Annotation [C15H13Cl-5H]+, Rule of HR True", "224.08748": "Theoretical m/z 224.086999, Mass diff 0 (2.15 ppm), SMILES FC1=CC=C(C=C1)C(C=2C=CC=CC2)CC=N, Annotation [C15H14FN-3H]+, Rule of HR True", "225.07111": "Theoretical m/z 225.071023, Mass diff 0 (0.39 ppm), SMILES FC1=CC=C(C=C1)C(O)(C=C)C=2C=CC=CC2, Annotation [C15H13FO-3H]+, Rule of HR True", "231.03761": "Theoretical m/z 231.037134, Mass diff 0 (2.06 ppm), SMILES FC1=CC=C(C=C1)C(C=2C=CC=CC2Cl)C, Annotation [C14H12ClF-3H]+, Rule of HR True", "232.07594": "Theoretical m/z 232.076239, Mass diff 0 (0 ppm), Formula C16H10NO", "234.07179": "Theoretical m/z 234.071349, Mass diff 0 (1.88 ppm), SMILES FC1=CC=C(C=C1)C(C(=C)C=N)C=2C=CC=CC2, Annotation [C16H14FN-5H]+, Rule of HR True", "235.032": "Theoretical m/z 235.032047, Mass diff 0 (0.2 ppm), SMILES FC1=CC=C(C=C1)C(O)C=2C=CC=CC2Cl, Annotation [C13H10ClFO-H]+, Rule of HR True", "235.05521": "Theoretical m/z 235.055918, Mass diff 0 (0 ppm), Formula C16H8FO", "236.06332": "Theoretical m/z 236.063188, Mass diff 0 (0.56 ppm), SMILES FC1=CC=C(C=C1)C(O)(C=2C=CC=CC2)C(=C)C, Annotation [C16H15FO-6H]+, Rule of HR False", "243.03766": "Theoretical m/z 243.037134, Mass diff 0.001 (2.17 ppm), SMILES FC1=CC=C(C=C1)C(C=C)C=2C=CC=CC2Cl, Annotation [C15H12ClF-3H]+, Rule of HR True", "250.06654": "Theoretical m/z 250.066268, Mass diff 0 (1.09 ppm), SMILES FC1=CC=C(C=C1)C(O)(C(=C)C=N)C=2C=CC=CC2, Annotation [C16H14FNO-5H]+, Rule of HR True", "251.07462": "Theoretical m/z 251.074093, Mass diff 0.001 (2.1 ppm), SMILES FC1=CC=C(C=C1)C(O)(C(=C)C=N)C=2C=CC=CC2, Annotation [C16H14FNO-4H]+, Rule of HR False", "251.0981": "Theoretical m/z 251.097909, Mass diff 0 (0.76 ppm), SMILES FC1=CC=C(C=C1)C(C=2C=CC=CC2)CC=NC=N, Annotation [C16H15FN2-3H]+, Rule of HR True", "252.08234": "Theoretical m/z 252.081918, Mass diff 0 (1.67 ppm), SMILES FC1=CC=C(C=C1)C(O)(C(=C)C=N)C=2C=CC=CC2, Annotation [C16H14FNO-3H]+, Rule of HR True", "260.06421": "Theoretical m/z 260.063678, Mass diff 0.001 (2.04 ppm), SMILES FC1=CC=C(C=C1)C(C=2C=CC=CC2Cl)CC=N, Annotation [C15H13ClFN-H]+, Rule of HR True", "261.08243": "Theoretical m/z 261.082239, Mass diff 0 (0.73 ppm), SMILES FC1=CC=C(C=C1)C(C=2C=NC=NC2)C=3C=CC=CC3, Annotation [C17H13FN2-3H]+, Rule of HR True", "263.09796": "Theoretical m/z 263.097889, Mass diff 0 (0.27 ppm), SMILES FC1=CC=C(C=C1)C(C=2C=NC=NC2)C=3C=CC=CC3, Annotation [C17H13FN2-H]+, Rule of HR True", "270.04846": "Theoretical m/z 270.048028, Mass diff 0 (1.6 ppm), SMILES FC1=CC=C(C=C1)C(C(=C)C=N)C=2C=CC=CC2Cl, Annotation [C16H13ClFN-3H]+, Rule of HR True"}, "num_peaks": "59", "compound_name": "Nuarimol", "retention_time": 6.452959, "precursor_mz": 315.0705, "collision_energy": "", "peaks_json": [[113.03991, 15277.0], [123.02419, 689099.0], [123.03554, 68936.0], [128.04956, 14564.0], [129.01041, 14843.0], [133.0451, 22041.0], [138.99483, 1332636.0], [139.00581, 94456.0], [140.02657, 19300.0], [146.06032, 14189.0], [148.05606, 39683.0], [149.01559, 14981.0], [155.06064, 19858.0], [156.06824, 55221.0], [157.07619, 36997.0], [164.0265, 18608.0], [175.06673, 21221.0], [176.05058, 19072.0], [177.06996, 49682.0], [183.0555, 30209.0], [183.06081, 88118.0], [184.06332, 19768.0], [184.06868, 59202.0], [196.06854, 97299.0], [197.07671, 61139.0], [203.0621, 35166.0], [204.06998, 19803.0], [204.08092, 49291.0], [205.06487, 29754.0], [207.06059, 882384.0], [208.0686, 634275.0], [209.07669, 25592.0], [217.0218, 165488.0], [219.03754, 41019.0], [222.07198, 384808.0], [223.03162, 30017.0], [223.0799, 43854.0], [224.08748, 416242.0], [225.07111, 247098.0], [225.09467, 22048.0], [231.03761, 14704.0], [232.07594, 99246.0], [234.07179, 197210.0], [235.032, 192527.0], [235.05521, 28642.0], [235.07939, 264307.0], [236.06332, 486776.0], [242.08463, 14147.0], [243.03766, 1030291.0], [250.06654, 105369.0], [251.07462, 143926.0], [251.0981, 73184.0], [252.08234, 1413294.0], [260.06421, 35847.0], [261.08243, 111553.0], [262.0907, 121243.0], [263.09796, 32958.0], [269.04013, 16405.0], [270.04846, 16960.0]]}, {"scannumber": "1764", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H20N3OCl", "inchikey": "RMOGWMIKYWRTKW-UONOGXRCSA-N", "inchi": "", "smiles": "OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"87.0807": "Theoretical m/z 87.08044, Mass diff 0 (2.98 ppm), SMILES OCC(C)(C)C, Annotation [C5H12O-H]+, Rule of HR True", "89.03882": "Theoretical m/z 89.038575, Mass diff 0 (2.75 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-3H]+, Rule of HR True", "91.05441": "Theoretical m/z 91.054226, Mass diff 0 (2.03 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "95.04928": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "102.04659": "Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6", "103.05439": "Theoretical m/z 103.054775, Mass diff 0 (0 ppm), Formula C8H7", "113.0154": "Theoretical m/z 113.015257, Mass diff 0 (1.27 ppm), SMILES ClC=1C=CC=CC1, Annotation [C6H5Cl+H]+, Rule of HR True", "115.0543": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "116.06211": "Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8", "125.01532": "Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True", "129.07021": "Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9", "137.01562": "Theoretical m/z 137.015252, Mass diff 0 (2.68 ppm), SMILES ClC1=CC=C(C=C1)CC, Annotation [C8H9Cl-3H]+, Rule of HR True", "139.0309": "Theoretical m/z 139.030903, Mass diff 0 (0.02 ppm), SMILES ClC1=CC=C(C=C1)CC, Annotation [C8H9Cl-H]+, Rule of HR True", "141.01048": "Theoretical m/z 141.010717, Mass diff 0 (0 ppm), Formula C7H6ClO", "151.03107": "Theoretical m/z 151.030908, Mass diff 0 (1.07 ppm), SMILES ClC1=CC=C(C=C1)CCC, Annotation [C9H11Cl-3H]+, Rule of HR True", "165.04663": "Theoretical m/z 165.047103, Mass diff 0 (0 ppm), Formula C10H10Cl"}, "num_peaks": "22", "compound_name": "Paclobutrazol", "retention_time": 6.358851, "precursor_mz": 294.1362, "collision_energy": "", "peaks_json": [[87.0807, 394679.0], [89.03882, 144548.0], [91.05441, 100589.0], [95.04928, 72012.0], [102.04659, 60868.0], [103.05439, 512214.0], [113.0154, 191248.0], [115.0543, 61507.0], [116.06211, 61856.0], [125.01532, 6037114.0], [126.01882, 85997.0], [127.01254, 4019573.0], [129.07021, 226797.0], [130.078, 602958.0], [137.01562, 331896.0], [139.0309, 780894.0], [140.99162, 137268.0], [141.00285, 65567.0], [141.01048, 108664.0], [151.03107, 202825.0], [165.04663, 986782.0], [173.50876, 86407.0]]}, {"scannumber": "2459", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C13H15N3Cl2", "inchikey": "WKBPZYKAUNRMKP-JTQLQIEISA-N", "inchi": "", "smiles": "CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"102.04659": "Theoretical m/z 102.04695, Mass diff 0 (0 ppm), Formula C8H6", "122.99965": "Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl", "137.01562": "Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl", "158.97626": "Theoretical m/z 158.976276, Mass diff 0 (0.1 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C, Annotation [C7H6Cl2-H]+, Rule of HR True", "172.99223": "Theoretical m/z 172.991932, Mass diff 0 (1.73 ppm), SMILES ClC1=CC=C(C(Cl)=C1)CC, Annotation [C8H8Cl2-H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Penconazole", "retention_time": 6.747501, "precursor_mz": 284.0724, "collision_energy": "", "peaks_json": [[102.04659, 746383.0], [122.99965, 1405085.0], [137.01562, 2859486.0], [158.97626, 62049868.0], [172.99223, 3885430.0]]}, {"scannumber": "3131", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H17N3O2Cl2", "inchikey": "STJLVHWMYQXCPB-UHFFFAOYSA-N", "inchi": "", "smiles": "CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"122.99965": "Theoretical m/z 123.000153, Mass diff 0 (0 ppm), Formula C7H4Cl", "158.97626": "Theoretical m/z 158.976276, Mass diff 0 (0.1 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C, Annotation [C7H6Cl2-H]+, Rule of HR True", "172.9556": "Theoretical m/z 172.955545, Mass diff 0 (0.32 ppm), SMILES ClC1=CC=C(C(Cl)=C1)CO, Annotation [C7H6Cl2O-3H]+, Rule of HR True", "186.97108": "Theoretical m/z 186.9712, Mass diff 0 (0.64 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C(O)C, Annotation [C8H8Cl2O-3H]+, Rule of HR True", "190.96622": "Theoretical m/z 190.966114, Mass diff 0 (0.56 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C(O)O, Annotation [C7H6Cl2O2-H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Propiconazole", "retention_time": 6.999194, "precursor_mz": 342.0777, "collision_energy": "", "peaks_json": [[122.99965, 303053.0], [158.97626, 24240670.0], [172.9556, 1323126.0], [186.97108, 391981.0], [190.96622, 431621.0]]}, {"scannumber": "2993", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C16H22N3OCl", "inchikey": "PXMNMQRDXWABCY-INIZCTEOSA-N", "inchi": "", "smiles": "Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.038575, Mass diff 0 (2.75 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-3H]+, Rule of HR True", "103.05439": "Theoretical m/z 103.054223, Mass diff 0 (1.62 ppm), SMILES C=1C=CC(=CC1)CC, Annotation [C8H10-3H]+, Rule of HR True", "115.0543": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "116.06211": "Theoretical m/z 116.0626, Mass diff 0 (0 ppm), Formula C9H8", "125.01532": "Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True", "129.07021": "Theoretical m/z 129.070425, Mass diff 0 (0 ppm), Formula C10H9", "133.06488": "Theoretical m/z 133.06534, Mass diff 0 (0 ppm), Formula C9H9O", "137.01562": "Theoretical m/z 137.015803, Mass diff 0 (0 ppm), Formula C8H6Cl", "139.0309": "Theoretical m/z 139.030903, Mass diff 0 (0.02 ppm), SMILES ClC1=CC=C(C=C1)CC, Annotation [C8H9Cl-H]+, Rule of HR True", "143.06068": "Theoretical m/z 143.060923, Mass diff 0 (0 ppm), Formula C9H7N2", "144.09352": "Theoretical m/z 144.0939, Mass diff 0 (0 ppm), Formula C11H12", "151.03107": "Theoretical m/z 151.030908, Mass diff 0 (1.07 ppm), SMILES ClC1=CC=C(C=C1)CCC, Annotation [C9H11Cl-3H]+, Rule of HR True", "165.04663": "Theoretical m/z 165.046548, Mass diff 0 (0.5 ppm), SMILES ClC1=CC=C(C=C1)CCCC, Annotation [C10H13Cl-3H]+, Rule of HR True", "179.0621": "Theoretical m/z 179.062753, Mass diff 0 (0 ppm), Formula C11H12Cl"}, "num_peaks": "15", "compound_name": "Tebuconazole", "retention_time": 6.933391, "precursor_mz": 308.1532, "collision_energy": "", "peaks_json": [[89.03882, 78455.0], [103.05439, 150981.0], [115.0543, 806550.0], [116.06211, 1104744.0], [125.01532, 7312966.0], [129.07021, 192428.0], [130.078, 394675.0], [133.06488, 89665.0], [137.01562, 81241.0], [139.0309, 552019.0], [143.06068, 143813.0], [144.09352, 109186.0], [151.03107, 2225088.0], [165.04663, 474739.0], [179.0621, 93619.0]]}, {"scannumber": "1845", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C13H11N3OCl2F4", "inchikey": "LQDARGUHUSPFNL-QMMMGPOBSA-N", "inchi": "", "smiles": "Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"115.05463": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "149.01559": "Theoretical m/z 149.015803, Mass diff 0 (0 ppm), Formula C9H6Cl", "150.02344": "Theoretical m/z 150.023428, Mass diff -0.001 (0 ppm), Formula C4H6ClFN3", "158.97679": "Theoretical m/z 158.976276, Mass diff 0.001 (3.23 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C, Annotation [C7H6Cl2-H]+, Rule of HR True", "176.96693": "Theoretical m/z 176.967409, Mass diff 0 (0 ppm), Formula C7H4Cl2F", "184.99236": "Theoretical m/z 184.991937, Mass diff 0 (2.29 ppm), SMILES ClC1=CC=C(C(Cl)=C1)C(C)C, Annotation [C9H10Cl2-3H]+, Rule of HR True"}, "num_peaks": "6", "compound_name": "Tetraconazole", "retention_time": 6.434036, "precursor_mz": 372.0302, "collision_energy": "", "peaks_json": [[115.05463, 210733.0], [149.01559, 493803.0], [150.02344, 1143618.0], [158.97679, 15780315.0], [176.96693, 301907.0], [184.99236, 249943.0]]}, {"scannumber": "2640", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C15H15N3OClF3", "inchikey": "HSMVPDGQOIQYSR-UHFFFAOYSA-N", "inchi": "", "smiles": "CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"278.05542": "Theoretical m/z 278.055408, Mass diff 0 (0.04 ppm), SMILES FC(F)(F)C1=CC(Cl)=CC=C1N=CCOCCC, Annotation [C12H13ClF3NO-H]+, Rule of HR True", "346.09351": "Theoretical m/z 346.092848, Mass diff 0.001 (1.91 ppm), SMILES FC(F)(F)C1=CC(Cl)=CC=C1N=C(N2C=NC=C2)COCCC, Annotation [C15H15ClF3N3O+H]+, Rule of HR True"}, "num_peaks": "2", "compound_name": "Triflumizole", "retention_time": 6.821252, "precursor_mz": 346.094, "collision_energy": "", "peaks_json": [[278.05542, 29552484.0], [346.09351, 955540.0]]}, {"scannumber": "2549", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C17H20N3OCl", "inchikey": "PPDBOQMNKNNODG-QGZVFWFLSA-N", "inchi": "", "smiles": "OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03882": "Theoretical m/z 89.038575, Mass diff 0 (2.75 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-3H]+, Rule of HR True", "91.05464": "Theoretical m/z 91.054226, Mass diff 0 (4.55 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "95.04953": "Theoretical m/z 95.04969, Mass diff 0 (0 ppm), Formula C6H7O", "95.08585": "Theoretical m/z 95.085525, Mass diff 0 (3.42 ppm), SMILES CCC(C)(C)CC, Annotation [C7H16-5H]+, Rule of HR True", "105.04505": "Theoretical m/z 105.045273, Mass diff 0 (0 ppm), Formula C6H5N2", "105.07019": "Theoretical m/z 105.069876, Mass diff 0 (2.99 ppm), SMILES C=CC=1C=CC=CC1, Annotation [C8H8+H]+, Rule of HR True", "109.06509": "Theoretical m/z 109.06534, Mass diff 0 (0 ppm), Formula C7H9O", "109.10148": "Theoretical m/z 109.101175, Mass diff 0 (2.8 ppm), SMILES CC1CCCC1(C)C, Annotation [C8H16-3H]+, Rule of HR True", "113.01572": "Theoretical m/z 113.015257, Mass diff 0 (4.1 ppm), SMILES ClC=1C=CC=CC1, Annotation [C6H5Cl+H]+, Rule of HR True", "115.05463": "Theoretical m/z 115.054223, Mass diff 0 (3.53 ppm), SMILES C=1C=CC(=CC1)C=CC, Annotation [C9H10-3H]+, Rule of HR True", "123.0806": "Theoretical m/z 123.080438, Mass diff 0 (1.32 ppm), SMILES OC1C(=C)CCC1(C)C, Annotation [C8H14O-3H]+, Rule of HR True", "124.08866": "Theoretical m/z 124.088268, Mass diff 0 (3.16 ppm), SMILES OC1(C)CCCC1(C)C, Annotation [C8H16O-4H]+, Rule of HR False", "125.0157": "Theoretical m/z 125.015255, Mass diff 0 (3.56 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True", "128.06239": "Theoretical m/z 128.062054, Mass diff 0 (2.62 ppm), SMILES C=1C=CC(=CC1)C=CCC, Annotation [C10H12-4H]+, Rule of HR False", "138.99483": "Theoretical m/z 138.995067, Mass diff 0 (0 ppm), Formula C7H4ClO", "139.03134": "Theoretical m/z 139.030897, Mass diff 0 (3.19 ppm), SMILES ClC1=CC=C(C=C)C=C1, Annotation [C8H7Cl+H]+, Rule of HR True", "141.01048": "Theoretical m/z 141.010717, Mass diff 0 (0 ppm), Formula C7H6ClO", "141.07028": "Theoretical m/z 141.070425, Mass diff 0 (0 ppm), Formula C11H9", "145.0649": "Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O", "149.01559": "Theoretical m/z 149.015252, Mass diff 0 (2.27 ppm), SMILES ClC1=CC=C(C=C1)C=CC, Annotation [C9H9Cl-3H]+, Rule of HR True", "151.03107": "Theoretical m/z 151.030903, Mass diff 0 (1.11 ppm), SMILES ClC1=CC=C(C=C1)C=CC, Annotation [C9H9Cl-H]+, Rule of HR True", "153.06992": "Theoretical m/z 153.070425, Mass diff 0 (0 ppm), Formula C12H9", "155.06064": "Theoretical m/z 155.060923, Mass diff 0 (0 ppm), Formula C10H7N2", "155.07307": "Theoretical m/z 155.073499, Mass diff 0 (0 ppm), Formula C11H9N", "155.08603": "Theoretical m/z 155.086075, Mass diff -0.001 (0 ppm), Formula C12H11", "162.97058": "Theoretical m/z 162.969915, Mass diff -0.001 (0 ppm), Formula C7ClN2O", "163.0309": "Theoretical m/z 163.030908, Mass diff 0 (0.05 ppm), SMILES ClC1=CC=C(C=C1)C=CCC, Annotation [C10H11Cl-3H]+, Rule of HR True", "165.04663": "Theoretical m/z 165.046558, Mass diff 0 (0.44 ppm), SMILES ClC1=CC=C(C=C1)C=CCC, Annotation [C10H11Cl-H]+, Rule of HR True", "165.06996": "Theoretical m/z 165.070425, Mass diff 0 (0 ppm), Formula C13H9", "167.08606": "Theoretical m/z 167.086075, Mass diff -0.001 (0 ppm), Formula C13H11", "174.97041": "Theoretical m/z 174.969915, Mass diff -0.001 (0 ppm), Formula C8ClN2O", "175.0313": "Theoretical m/z 175.030898, Mass diff 0 (2.3 ppm), SMILES ClC1=CC=C(C=C1)C=C(C)CC, Annotation [C11H13Cl-5H]+, Rule of HR True", "177.04655": "Theoretical m/z 177.046548, Mass diff 0 (0.01 ppm), SMILES ClC1=CC=C(C=C1)C=C(C)CC, Annotation [C11H13Cl-3H]+, Rule of HR True", "181.10179": "Theoretical m/z 181.10118, Mass diff 0.001 (3.37 ppm), SMILES C=1C=CC(=CC1)C=C2CCC(C)(C)C2, Annotation [C14H18-5H]+, Rule of HR True", "189.04662": "Theoretical m/z 189.046554, Mass diff 0 (0.35 ppm), SMILES ClC1=CC=C(C=C1)C=CCCCC, Annotation [C12H15Cl-5H]+, Rule of HR True", "190.04179": "Theoretical m/z 190.041808, Mass diff 0 (0.1 ppm), SMILES ClC1=CC=C(C=C1)C=C(C)CCN, Annotation [C11H14ClN-5H]+, Rule of HR True", "191.06258": "Theoretical m/z 191.062204, Mass diff 0 (1.97 ppm), SMILES ClC1=CC=C(C=C1)C=CCCCC, Annotation [C12H15Cl-3H]+, Rule of HR True"}, "num_peaks": "59", "compound_name": "Triticonazole", "retention_time": 6.793731, "precursor_mz": 318.1369, "collision_energy": "", "peaks_json": [[89.03882, 57349.0], [91.05464, 43853.0], [95.04953, 68354.0], [95.08585, 78735.0], [105.04505, 52373.0], [105.07019, 44975.0], [109.06509, 75668.0], [109.10148, 51915.0], [113.01572, 53023.0], [115.05463, 68376.0], [123.0806, 45319.0], [124.08866, 67815.0], [125.0157, 4347652.0], [127.01254, 310325.0], [128.06239, 303332.0], [130.078, 46406.0], [138.99483, 44710.0], [139.03134, 105057.0], [141.0033, 76537.0], [141.01048, 71845.0], [141.07028, 162099.0], [142.07797, 64263.0], [145.0649, 84426.0], [149.01559, 164192.0], [150.97079, 108504.0], [151.01263, 78052.0], [151.03107, 81877.0], [152.0202, 168874.0], [152.06247, 59642.0], [153.06992, 138585.0], [154.07816, 168480.0], [155.00728, 52088.0], [155.06064, 174636.0], [155.07307, 63253.0], [155.08603, 105852.0], [156.09389, 497246.0], [160.97346, 52002.0], [161.97681, 59631.0], [162.0233, 93274.0], [162.97058, 1449389.0], [163.0309, 743940.0], [165.04663, 51233.0], [165.06996, 567265.0], [166.07343, 191274.0], [167.0768, 126513.0], [167.08606, 45824.0], [174.97041, 93433.0], [175.0313, 553302.0], [176.03931, 76155.0], [177.04655, 73758.0], [178.96568, 128779.0], [181.10179, 157033.0], [185.07611, 76498.0], [188.98663, 142622.0], [189.04662, 686868.0], [189.05568, 66741.0], [190.04179, 48399.0], [191.06258, 581232.0], [196.12456, 74697.0]]}, {"scannumber": "3229", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C43H69NO10", "inchikey": "KWVYSEWJJXXTEZ-GDMNSMANSA-N", "inchi": "", "smiles": "CCOC1C(OC)C(OC2CC3C(C2)C(=CC2C3C=C3C2CC(=O)OC(CC)CCCC(C(C3=O)C)OC2CCC(C(O2)C)N(C)C)C)OC(C1OC)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.06505": "Theoretical m/z 85.06479, Mass diff 0 (3.06 ppm), SMILES OC(CC)CC, Annotation [C5H12O-3H]+, Rule of HR True", "87.04429": "Theoretical m/z 87.044056, Mass diff 0 (2.69 ppm), SMILES O=COCCC, Annotation [C4H8O2-H]+, Rule of HR True", "95.04928": "Theoretical m/z 95.049144, Mass diff 0 (1.43 ppm), SMILES O=CC1=CCCC1, Annotation [C6H8O-H]+, Rule of HR True", "97.06514": "Theoretical m/z 97.064788, Mass diff 0 (3.63 ppm), SMILES O(CC)CCCC, Annotation [C6H14O-5H]+, Rule of HR True", "98.09655": "Theoretical m/z 98.096422, Mass diff 0 (1.31 ppm), SMILES N(C)(C)C(C)CC, Annotation [C6H15N-3H]+, Rule of HR True", "99.04415": "Theoretical m/z 99.044053, Mass diff 0 (0.98 ppm), SMILES O=C(OCCC)C, Annotation [C5H10O2-3H]+, Rule of HR True", "99.08067": "Theoretical m/z 99.080438, Mass diff 0 (2.34 ppm), SMILES OC(CC)CCC, Annotation [C6H14O-3H]+, Rule of HR True", "101.06004": "Theoretical m/z 101.059709, Mass diff 0 (3.28 ppm), SMILES O(C)CCOCC, Annotation [C5H12O2-3H]+, Rule of HR True", "111.04435": "Theoretical m/z 111.044057, Mass diff 0 (2.64 ppm), SMILES O(COC(C)C)CC, Annotation [C6H14O2-7H]+, Rule of HR True", "115.0755": "Theoretical m/z 115.075359, Mass diff 0 (1.23 ppm), SMILES O=C(OC(C)CC)C, Annotation [C6H12O2-H]+, Rule of HR True", "124.11241": "Theoretical m/z 124.112624, Mass diff 0 (0 ppm), Formula C8H14N", "125.05997": "Theoretical m/z 125.059703, Mass diff 0 (2.13 ppm), SMILES O=C(O)CC1C=CCC1, Annotation [C7H10O2-H]+, Rule of HR True", "127.07556": "Theoretical m/z 127.075357, Mass diff 0 (1.6 ppm), SMILES O=C(OC(CC)CC)C, Annotation [C7H14O2-3H]+, Rule of HR True", "142.12299": "Theoretical m/z 142.122638, Mass diff 0 (2.47 ppm), SMILES O1CCCC(N(C)C)C1C, Annotation [C8H17NO-H]+, Rule of HR True", "157.08623": "Theoretical m/z 157.085916, Mass diff 0 (2 ppm), SMILES O(C)C1COC(C)C(OC)C1, Annotation [C8H16O3-3H]+, Rule of HR True", "160.13321": "Theoretical m/z 160.133207, Mass diff 0 (0.02 ppm), SMILES OC1OC(C)C(N(C)C)CC1, Annotation [C8H17NO2+H]+, Rule of HR True", "169.10155": "Theoretical m/z 169.10118, Mass diff 0 (2.19 ppm), SMILES C1=CC2C(C=C(C)C3CCCC23)C1, Annotation [C13H18-5H]+, Rule of HR True", "183.11732": "Theoretical m/z 183.11682, Mass diff 0 (2.73 ppm), SMILES C1=CC2C(C=C(C)C3CCCC23)C1C, Annotation [C14H20-5H]+, Rule of HR True", "211.11166": "Theoretical m/z 211.111739, Mass diff 0 (0.38 ppm), SMILES O=CC1=CC2C(C=C(C)C3CCCC23)C1C, Annotation [C15H20O-5H]+, Rule of HR True", "213.09132": "Theoretical m/z 213.091003, Mass diff 0 (1.49 ppm), SMILES O=CC1=CC2C(C=C(C)C3CC(O)CC23)C1, Annotation [C14H18O2-5H]+, Rule of HR True"}, "num_peaks": "21", "compound_name": "Spinetoram L", "retention_time": 6.970665, "precursor_mz": 760.5021, "collision_energy": "", "peaks_json": [[85.06505, 76410.0], [87.04429, 159491.0], [95.04928, 101292.0], [97.06514, 990457.0], [98.09655, 3217928.0], [99.04415, 293676.0], [99.08067, 604833.0], [101.06004, 88798.0], [111.04435, 94328.0], [115.0755, 369305.0], [124.11241, 164399.0], [125.05997, 306356.0], [127.07556, 185334.0], [142.12299, 6861919.0], [157.08623, 113064.0], [160.13321, 150610.0], [169.10155, 133452.0], [173.50752, 93996.0], [183.11732, 117521.0], [211.11166, 121662.0], [213.09132, 89441.0]]}, {"scannumber": "3373", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C49H75NO13", "inchikey": "GCKZANITAMOIAR-XWVCPFKXSA-N", "inchi": "", "smiles": "CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"95.04928": "Theoretical m/z 95.049142, Mass diff 0 (1.45 ppm), SMILES O1CC=CC(C)C1, Annotation [C6H10O-3H]+, Rule of HR True", "98.06031": "Theoretical m/z 98.060589, Mass diff 0 (0 ppm), Formula C5H8NO", "108.08107": "Theoretical m/z 108.081324, Mass diff 0 (0 ppm), Formula C7H10N", "109.10148": "Theoretical m/z 109.101175, Mass diff 0 (2.8 ppm), SMILES C=CCCC(C)CC, Annotation [C8H16-3H]+, Rule of HR True", "114.0916": "Theoretical m/z 114.09134, Mass diff 0 (2.28 ppm), SMILES O(C)CC(NC)CC, Annotation [C6H15NO-3H]+, Rule of HR True", "119.08569": "Theoretical m/z 119.086075, Mass diff 0 (0 ppm), Formula C9H11", "123.11689": "Theoretical m/z 123.11683, Mass diff 0 (0.49 ppm), SMILES C=CC(C)CC(C)CC, Annotation [C9H18-3H]+, Rule of HR True", "126.09174": "Theoretical m/z 126.091889, Mass diff 0 (0 ppm), Formula C7H12NO", "140.10709": "Theoretical m/z 140.107539, Mass diff 0 (0 ppm), Formula C8H14NO", "158.11794": "Theoretical m/z 158.117557, Mass diff 0 (2.42 ppm), SMILES O(C)C1CCOC(C)C1NC, Annotation [C8H17NO2-H]+, Rule of HR True"}, "num_peaks": "11", "compound_name": "Emamectin benzoate", "retention_time": 6.999389, "precursor_mz": 886.5328, "collision_energy": "", "peaks_json": [[95.04928, 292923.0], [98.06031, 268499.0], [108.08107, 688810.0], [109.10148, 229513.0], [114.0916, 233366.0], [119.08569, 201386.0], [123.11689, 375128.0], [126.09174, 1876739.0], [140.10709, 213152.0], [158.11794, 18414448.0], [173.50876, 230972.0]]}, {"scannumber": "1283", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C20H33NO", "inchikey": "RYAUSSKQMZRMAI-ALOPSCKCSA-N", "inchi": "", "smiles": "CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05441": "Theoretical m/z 91.054226, Mass diff 0 (2.03 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-H]+, Rule of HR True", "98.09655": "Theoretical m/z 98.096422, Mass diff 0 (1.31 ppm), SMILES N(CCC)CCC, Annotation [C6H15N-3H]+, Rule of HR True", "102.09142": "Theoretical m/z 102.091343, Mass diff 0 (0.76 ppm), SMILES OC(C)CN(C)C, Annotation [C5H13NO-H]+, Rule of HR True", "105.0699": "Theoretical m/z 105.070425, Mass diff 0 (0 ppm), Formula C8H9", "107.08563": "Theoretical m/z 107.086075, Mass diff 0 (0 ppm), Formula C8H11", "116.10709": "Theoretical m/z 116.106993, Mass diff 0 (0.84 ppm), SMILES O1CCN(C)CC1C, Annotation [C6H13NO+H]+, Rule of HR True", "117.06997": "Theoretical m/z 117.069879, Mass diff 0 (0.78 ppm), SMILES C=1C=CC(=CC1)CCC, Annotation [C9H12-3H]+, Rule of HR True", "119.08569": "Theoretical m/z 119.085529, Mass diff 0 (1.35 ppm), SMILES C=1C=CC(=CC1)CCC, Annotation [C9H12-H]+, Rule of HR True", "130.1226": "Theoretical m/z 130.122633, Mass diff 0 (0.25 ppm), SMILES O1C(C)CN(C)CC1C, Annotation [C7H15NO+H]+, Rule of HR True", "132.09351": "Theoretical m/z 132.093344, Mass diff 0 (1.26 ppm), SMILES C=1C=CC(=CC1)C(C)(C)C, Annotation [C10H14-2H]+, Rule of HR False", "145.10147": "Theoretical m/z 145.101725, Mass diff 0 (0 ppm), Formula C11H13", "147.11678": "Theoretical m/z 147.116825, Mass diff 0 (0.3 ppm), SMILES C=1C=C(C=CC1C)C(C)(C)C, Annotation [C11H16-H]+, Rule of HR True", "161.13254": "Theoretical m/z 161.13248, Mass diff 0 (0.37 ppm), SMILES C=1C=C(C=CC1CC)C(C)(C)C, Annotation [C12H18-H]+, Rule of HR True", "304.26379": "Theoretical m/z 304.263502, Mass diff 0 (0.95 ppm), SMILES O1C(C)CN(CC1C)CC(C)CC2=CC=C(C=C2)C(C)(C)C, Annotation [C20H33NO+H]+, Rule of HR True"}, "num_peaks": "14", "compound_name": "Fenpropimorph", "retention_time": 4.613603, "precursor_mz": 304.2642, "collision_energy": "", "peaks_json": [[91.05441, 1025363.0], [98.09655, 5764430.0], [102.09142, 427096.0], [105.0699, 3838997.0], [107.08563, 608609.0], [116.10709, 2962134.0], [117.06997, 1187727.0], [119.08569, 5923314.0], [130.1226, 4460902.0], [132.09351, 5501752.0], [145.10147, 350602.0], [147.11678, 29169826.0], [161.13254, 881881.0], [304.26379, 2555976.0]]}, {"scannumber": "4501", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C21H24O4Cl2", "inchikey": "DTDSAWVUFPGDMX-UHFFFAOYSA-N", "inchi": "", "smiles": "CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"313.03952": "Theoretical m/z 313.039289, Mass diff 0 (0.74 ppm), SMILES O=C1OC2(C(O)=C1C=3C=C(Cl)C=C(Cl)C3)CCCCC2, Annotation [C15H14Cl2O3+H]+, Rule of HR True", "411.11246": "Theoretical m/z 411.11244, Mass diff 0 (0.05 ppm), SMILES O=C1OC2(C(OC(=O)C(C)(C)CC)=C1C=3C=C(Cl)C=C(Cl)C3)CCCCC2, Annotation [C21H24Cl2O4+H]+, Rule of HR True"}, "num_peaks": "3", "compound_name": "Spirodiclofen", "retention_time": 7.279784, "precursor_mz": 411.1127, "collision_energy": "", "peaks_json": [[313.03357, 548684.0], [313.03952, 12618725.0], [411.11246, 2380661.0]]}, {"scannumber": "2899", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C41H65NO10", "inchikey": "SRJQTHAZUNRMPR-SFGMUSMWSA-N", "inchi": "", "smiles": "CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=CC1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"85.06505": "Theoretical m/z 85.06479, Mass diff 0 (3.06 ppm), SMILES OC(CC)CC, Annotation [C5H12O-3H]+, Rule of HR True", "95.08585": "Theoretical m/z 95.085525, Mass diff 0 (3.42 ppm), SMILES CCCCCCC, Annotation [C7H16-5H]+, Rule of HR True", "97.06514": "Theoretical m/z 97.06479, Mass diff 0 (3.6 ppm), SMILES O1CCCCC1C, Annotation [C6H12O-3H]+, Rule of HR True", "98.09655": "Theoretical m/z 98.096422, Mass diff 0 (1.31 ppm), SMILES N(C)(C)C(C)CC, Annotation [C6H15N-3H]+, Rule of HR True", "99.04415": "Theoretical m/z 99.044053, Mass diff 0 (0.98 ppm), SMILES O=C(OCCC)C, Annotation [C5H10O2-3H]+, Rule of HR True", "99.08067": "Theoretical m/z 99.08044, Mass diff 0 (2.32 ppm), SMILES O1CCCCC1C, Annotation [C6H12O-H]+, Rule of HR True", "101.05976": "Theoretical m/z 101.059703, Mass diff 0 (0.56 ppm), SMILES O=C(OCCC)C, Annotation [C5H10O2-H]+, Rule of HR True", "113.05991": "Theoretical m/z 113.059709, Mass diff 0 (1.78 ppm), SMILES OC1OC(C)CCC1, Annotation [C6H12O2-3H]+, Rule of HR True", "115.0755": "Theoretical m/z 115.075359, Mass diff 0 (1.23 ppm), SMILES OC1OC(C)CCC1, Annotation [C6H12O2-H]+, Rule of HR True", "124.11241": "Theoretical m/z 124.112075, Mass diff 0 (2.7 ppm), SMILES N(C)(C)C(CC)CCC, Annotation [C8H19N-5H]+, Rule of HR True", "125.05997": "Theoretical m/z 125.059707, Mass diff 0 (2.11 ppm), SMILES O(C)C1OC(C)CCC1, Annotation [C7H14O2-5H]+, Rule of HR True", "129.09106": "Theoretical m/z 129.091007, Mass diff 0 (0.41 ppm), SMILES O=C(OC(CC)CC)C, Annotation [C7H14O2-H]+, Rule of HR True", "142.12299": "Theoretical m/z 142.122638, Mass diff 0 (2.47 ppm), SMILES O1CCCC(N(C)C)C1C, Annotation [C8H17NO-H]+, Rule of HR True", "145.08598": "Theoretical m/z 145.085926, Mass diff 0 (0.37 ppm), SMILES O=CC(C)COCOCC, Annotation [C7H14O3-H]+, Rule of HR True", "155.08551": "Theoretical m/z 155.086075, Mass diff 0 (0 ppm), Formula C12H11", "157.08623": "Theoretical m/z 157.085916, Mass diff 0 (2 ppm), SMILES O=COC(CC)CCCCO, Annotation [C8H16O3-3H]+, Rule of HR True", "160.13321": "Theoretical m/z 160.133207, Mass diff 0 (0.02 ppm), SMILES OC1OC(C)C(N(C)C)CC1, Annotation [C8H17NO2+H]+, Rule of HR True", "169.10155": "Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13", "183.08075": "Theoretical m/z 183.080449, Mass diff 0 (1.64 ppm), SMILES O=C(C1=CC2CC(C=CC2C1)C)CC, Annotation [C13H18O-7H]+, Rule of HR True", "197.09599": "Theoretical m/z 197.096089, Mass diff 0 (0.5 ppm), SMILES O=C(C1=CC2C(C=CC(C)C2C)C1)CC, Annotation [C14H20O-7H]+, Rule of HR True", "199.07574": "Theoretical m/z 199.075905, Mass diff 0 (0 ppm), Formula C13H11O2", "201.0916": "Theoretical m/z 201.091008, Mass diff 0.001 (2.94 ppm), SMILES O=C(OC(C)CC)CC1C=CCC1C=C, Annotation [C13H20O2-7H]+, Rule of HR True", "225.09103": "Theoretical m/z 225.091008, Mass diff 0 (0.1 ppm), SMILES O=CCC1C(=CC2CC(C=CC21)C)C(=O)CC, Annotation [C15H20O2-7H]+, Rule of HR True"}, "num_peaks": "24", "compound_name": "Spinosad", "retention_time": 6.884336, "precursor_mz": 732.4695, "collision_energy": "", "peaks_json": [[85.06505, 290872.0], [95.08585, 281431.0], [97.06514, 4107321.0], [98.09655, 11811636.0], [99.04415, 1980639.0], [99.08067, 1702591.0], [101.05976, 1777858.0], [113.05991, 355791.0], [115.0755, 428942.0], [124.11241, 549097.0], [125.05997, 1372437.0], [129.09106, 504378.0], [142.12299, 24420248.0], [145.08598, 799808.0], [155.08551, 1085827.0], [157.08623, 650576.0], [160.13321, 457492.0], [169.10155, 538427.0], [173.50937, 310025.0], [183.08075, 246373.0], [197.09599, 753984.0], [199.07574, 416158.0], [201.0916, 354498.0], [225.09103, 339682.0]]}, {"scannumber": "1978", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C21H27NO5", "inchikey": "CLSVJBIHYWPGQY-UHFFFAOYSA-N", "inchi": "", "smiles": "CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"117.07031": "Theoretical m/z 117.069879, Mass diff 0 (3.68 ppm), SMILES C=1C=C(C(=CC1C)C)C, Annotation [C9H12-3H]+, Rule of HR True", "119.08569": "Theoretical m/z 119.085529, Mass diff 0 (1.35 ppm), SMILES C=1C=C(C(=CC1C)C)C, Annotation [C9H12-H]+, Rule of HR True", "131.08598": "Theoretical m/z 131.085529, Mass diff 0 (3.44 ppm), SMILES C=CC1=CC(=CC=C1C)C, Annotation [C10H12-H]+, Rule of HR True", "143.08594": "Theoretical m/z 143.085519, Mass diff 0 (2.94 ppm), SMILES C=C(C1=CC(=CC=C1C)C)C, Annotation [C11H14-3H]+, Rule of HR True", "145.06535": "Theoretical m/z 145.064798, Mass diff 0.001 (3.81 ppm), SMILES OC=CC1=CC(=CC=C1C)C, Annotation [C10H12O-3H]+, Rule of HR True", "145.10147": "Theoretical m/z 145.101169, Mass diff 0 (2.07 ppm), SMILES C=C(C1=CC(=CC=C1C)C)C, Annotation [C11H14-H]+, Rule of HR True", "147.08087": "Theoretical m/z 147.080448, Mass diff 0 (2.87 ppm), SMILES OC=CC1=CC(=CC=C1C)C, Annotation [C10H12O-H]+, Rule of HR True", "155.08603": "Theoretical m/z 155.086075, Mass diff -0.001 (0 ppm), Formula C12H11", "157.10155": "Theoretical m/z 157.101725, Mass diff 0 (0 ppm), Formula C12H13", "160.11253": "Theoretical m/z 160.112074, Mass diff 0 (2.85 ppm), SMILES N=CC(=C)C1=CC(=CC=C1C)C, Annotation [C11H13N+H]+, Rule of HR True", "169.10155": "Theoretical m/z 169.101725, Mass diff 0 (0 ppm), Formula C13H13", "173.06003": "Theoretical m/z 173.059701, Mass diff 0 (1.9 ppm), SMILES O=COC=CC1=CC(=CC=C1C)C, Annotation [C11H12O2-3H]+, Rule of HR True", "173.09608": "Theoretical m/z 173.09664, Mass diff 0 (0 ppm), Formula C12H13O", "183.11732": "Theoretical m/z 183.117375, Mass diff 0 (0 ppm), Formula C14H15", "188.10699": "Theoretical m/z 188.106993, Mass diff 0 (0.01 ppm), SMILES OC1=NCC=C1C=2C=C(C=CC2C)C, Annotation [C12H13NO+H]+, Rule of HR True", "197.13313": "Theoretical m/z 197.133026, Mass diff -0.001 (0 ppm), Formula C15H17", "207.11739": "Theoretical m/z 207.117375, Mass diff -0.001 (0 ppm), Formula C16H15", "216.10236": "Theoretical m/z 216.101902, Mass diff 0 (2.12 ppm), SMILES OC1=NC(C(O)=C1C2=CC(=CC=C2C)C)C, Annotation [C13H15NO2-H]+, Rule of HR True", "225.12729": "Theoretical m/z 225.12794, Mass diff 0 (0 ppm), Formula C16H17O", "244.13345": "Theoretical m/z 244.133213, Mass diff 0 (0.97 ppm), SMILES OC1=NC(C(O)=C1C2=CC(=CC=C2C)C)(C)CC, Annotation [C15H19NO2-H]+, Rule of HR True", "253.12317": "Theoretical m/z 253.122855, Mass diff -0.001 (0 ppm), Formula C17H17O2", "270.14972": "Theoretical m/z 270.148858, Mass diff 0.001 (3.19 ppm), SMILES OC1=NC(C=C1C=2C=C(C=CC2C)C)CCC(OC)C, Annotation [C17H23NO2-3H]+, Rule of HR True", "302.17508": "Theoretical m/z 302.175062, Mass diff 0 (0.06 ppm), SMILES OC1=NC2(C(O)=C1C3=CC(=CC=C3C)C)CCC(OC)CC2, Annotation [C18H23NO3+H]+, Rule of HR True"}, "num_peaks": "25", "compound_name": "Spirotetramat", "retention_time": 6.637813, "precursor_mz": 374.1972, "collision_energy": "", "peaks_json": [[117.07031, 3145654.0], [119.08569, 1788706.0], [131.08598, 559926.0], [143.08594, 1443391.0], [145.06535, 755443.0], [145.10147, 3741174.0], [147.08087, 660014.0], [155.08603, 1939864.0], [157.10155, 488130.0], [160.11253, 518572.0], [169.10155, 615151.0], [173.06003, 2045691.0], [173.09608, 1047769.0], [182.10933, 614118.0], [183.11732, 922964.0], [188.10699, 1101991.0], [192.09375, 469162.0], [197.13313, 1231311.0], [207.11739, 667038.0], [216.10236, 45921764.0], [225.12729, 615992.0], [244.13345, 5845476.0], [253.12317, 483222.0], [270.14972, 5260680.0], [302.17508, 467268.0]]}, {"scannumber": "2785", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C42H69NO10", "inchikey": "GOENIMGKWNZVDA-RWGFPKGXSA-N", "inchi": "", "smiles": "CCOC1C(OC)C(OC2CC3C(C2)C2C=C4C(C2CC3)CC(=O)OC(CC)CCCC(C(C4=O)C)OC2CCC(C(O2)C)N(C)C)OC(C1OC)C", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"87.04429": "Theoretical m/z 87.044056, Mass diff 0 (2.69 ppm), SMILES O=COCCC, Annotation [C4H8O2-H]+, Rule of HR True", "95.04928": "Theoretical m/z 95.04914, Mass diff 0 (1.47 ppm), SMILES OC1CCC(C)C1, Annotation [C6H12O-5H]+, Rule of HR True", "97.06488": "Theoretical m/z 97.064788, Mass diff 0 (0.95 ppm), SMILES O(CC)CCCC, Annotation [C6H14O-5H]+, Rule of HR True", "98.09655": "Theoretical m/z 98.096422, Mass diff 0 (1.31 ppm), SMILES N(C)(C)C(C)CC, Annotation [C6H15N-3H]+, Rule of HR True", "99.04415": "Theoretical m/z 99.044053, Mass diff 0 (0.98 ppm), SMILES O=C(OCCC)C, Annotation [C5H10O2-3H]+, Rule of HR True", "99.08067": "Theoretical m/z 99.080438, Mass diff 0 (2.34 ppm), SMILES OC(CC)CCC, Annotation [C6H14O-3H]+, Rule of HR True", "111.04435": "Theoretical m/z 111.044057, Mass diff 0 (2.64 ppm), SMILES O(COC(C)C)CC, Annotation [C6H14O2-7H]+, Rule of HR True", "115.0755": "Theoretical m/z 115.075359, Mass diff 0 (1.23 ppm), SMILES O=C(OC(C)CC)C, Annotation [C6H12O2-H]+, Rule of HR True", "124.11241": "Theoretical m/z 124.112624, Mass diff 0 (0 ppm), Formula C8H14N", "125.05997": "Theoretical m/z 125.059707, Mass diff 0 (2.11 ppm), SMILES OCOC1CCC(C)C1, Annotation [C7H14O2-5H]+, Rule of HR True", "127.07556": "Theoretical m/z 127.075357, Mass diff 0 (1.6 ppm), SMILES O=C(OC(CC)CC)C, Annotation [C7H14O2-3H]+, Rule of HR True", "142.12299": "Theoretical m/z 142.122638, Mass diff 0 (2.47 ppm), SMILES O1CCCC(N(C)C)C1C, Annotation [C8H17NO-H]+, Rule of HR True", "157.08623": "Theoretical m/z 157.085916, Mass diff 0 (2 ppm), SMILES O(C)C1COC(C)C(OC)C1, Annotation [C8H16O3-3H]+, Rule of HR True", "157.10155": "Theoretical m/z 157.10118, Mass diff 0 (2.35 ppm), SMILES C1=CC2C(C1)CCC3CCCC32, Annotation [C12H18-5H]+, Rule of HR True", "160.13321": "Theoretical m/z 160.133207, Mass diff 0 (0.02 ppm), SMILES OC1OC(C)C(N(C)C)CC1, Annotation [C8H17NO2+H]+, Rule of HR True", "171.11707": "Theoretical m/z 171.11682, Mass diff 0 (1.46 ppm), SMILES C1=CC2C(CCC3CCCC23)C1C, Annotation [C13H20-5H]+, Rule of HR True", "199.11194": "Theoretical m/z 199.111739, Mass diff 0 (1.01 ppm), SMILES O=CC1=CC2C(CCC3CCCC23)C1C, Annotation [C14H20O-5H]+, Rule of HR True", "203.10715": "Theoretical m/z 203.106653, Mass diff 0 (2.45 ppm), SMILES O=CC1=CC2C(C1)CCC3CC(O)CC23, Annotation [C13H18O2-3H]+, Rule of HR True", "217.12222": "Theoretical m/z 217.122308, Mass diff 0 (0.41 ppm), SMILES O=CC1=CC2C(CCC3CC(O)CC23)C1C, Annotation [C14H20O2-3H]+, Rule of HR True"}, "num_peaks": "19", "compound_name": "Spinetoram J", "retention_time": 6.875065, "precursor_mz": 748.4996, "collision_energy": "", "peaks_json": [[87.04429, 367892.0], [95.04928, 288081.0], [97.06488, 2777411.0], [98.09655, 8992013.0], [99.04415, 801171.0], [99.08067, 1598443.0], [111.04435, 203657.0], [115.0755, 975367.0], [124.11241, 446241.0], [125.05997, 894301.0], [127.07556, 507677.0], [142.12299, 18851726.0], [157.08623, 430463.0], [157.10155, 1058798.0], [160.13321, 524113.0], [171.11707, 230127.0], [199.11194, 246050.0], [203.10715, 581698.0], [217.12222, 236328.0]]}, {"scannumber": "1646", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C25H24N4F6", "inchikey": "IQVNEKKDSLOHHK-UHFFFAOYSA-N", "inchi": "", "smiles": "CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"86.09703": "Theoretical m/z 86.096974, Mass diff -0.001 (0 ppm), Formula C5H12N", "97.07668": "Theoretical m/z 97.076573, Mass diff -0.001 (0 ppm), Formula C5H9N2", "102.04713": "Theoretical m/z 102.04695, Mass diff -0.001 (0 ppm), Formula C8H6", "109.07671": "Theoretical m/z 109.076573, Mass diff -0.001 (0 ppm), Formula C6H9N2", "111.09241": "Theoretical m/z 111.092223, Mass diff -0.001 (0 ppm), Formula C6H11N2", "112.08799": "Theoretical m/z 112.087472, Mass diff -0.001 (0 ppm), Formula C5H10N3", "113.10799": "Theoretical m/z 113.107873, Mass diff -0.001 (0 ppm), Formula C6H13N2", "126.10352": "Theoretical m/z 126.103122, Mass diff -0.001 (0 ppm), Formula C6H12N3", "128.1188": "Theoretical m/z 128.118223, Mass diff 0.001 (4.5 ppm), SMILES N1=C(N)NCC(C)(C)C1, Annotation [C6H13N3+H]+, Rule of HR True", "151.03604": "Theoretical m/z 151.035379, Mass diff 0.001 (4.38 ppm), SMILES FC(F)C1=CC=C(C=C)C=C1, Annotation [C9H8F2-3H]+, Rule of HR True", "153.11414": "Theoretical m/z 153.113468, Mass diff 0.001 (4.39 ppm), SMILES N(=C)NC1=NCC(C)(C)CN1, Annotation [C7H14N4-H]+, Rule of HR True", "159.04243": "Theoretical m/z 159.04216, Mass diff -0.001 (0 ppm), Formula C8H6F3", "163.12367": "Theoretical m/z 163.123523, Mass diff -0.001 (0 ppm), Formula C10H15N2", "171.04259": "Theoretical m/z 171.04216, Mass diff -0.001 (0 ppm), Formula C9H6F3", "178.04718": "Theoretical m/z 178.046831, Mass diff -0.001 (0 ppm), Formula C10H6F2N", "183.04219": "Theoretical m/z 183.04162, Mass diff 0.001 (3.12 ppm), SMILES FC(F)(F)C1=CC=C(C=C1)C=CC, Annotation [C10H9F3-3H]+, Rule of HR True", "196.0376": "Theoretical m/z 196.036859, Mass diff 0.001 (3.78 ppm), SMILES FC(F)(F)C1=CC=C(C=CC=N)C=C1, Annotation [C10H8F3N-3H]+, Rule of HR True", "198.05374": "Theoretical m/z 198.053059, Mass diff -0.001 (0 ppm), Formula C10H7F3N", "209.05803": "Theoretical m/z 209.05726, Mass diff 0.001 (3.68 ppm), SMILES FC(F)(F)C1=CC=C(C=C1)C=CCC=C, Annotation [C12H11F3-3H]+, Rule of HR True", "213.06461": "Theoretical m/z 213.063958, Mass diff -0.001 (0 ppm), Formula C10H8F3N2", "218.05339": "Theoretical m/z 218.052979, Mass diff -0.001 (0 ppm), Formula C11H6F2N3", "223.04858": "Theoretical m/z 223.047759, Mass diff 0.001 (3.68 ppm), SMILES FC(F)(F)C1=CC=C(C=CC=NNC)C=C1, Annotation [C11H11F3N2-5H]+, Rule of HR True", "225.06474": "Theoretical m/z 225.063958, Mass diff -0.001 (0 ppm), Formula C11H8F3N2", "238.05968": "Theoretical m/z 238.058664, Mass diff 0.001 (4.27 ppm), SMILES FC(F)(F)C1=CC=C(C=CC=NNC=N)C=C1, Annotation [C11H10F3N3-3H]+, Rule of HR True", "239.08025": "Theoretical m/z 239.079059, Mass diff 0.001 (4.98 ppm), SMILES FC(F)(F)C1=CC=C(C=CC(=NN)C=C)C=C1, Annotation [C12H11F3N2-H]+, Rule of HR True", "247.08057": "Theoretical m/z 247.079528, Mass diff -0.002 (0 ppm), Formula C12H9F2N4", "253.14586": "Theoretical m/z 253.144769, Mass diff 0.001 (4.31 ppm), SMILES N(=CC=CC=1C=CC=CC1)NC2=NCC(C)(C)CN2, Annotation [C15H20N4-3H]+, Rule of HR True", "255.08643": "Theoretical m/z 255.085193, Mass diff 0.001 (4.85 ppm), SMILES FC(F)(F)C1=CC=C(C=CC=NNC(=N)N)C=C1, Annotation [C11H11F3N4-H]+, Rule of HR True", "267.08603": "Theoretical m/z 267.085199, Mass diff 0.001 (3.11 ppm), SMILES FC(F)(F)C1=CC=C(C=CC=NNC(=N)NC)C=C1, Annotation [C12H13F3N4-3H]+, Rule of HR True", "281.12677": "Theoretical m/z 281.126558, Mass diff -0.001 (0 ppm), Formula C15H16F3N2", "295.14307": "Theoretical m/z 295.142208, Mass diff -0.001 (0 ppm), Formula C16H18F3N2", "298.08517": "Theoretical m/z 298.083825, Mass diff 0.001 (4.51 ppm), SMILES FC(F)(F)C1=CC=C(C=CC(=N)C=CC=2C=CC=CC2)C=C1, Annotation [C18H14F3N-3H]+, Rule of HR True", "298.15424": "Theoretical m/z 298.153107, Mass diff -0.002 (0 ppm), Formula C15H19F3N3", "299.09323": "Theoretical m/z 299.091984, Mass diff -0.002 (0 ppm), Formula C13H11F4N4", "307.14276": "Theoretical m/z 307.142208, Mass diff -0.001 (0 ppm), Formula C17H18F3N2", "323.14941": "Theoretical m/z 323.147815, Mass diff 0.002 (4.93 ppm), SMILES FC(F)(F)C1=CC=C(C=CC=NNC2=NCC(C)(C)CN2)C=C1, Annotation [C16H19F3N4-H]+, Rule of HR True", "328.07541": "Theoretical m/z 328.074937, Mass diff -0.001 (0 ppm), Formula C19H10F4N", "334.15344": "Theoretical m/z 334.152551, Mass diff 0.001 (2.66 ppm), SMILES FC(F)(F)C1=CC=C(C=CC(=NNC=NCC(C)(C)C)C=C)C=C1, Annotation [C18H22F3N3-3H]+, Rule of HR True", "348.08228": "Theoretical m/z 348.080621, Mass diff 0.002 (4.77 ppm), SMILES FC(F)C1=CC=C(C=CC(=N)C=CC2=CC=C(C=C2)C(F)(F)F)C=C1, Annotation [C19H14F5N-3H]+, Rule of HR True", "366.07346": "Theoretical m/z 366.071744, Mass diff -0.002 (0 ppm), Formula C19H10F6N", "495.20059": "Theoretical m/z 495.198341, Mass diff -0.003 (0 ppm), Formula C25H25F6N4"}, "num_peaks": "48", "compound_name": "Hydramethylnon", "retention_time": 6.67979, "precursor_mz": 495.1986, "collision_energy": "", "peaks_json": [[86.09703, 592073.0], [97.07668, 1102254.0], [102.04713, 162761.0], [109.07671, 152336.0], [111.09241, 210434.0], [112.08799, 1438576.0], [112.1001, 1334338.0], [113.10799, 1043525.0], [126.10352, 2018271.0], [127.11132, 687935.0], [128.1188, 2868988.0], [151.03604, 3123530.0], [153.11414, 318101.0], [159.04243, 1900688.0], [163.12367, 266550.0], [169.04726, 264978.0], [171.04259, 9972201.0], [178.04718, 949330.0], [183.04219, 978938.0], [196.0376, 218268.0], [198.05374, 693364.0], [209.05803, 231723.0], [213.06461, 1076938.0], [214.04874, 274804.0], [218.05339, 138241.0], [223.04858, 173264.0], [225.06474, 1428863.0], [238.05968, 4320120.0], [239.08025, 155000.0], [247.08057, 319312.0], [253.14586, 318558.0], [255.08643, 272181.0], [267.08603, 1563035.0], [270.13541, 250539.0], [281.12677, 392614.0], [295.14307, 440522.0], [298.08517, 500719.0], [298.15424, 170519.0], [299.09323, 317366.0], [307.14276, 192450.0], [323.14941, 13337730.0], [328.07541, 186287.0], [334.15344, 701456.0], [348.08228, 404641.0], [353.0658, 262110.0], [366.07346, 193709.0], [368.08932, 5815862.0], [495.20059, 2433116.0]]}, {"scannumber": "742", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H16N2O2", "inchikey": "IMIDOCRTMDIQIJ-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1ccc(c(c1)C)N(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"120.05733": "Theoretical m/z 120.056967, Mass diff 0 (3.02 ppm), SMILES O(C1=CC=CC(=C1)C)C, Annotation [C8H10O-2H]+, Rule of HR False", "122.06016": "Theoretical m/z 122.060589, Mass diff 0 (0 ppm), Formula C7H8NO", "136.07611": "Theoretical m/z 136.075687, Mass diff 0 (3.11 ppm), SMILES OC1=CC=C(C=C1)N(C)C, Annotation [C8H11NO-H]+, Rule of HR True", "137.08363": "Theoretical m/z 137.083512, Mass diff 0 (0.86 ppm), SMILES OC1=CC=C(C=C1)N(C)C, Annotation [C8H11NO]+, Rule of HR False", "152.10725": "Theoretical m/z 152.106993, Mass diff 0 (1.69 ppm), SMILES OC1=CC=C(C(=C1)C)N(C)C, Annotation [C9H13NO+H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Aminocarb_1", "retention_time": 0.8035756, "precursor_mz": 209.129, "collision_energy": "", "peaks_json": [[120.05733, 176701.0], [122.06016, 1917070.0], [136.07611, 928093.0], [137.08363, 8823033.0], [152.10725, 186336.0]]}, {"scannumber": "1198", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H16N2O2", "inchikey": "IMIDOCRTMDIQIJ-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1ccc(c(c1)C)N(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"120.05733": "Theoretical m/z 120.056967, Mass diff 0 (3.02 ppm), SMILES O(C1=CC=CC(=C1)C)C, Annotation [C8H10O-2H]+, Rule of HR False", "122.06016": "Theoretical m/z 122.060589, Mass diff 0 (0 ppm), Formula C7H8NO", "136.07611": "Theoretical m/z 136.075687, Mass diff 0 (3.11 ppm), SMILES OC1=CC=C(C=C1)N(C)C, Annotation [C8H11NO-H]+, Rule of HR True", "137.08363": "Theoretical m/z 137.083512, Mass diff 0 (0.86 ppm), SMILES OC1=CC=C(C=C1)N(C)C, Annotation [C8H11NO]+, Rule of HR False", "152.10725": "Theoretical m/z 152.106993, Mass diff 0 (1.69 ppm), SMILES OC1=CC=C(C(=C1)C)N(C)C, Annotation [C9H13NO+H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Aminocarb_2", "retention_time": 1.13997, "precursor_mz": 209.129, "collision_energy": "", "peaks_json": [[120.05733, 247123.0], [122.06016, 2666029.0], [136.07611, 1253139.0], [137.08363, 12201258.0], [152.10725, 242082.0]]}, {"scannumber": "687", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H20N2O2", "inchikey": "WZZLDXDUQPOXNW-UHFFFAOYSA-N", "inchi": "", "smiles": "CCCOC(=NCCCN(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"86.0966": "Theoretical m/z 86.096424, Mass diff 0 (2.05 ppm), SMILES N(C)(C)CCC, Annotation [C5H13N-H]+, Rule of HR True", "102.05516": "Theoretical m/z 102.054958, Mass diff 0 (1.98 ppm), SMILES N=C(O)OCCC, Annotation [C4H9NO2-H]+, Rule of HR True"}, "num_peaks": "2", "compound_name": "Propamocarb_1", "retention_time": 0.7535679, "precursor_mz": 189.1603, "collision_energy": "", "peaks_json": [[86.0966, 201548.0], [102.05516, 5038638.0]]}, {"scannumber": "1108", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C9H20N2O2", "inchikey": "WZZLDXDUQPOXNW-UHFFFAOYSA-N", "inchi": "", "smiles": "CCCOC(=NCCCN(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"86.0966": "Theoretical m/z 86.096424, Mass diff 0 (2.05 ppm), SMILES N(C)(C)CCC, Annotation [C5H13N-H]+, Rule of HR True", "102.05516": "Theoretical m/z 102.054958, Mass diff 0 (1.98 ppm), SMILES N=C(O)OCCC, Annotation [C4H9NO2-H]+, Rule of HR True"}, "num_peaks": "2", "compound_name": "Propamocarb_2", "retention_time": 1.081971, "precursor_mz": 189.1603, "collision_energy": "", "peaks_json": [[86.0966, 107829.0], [102.05516, 2507023.0]]}, {"scannumber": "711", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H15N3O2", "inchikey": "MYPKGPZHHQEODQ-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1cccc(c1)N=CN(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"93.03365": "Theoretical m/z 93.033489, Mass diff 0 (1.73 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O-H]+, Rule of HR True", "107.04935": "Theoretical m/z 107.049144, Mass diff 0 (1.92 ppm), SMILES O(C=1C=CC=CC1)C, Annotation [C7H8O-H]+, Rule of HR True", "111.04435": "Theoretical m/z 111.044604, Mass diff 0 (0 ppm), Formula C6H7O2", "118.04142": "Theoretical m/z 118.041865, Mass diff 0 (0 ppm), Formula C8H6O", "120.04462": "Theoretical m/z 120.044391, Mass diff 0 (1.91 ppm), SMILES OC1=CC=CC(N=C)=C1, Annotation [C7H7NO-H]+, Rule of HR True", "121.03984": "Theoretical m/z 121.040188, Mass diff 0 (0 ppm), Formula C6H5N2O", "122.06016": "Theoretical m/z 122.060041, Mass diff 0 (0.97 ppm), SMILES OC1=CC=CC(N=C)=C1, Annotation [C7H7NO+H]+, Rule of HR True", "165.1024": "Theoretical m/z 165.102232, Mass diff 0 (1.02 ppm), SMILES OC1=CC=CC(N=CN(C)C)=C1, Annotation [C9H12N2O+H]+, Rule of HR True"}, "num_peaks": "13", "compound_name": "Formetanate_1", "retention_time": 0.7730471, "precursor_mz": 222.1239, "collision_energy": "", "peaks_json": [[93.03365, 1796.0], [107.04935, 1981.0], [111.04435, 82262.0], [118.04142, 1927.0], [120.04462, 150907.0], [121.03984, 67610.0], [122.06016, 5909.0], [122.75254, 1678.0], [150.98424, 1930.0], [165.1024, 143887.0], [173.50876, 2616.0], [200.05632, 2056.0], [208.52768, 2170.0]]}, {"scannumber": "1161", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C11H15N3O2", "inchikey": "MYPKGPZHHQEODQ-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1cccc(c1)N=CN(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"91.05441": "Theoretical m/z 91.054775, Mass diff 0 (0 ppm), Formula C7H7", "93.03365": "Theoretical m/z 93.033489, Mass diff 0 (1.73 ppm), SMILES OC=1C=CC=CC1, Annotation [C6H6O-H]+, Rule of HR True", "107.04935": "Theoretical m/z 107.049144, Mass diff 0 (1.92 ppm), SMILES O(C=1C=CC=CC1)C, Annotation [C7H8O-H]+, Rule of HR True", "111.04435": "Theoretical m/z 111.044604, Mass diff 0 (0 ppm), Formula C6H7O2", "115.05429": "Theoretical m/z 115.054775, Mass diff 0 (0 ppm), Formula C9H7", "117.06996": "Theoretical m/z 117.070425, Mass diff 0 (0 ppm), Formula C9H9", "118.04177": "Theoretical m/z 118.041865, Mass diff 0 (0 ppm), Formula C8H6O", "120.04462": "Theoretical m/z 120.044391, Mass diff 0 (1.91 ppm), SMILES OC1=CC=CC(N=C)=C1, Annotation [C7H7NO-H]+, Rule of HR True", "121.03984": "Theoretical m/z 121.040188, Mass diff 0 (0 ppm), Formula C6H5N2O", "122.06016": "Theoretical m/z 122.060041, Mass diff 0 (0.97 ppm), SMILES OC1=CC=CC(N=C)=C1, Annotation [C7H7NO+H]+, Rule of HR True", "124.07605": "Theoretical m/z 124.075689, Mass diff 0 (2.91 ppm), SMILES O(C1=CC=CC(N)=C1)C, Annotation [C7H9NO+H]+, Rule of HR True", "135.04427": "Theoretical m/z 135.044604, Mass diff 0 (0 ppm), Formula C8H7O2", "145.06488": "Theoretical m/z 145.06534, Mass diff 0 (0 ppm), Formula C10H9O", "165.1024": "Theoretical m/z 165.102232, Mass diff 0 (1.02 ppm), SMILES OC1=CC=CC(N=CN(C)C)=C1, Annotation [C9H12N2O+H]+, Rule of HR True"}, "num_peaks": "15", "compound_name": "Formetanate_2", "retention_time": 1.13043, "precursor_mz": 222.1239, "collision_energy": "", "peaks_json": [[91.05441, 6330.0], [93.03365, 27201.0], [107.04935, 4024.0], [111.04435, 131558.0], [115.05429, 3711.0], [117.06996, 5571.0], [118.04177, 4476.0], [120.04462, 274740.0], [121.03984, 113412.0], [122.06016, 7843.0], [124.07605, 4049.0], [135.04427, 4178.0], [145.06488, 3067.0], [164.95049, 3848.0], [165.1024, 263802.0]]}, {"scannumber": "1328", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C12H18N2O2", "inchikey": "YNEVBPNZHBAYOA-UHFFFAOYSA-N", "inchi": "", "smiles": "CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"134.07283": "Theoretical m/z 134.072623, Mass diff 0 (1.55 ppm), SMILES O(C=1C=C(C=C(C1)C)C)C, Annotation [C9H12O-2H]+, Rule of HR False", "136.07611": "Theoretical m/z 136.076239, Mass diff 0 (0 ppm), Formula C8H10NO", "150.092": "Theoretical m/z 150.091343, Mass diff 0.001 (4.38 ppm), SMILES OC1=CC=C(C(=C1)C)N(C)C, Annotation [C9H13NO-H]+, Rule of HR True", "151.09932": "Theoretical m/z 151.099168, Mass diff 0 (1.01 ppm), SMILES OC1=CC=C(C(=C1)C)N(C)C, Annotation [C9H13NO]+, Rule of HR False", "166.12282": "Theoretical m/z 166.122633, Mass diff 0 (1.13 ppm), SMILES OC=1C=C(C(=C(C1)C)N(C)C)C, Annotation [C10H15NO+H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Mexacarbate", "retention_time": 1.682191, "precursor_mz": 223.1443, "collision_energy": "", "peaks_json": [[134.07283, 2632951.0], [136.07611, 26036728.0], [150.092, 1572118.0], [151.09932, 54847764.0], [166.12282, 1541928.0]]}, {"scannumber": "3999", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C19H21N2OCl", "inchikey": "OGYFATSSENRIKG-UHFFFAOYSA-N", "inchi": "", "smiles": "Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"89.03881": "Theoretical m/z 89.038575, Mass diff 0 (2.63 ppm), SMILES C=1C=CC(=CC1)C, Annotation [C7H8-3H]+, Rule of HR True", "94.06543": "Theoretical m/z 94.065123, Mass diff 0 (3.27 ppm), SMILES NC=1C=CC=CC1, Annotation [C6H7N+H]+, Rule of HR True", "106.06545": "Theoretical m/z 106.065123, Mass diff 0 (3.09 ppm), SMILES N(=C)C=1C=CC=CC1, Annotation [C7H7N+H]+, Rule of HR True", "125.01532": "Theoretical m/z 125.015255, Mass diff 0 (0.52 ppm), SMILES ClC1=CC=C(C=C1)C, Annotation [C7H7Cl-H]+, Rule of HR True"}, "num_peaks": "5", "compound_name": "Monceren", "retention_time": 7.14553, "precursor_mz": 329.1426, "collision_energy": "", "peaks_json": [[89.03881, 550831.0], [94.06543, 635265.0], [106.06545, 446416.0], [125.01307, 512150.0], [125.01532, 37442116.0]]}, {"scannumber": "2271", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C16H16N2O4", "inchikey": "WZJZMXBKUWKXTQ-UHFFFAOYSA-N", "inchi": "", "smiles": "CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"136.03947": "Theoretical m/z 136.03931, Mass diff 0 (1.18 ppm), SMILES OC(O)=NC=1C=CC=CC1, Annotation [C7H7NO2-H]+, Rule of HR True", "154.04993": "Theoretical m/z 154.049864, Mass diff 0 (0.43 ppm), SMILES OC(O)=NC=1C=CC=C(O)C1, Annotation [C7H7NO3+H]+, Rule of HR True", "182.08162": "Theoretical m/z 182.081175, Mass diff 0 (2.45 ppm), SMILES OC(=NC=1C=CC=C(O)C1)OCC, Annotation [C9H11NO3+H]+, Rule of HR True"}, "num_peaks": "3", "compound_name": "Desmedipham", "retention_time": 6.430396, "precursor_mz": 301.1192, "collision_energy": "", "peaks_json": [[136.03947, 1773399.0], [154.04993, 1002798.0], [182.08162, 6480130.0]]}, {"scannumber": "2458", "precursortype": "[M+H]+", "ionmode": "positive", "spectrumtype": "Centroid", "formula": "C16H16N2O4", "inchikey": "IDOWTHOLJBTAFI-UHFFFAOYSA-N", "inchi": "", "smiles": "COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O", "authors": "Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)", "instrument": "LC Orbitrap Fusion Tribrid MS", "instrumenttype": "LC-ESI-Orbitrap", "ionization": "ESI+", "license": "CC BY-NC", "comment": "", "peak_comments": {"136.03947": "Theoretical m/z 136.03931, Mass diff 0 (1.18 ppm), SMILES OC(O)=NC=1C=CC=CC1, Annotation [C7H7NO2-H]+, Rule of HR True", "168.06587": "Theoretical m/z 168.065519, Mass diff 0 (2.09 ppm), SMILES OC(=NC=1C=CC=C(O)C1)OC, Annotation [C8H9NO3+H]+, Rule of HR True"}, "num_peaks": "2", "compound_name": "Phenmedipham", "retention_time": 6.570995, "precursor_mz": 301.1185, "collision_energy": "", "peaks_json": [[136.03947, 2596929.0], [168.06587, 7038054.0]]}], "queries": [{"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "45", "compound_name": "C019", "retention_time": 688.11, "retention_index": 4135.446429, "peaks_json": [[70.261357375322, 1769331.0], [82.0777101637279, 1721684.0], [92.0256956423549, 1063403.0], [104.057597689888, 2564581.0], [106.07773010104, 1697865.0], [118.073139793174, 3070732.0], [135.080430341161, 1465718.0], [144.946939559008, 1208427.0], [145.046705119092, 2856482.0], [164.985419247789, 16217649.0], [179.033979756352, 10865004.0], [180.980322946522, 4830502.0], [191.070496682473, 3188459.0], [192.078428243192, 3993484.0], [194.04893073403, 5942766.0], [195.046783458568, 4544081.0], [211.026857856803, 2083491.0], [213.039588698474, 3950087.0], [213.998834302427, 1664182.0], [248.988380501455, 23053112.0], [251.037178293, 10860752.0], [265.054817014529, 3722747.0], [265.089588392487, 3283162.0], [283.099929585291, 13668779.0], [313.053040045895, 8388200.0], [329.031653006854, 6682061.0], [341.157248840923, 18181095.0], [385.022947628725, 6484159.0], [399.075287615392, 4270821.0], [401.053681557414, 30562249.0], [401.124275228471, 4559258.0], [403.051400482668, 5874830.0], [415.106669687654, 54985895.0], [416.107049345269, 18386437.0], [417.104122333661, 8837789.0], [476.073864807294, 4515967.0], [489.124198650628, 43332063.0], [535.10922525834, 9870959.0], [536.110887614382, 4207959.0], [550.163296442538, 12203065.0], [551.161445828019, 6205283.0], [564.146181690587, 6031009.0], [609.130287444605, 3608658.0], [623.183150220198, 13681871.0], [638.166995588673, 2404616.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "102", "compound_name": "C008", "retention_time": 383.25, "retention_index": 2436.111111, "peaks_json": [[78.7781680742475, 2556976.0], [82.0287864194648, 8611959.0], [85.0104542195255, 4745054.0], [92.0495708428228, 5241931.0], [95.0491933558967, 2316015.0], [96.0078464060989, 4720367.0], [99.0260585452107, 42333146.0], [100.025652771381, 2210104.0], [100.029460129111, 1981052.0], [101.005418898448, 6144105.0], [101.02272083003, 3343084.0], [106.894747495922, 3789804.0], [108.892716700199, 4700928.0], [108.910416566696, 4697413.0], [110.908317235236, 3641673.0], [111.026121150586, 7898189.0], [113.034483087363, 1496932.0], [116.02876233702, 10183471.0], [119.015881013881, 1977959.0], [120.04434550515, 4465533.0], [125.034561908395, 2616569.0], [125.041780188163, 5642602.0], [126.036944910833, 5772477.0], [128.076372883456, 5931740.0], [136.941645253989, 15500747.0], [138.000329453771, 4425123.0], [138.939672935419, 14601520.0], [140.065140977456, 18496952.0], [142.044407303719, 9098154.0], [144.053483905356, 7606120.0], [145.067857890803, 7879741.0], [148.039287263976, 7328850.0], [153.036553916572, 14858551.0], [153.047854996355, 18125030.0], [156.059954180827, 5934059.0], [159.065697727649, 7272776.0], [167.06348032557, 99885797.0], [168.047501694808, 12449580.0], [168.068381413815, 19985484.0], [169.042872715042, 111801595.0], [170.045964437299, 9501453.0], [170.069851541155, 17765150.0], [171.039411915043, 2980892.0], [171.04718236227, 9542984.0], [177.039637442155, 5983921.0], [181.042632909891, 3502669.0], [183.058412555312, 14609802.0], [184.090614336983, 12693765.0], [185.073952424469, 56878550.0], [187.05314814224, 24897096.0], [187.070922888834, 7169841.0], [196.065548645302, 32801154.0], [201.076259513554, 6881178.0], [202.082996186392, 9963473.0], [203.091832141757, 11700196.0], [209.037561708176, 19568054.0], [215.091944217113, 45540404.0], [222.057912826487, 2321839.0], [224.061333736415, 316557240.0], [225.065854975194, 19218426.0], [226.057739905584, 15581615.0], [236.073581688389, 2890476.0], [241.084284214072, 266918712.0], [242.082852727802, 22182180.0], [242.113808861118, 31247515.0], [243.086918863664, 418906552.0], [244.087879713351, 32875754.0], [245.083884694317, 34083070.0], [245.102418520421, 496282494.0], [246.086942052118, 3927488.0], [246.104381502147, 46108369.0], [247.099256838605, 36816530.0], [255.098049725945, 44949432.0], [256.106489502489, 8942901.0], [257.113614660022, 348115589.0], [258.111154671539, 225329343.0], [260.106019952582, 13589581.0], [271.092946448454, 7106328.0], [283.092863658205, 12296168.0], [286.116540700788, 28928426.0], [299.123756429973, 23938922.0], [311.123743598071, 31911930.0], [313.103545925114, 15964826.0], [314.112019059855, 17126844.0], [315.119168534318, 139091990.0], [316.121760954668, 27755274.0], [317.115671168554, 8395068.0], [323.124134194834, 9863681.0], [329.153271349021, 8326999.0], [337.102993453864, 8384083.0], [339.1186928632, 11546547.0], [348.159939085995, 19818089.0], [356.134585694723, 9393398.0], [357.165585898507, 25573691.0], [371.163524965519, 21473801.0], [386.150201697644, 5663547.0], [427.153325080958, 3790746.0], [437.149979973353, 2944822.0], [517.203234692442, 22966974.0], [518.205129851345, 10282418.0], [519.202327050065, 5767781.0], [535.215134330149, 3167063.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "160", "compound_name": "C001", "retention_time": 268.99, "retention_index": 1800.989583, "peaks_json": [[72.0389617714179, 56416115.0], [76.0256553376053, 49220925.0], [76.0295086554853, 17884882.0], [77.0053275563467, 26589154.0], [83.0127800769552, 72764369.0], [83.031134902227, 10179311.0], [86.7773291870617, 23734479.0], [87.0624748029292, 7498889.0], [93.7759098981009, 12284319.0], [97.0468722156908, 49324192.0], [99.0260406168298, 118701269.0], [103.002983736029, 18397693.0], [106.894754414816, 8004841.0], [111.007632749245, 107433124.0], [117.018501739727, 52467543.0], [131.034273710906, 359133132.0], [133.013526291087, 493499083.0], [133.031172492717, 17650343.0], [135.01033343891, 29110842.0], [135.029247366931, 21569969.0], [135.046364355946, 10818621.0], [136.941594609304, 50570227.0], [138.939618370595, 53903907.0], [139.002532294836, 49931624.0], [139.056768289213, 98175121.0], [141.036538750422, 115707572.0], [141.084158860874, 74023269.0], [142.104641843961, 441884594.0], [143.015834635052, 48987316.0], [143.052340331432, 420396997.0], [143.10428859825, 31762860.0], [143.107947705172, 44080773.0], [145.049469553608, 40966670.0], [147.065597668017, 3426705457.0], [148.066687703799, 456715218.0], [149.044686744287, 2485055493.0], [149.051982158561, 15135407.0], [149.062214633403, 244773900.0], [149.068434618167, 23246006.0], [150.04583614918, 369731636.0], [150.064532557665, 20279235.0], [151.023931616767, 305971501.0], [151.041613361558, 216314524.0], [152.023573104507, 39184709.0], [155.052170983022, 14728905.0], [157.031392134453, 61582084.0], [157.049811244805, 28679691.0], [159.046994608899, 9542515.0], [159.112043200462, 43124161.0], [163.096936467212, 259054581.0], [164.096242459652, 39496478.0], [165.093540352647, 75534890.0], [167.05522365918, 82592725.0], [168.054993436637, 9530750.0], [169.031329681702, 63326558.0], [171.010634911705, 74220303.0], [173.044685418755, 35853332.0], [177.039641177724, 20626924.0], [183.047097257536, 4559958550.0], [183.057249262756, 17431309.0], [184.046358120662, 106511561.0], [184.050443416, 414898624.0], [185.026407772471, 30996555.0], [185.043991660752, 154888217.0], [185.050867499577, 29446895.0], [185.062853536402, 75038250.0], [186.047199218887, 20807119.0], [191.037148572664, 28320845.0], [191.05526102196, 16327982.0], [195.094677873356, 7614346.0], [197.059793589486, 8688331.0], [201.039634295494, 20060252.0], [201.057764327742, 27419375.0], [211.041705745044, 1447339674.0], [212.041045979022, 25597653.0], [212.046025666707, 122581545.0], [213.021020474351, 91489413.0], [213.0391072084, 57195084.0], [214.144261002848, 35457490.0], [215.05549778228, 201625005.0], [215.091952078065, 46374386.0], [216.055525333011, 17909976.0], [217.03448664281, 74746711.0], [217.052170715974, 20626232.0], [218.071997852185, 19993432.0], [219.067881752754, 18067688.0], [222.082854522646, 135778814.0], [223.081182745765, 99300044.0], [223.08893130958, 16433468.0], [229.071095584099, 18581195.0], [232.085631037087, 26441905.0], [233.083493178908, 22919204.0], [237.114642446406, 27809453.0], [239.094719461519, 123875816.0], [240.093989220693, 10465340.0], [241.091358474241, 15998965.0], [243.050410724226, 30433441.0], [244.094291460025, 51273034.0], [245.029458131547, 23650783.0], [245.102463054765, 410722160.0], [246.103646000958, 29809430.0], [254.113905808742, 22337484.0], [257.066031671279, 2765507323.0], [258.06825165759, 197732377.0], [259.045756297035, 43018820.0], [259.063114651546, 129205654.0], [259.070275285318, 18682083.0], [259.081366811747, 116924177.0], [259.141876089913, 14942245.0], [260.066192507073, 34929695.0], [271.082012120742, 19885715.0], [271.984081051135, 9431717.0], [272.089691979189, 22169503.0], [273.079719357873, 78308182.0], [273.097313808265, 16543374969.0], [273.118950007375, 92869850.0], [274.099806030141, 2287536735.0], [274.217141933613, 13039644.0], [275.076294945676, 7983986.0], [275.094216227449, 981222446.0], [275.102436109944, 129418610.0], [276.099267515345, 122244937.0], [277.090215982851, 33999808.0], [285.061379459212, 303738160.0], [286.062906536822, 68620774.0], [287.040073409788, 51679456.0], [291.090077299697, 14024565.0], [301.092508128805, 68301704.0], [303.125948109573, 351901308.0], [304.126475755685, 52106541.0], [305.105961546843, 74641578.0], [305.141578526376, 704639078.0], [306.106418430419, 10669352.0], [306.142348989784, 108317196.0], [307.137660131412, 71896338.0], [319.121110115292, 121722887.0], [320.121965587385, 18034460.0], [331.085397367351, 45683149.0], [331.120777785729, 82200798.0], [333.100808283225, 57324043.0], [334.101214968996, 15734107.0], [345.136450879654, 36564648.0], [347.116266654718, 1786077575.0], [348.117170455813, 502372522.0], [349.111470583401, 192929894.0], [350.114867228446, 38403869.0], [363.147239489188, 501421400.0], [364.14867021705, 132299410.0], [365.143392649651, 42979349.0], [373.13035299357, 19528621.0], [375.111094687722, 568049382.0], [376.111995370639, 271597888.0], [377.106990479324, 108165315.0], [378.108779821015, 22975281.0], [420.247671297531, 27440183.0], [421.171688653814, 10506179.0], [437.166396736386, 13112392.0], [465.161043379028, 95478801.0], [466.161597834963, 34006381.0], [467.158862655379, 15850483.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "75", "compound_name": "C010", "retention_time": 271.76, "retention_index": 1815.416667, "peaks_json": [[74.0648599976579, 2331310.0], [74.0982071329357, 3142939.0], [76.0323849976885, 41159396.0], [76.0656850092731, 960931.0], [77.0318554097471, 3598305.0], [77.0356123879505, 802203.0], [78.0292364748547, 1630024.0], [78.0968370928729, 805407.0], [78.126403291789, 3508136.0], [88.0656518070162, 3106235.0], [89.1201327533686, 992913.0], [90.0931616108975, 1791039.0], [90.1264570206002, 4857057.0], [92.1071978257648, 1045033.0], [94.1545338523452, 1447377.0], [102.12638819522, 975325.0], [104.093832270658, 1123315.0], [106.121149318186, 1509883.0], [106.154615341325, 4796750.0], [107.129167494293, 13689262.0], [108.055341626043, 819902.0], [108.135284721264, 2737937.0], [110.182750747843, 1218393.0], [118.154533734757, 2252994.0], [120.048795134363, 3118905.0], [120.05545372843, 56476390.0], [121.054939976441, 2509121.0], [121.058853766603, 2346478.0], [121.143231934286, 1530140.0], [122.05225135748, 2219120.0], [122.149384569157, 5315545.0], [122.182667284706, 1784125.0], [132.054968772294, 50763489.0], [134.182677176262, 1063888.0], [136.084083848357, 13966342.0], [137.059767795561, 3523393.0], [137.086878523654, 1417796.0], [138.065827841144, 3737295.0], [138.177598969977, 8467784.0], [148.083736037499, 5722935.0], [149.092952214733, 5539138.0], [164.111658794654, 4781676.0], [165.121264645112, 1118782.0], [180.139897761474, 1839367.0], [186.261753445419, 1688923.0], [195.161718039649, 597703.0], [196.16779925966, 5153378.0], [212.196331609314, 1044901.0], [213.205413147112, 4823461.0], [214.178492134033, 872909.0], [226.089494356547, 3428859.0], [229.234200053831, 1071342.0], [244.252742066233, 899323.0], [259.274769771321, 597513.0], [260.281072617886, 2767658.0], [261.290643863973, 1208492.0], [268.404490305895, 1198600.0], [276.312141526377, 951628.0], [277.318313142441, 3816700.0], [293.346593882399, 726925.0], [309.375250457867, 899895.0], [310.381078919844, 4659988.0], [311.387345297053, 24286684.0], [312.394070075839, 77119451.0], [313.396963036504, 15398452.0], [314.390552944335, 3065575.0], [314.399778898154, 1276942.0], [326.410558591205, 1457581.0], [327.385217336887, 700689.0], [327.416815902898, 1481974.0], [328.391885626277, 2521764.0], [329.397982197985, 13276722.0], [330.403963356557, 41962736.0], [331.407288294656, 8294118.0], [332.4002214553, 1539765.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "79", "compound_name": "C009", "retention_time": 224.1, "retention_index": 1606.578947, "peaks_json": [[70.0651474139309, 139112424.0], [71.0684902270135, 7777594.0], [74.0420803705567, 172011602.0], [76.0389064937465, 12494321.0], [80.0494584523359, 10633142.0], [83.0311553711466, 9481154.0], [83.0365713984882, 11928816.0], [84.0444187108419, 781379004.0], [85.0475543482753, 29552029.0], [92.0526415544073, 23291723.0], [96.0263971718118, 8694130.0], [97.0760843858935, 5191823.0], [98.0420971537648, 44148659.0], [110.042094933292, 17569164.0], [112.057757845851, 120425308.0], [113.060878117354, 11530464.0], [113.065475349947, 29433959.0], [115.068660545159, 14885084.0], [117.096785073614, 41610153.0], [128.088974937905, 3176257102.0], [129.084336283751, 31726391.0], [129.088599822012, 154452062.0], [129.092243327164, 193059260.0], [130.085882872455, 105974980.0], [130.091953806764, 12436064.0], [142.104728421893, 1378680520.0], [143.099515155453, 17230789.0], [143.104305019259, 69973033.0], [143.107987575828, 104807155.0], [144.101457214594, 47262430.0], [144.107604158414, 87979954.0], [147.09517119681, 9341143.0], [154.068219317632, 44835481.0], [157.067782241913, 61769597.0], [157.115438273807, 22409692.0], [158.063016986513, 148590120.0], [162.089012638044, 38410164.0], [163.112375602318, 67297177.0], [163.116061438833, 29137485.0], [166.071517232473, 2637997.0], [169.091734615225, 7240314.0], [169.115450239152, 13324067.0], [176.091971992079, 11420700.0], [198.076865393911, 11317317.0], [202.107669445246, 99282092.0], [216.050840264917, 25368748.0], [216.123457137849, 89587360.0], [217.125002543748, 19623810.0], [227.103101110301, 34734291.0], [230.102912184687, 1431679218.0], [232.099695135799, 98655211.0], [236.131918237478, 28315772.0], [240.087635671579, 8305788.0], [241.154860899519, 32994751.0], [243.134204923439, 100268651.0], [244.118620160097, 81705892.0], [245.126148690942, 84188858.0], [246.118713398318, 68986602.0], [246.13394892703, 10503956854.0], [247.135560589937, 1079597157.0], [248.130785854386, 761465084.0], [249.135473253515, 64125725.0], [258.157992411573, 33386236.0], [259.141670012822, 42922962.0], [260.094530835753, 26697267.0], [273.121623153072, 26043763.0], [274.12860026311, 102801870.0], [275.131105637184, 14079930.0], [330.136661226378, 17935324.0], [332.115055198097, 33155258.0], [348.147799838405, 311563864.0], [349.148833391025, 70017143.0], [349.20868703784, 42455220.0], [350.144280194407, 39912646.0], [350.2040314465, 121155420.0], [363.171374525576, 196318825.0], [363.175076842359, 32440531.0], [364.172728479024, 53615436.0], [365.168566275393, 17869772.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "60", "compound_name": "C011", "retention_time": 322.28, "retention_index": 2083.777778, "peaks_json": [[76.283885200383, 48758943.0], [76.5338715278987, 7330057.0], [81.033530773467, 24285748.0], [103.057424266746, 75855115.0], [111.026113437095, 11609338.0], [125.041734730414, 4160199.0], [143.052306505082, 69840390.0], [144.053895325187, 9336526.0], [153.072839624251, 4520937.0], [177.076273317809, 24683428.0], [181.067313356117, 5000321.0], [189.076124128862, 137616624.0], [191.091545005862, 1271941341.0], [192.093082227574, 162051910.0], [193.088516871839, 79021596.0], [203.05526208632, 7596834.0], [203.091758399588, 16094434.0], [204.099524919261, 479242795.0], [205.053116336146, 17657713.0], [205.070877855025, 12997271.0], [205.098648436094, 35529589.0], [206.096652118325, 38137097.0], [207.068717751505, 5872517.0], [215.091963730439, 57346579.0], [217.071268460144, 101151529.0], [217.107439740029, 3008061011.0], [217.120599219026, 18976724.0], [218.071421909215, 7584138.0], [218.111157422962, 135615929.0], [219.067855798403, 8668305.0], [221.084188869749, 459386964.0], [222.082806852273, 62375377.0], [223.081082300298, 43091167.0], [228.099433659776, 13084548.0], [239.055166037926, 12858835.0], [239.094698448033, 55801273.0], [241.091558016218, 4820209.0], [255.086475307821, 14656926.0], [265.110639707297, 430889044.0], [266.110398522331, 62537248.0], [267.107664435978, 35879260.0], [291.126272427249, 232033331.0], [293.122582892229, 21633679.0], [303.125958014117, 19190277.0], [304.134521280581, 20404876.0], [305.141591931944, 3473641239.0], [306.142075983677, 691061412.0], [307.137742387683, 338327260.0], [308.140557563281, 44039918.0], [316.133244628652, 16028985.0], [317.142174241451, 23656199.0], [318.149353523284, 1793017305.0], [329.142182403421, 12334206.0], [343.156260753335, 85679829.0], [344.158945743286, 19266508.0], [367.160275896842, 105372219.0], [392.168333222764, 7002831.0], [393.176681587806, 80010031.0], [432.200378434683, 189476983.0], [433.206131669451, 102761038.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "55", "compound_name": "C013", "retention_time": 471.03, "retention_index": 3168.684211, "peaks_json": [[78.0419730877832, 2368518.0], [78.0464517452347, 27659608.0], [80.0575686138474, 4852405.0], [80.0620726266786, 4335717.0], [82.077723849543, 3241627.0], [84.0889032082991, 2934749.0], [85.1012327448111, 8558262.0], [92.0621020014837, 11793478.0], [96.0889143149327, 18526121.0], [98.1045714716139, 4956771.0], [112.120196247652, 2328365.0], [118.073209605885, 6628830.0], [124.120146441277, 10267058.0], [125.132492269073, 14066785.0], [127.057380136281, 12437446.0], [130.080821990819, 8893887.0], [134.108970068474, 12657216.0], [139.148071045442, 3719823.0], [141.070083319782, 9973131.0], [144.093492865764, 5476298.0], [148.120067269518, 10514748.0], [151.057275342057, 8171723.0], [155.087332200892, 36078426.0], [156.092934927972, 5701562.0], [160.039216264642, 6051499.0], [168.096079823693, 12854502.0], [170.108456088609, 2102886.0], [172.120083708266, 5486472.0], [172.124571647352, 4753634.0], [194.197954365635, 1845731.0], [207.101729466849, 212452545.0], [209.135564514886, 2376859.0], [222.094125600635, 10427549.0], [228.187305885476, 10580455.0], [235.151268874707, 6223489.0], [242.19810450196, 1584414.0], [257.217653559754, 1323921.0], [264.10498266712, 7730254.0], [286.129147867981, 12690420.0], [297.257846347009, 7339027.0], [300.280767325326, 2056178.0], [303.213698613085, 7998748.0], [311.273627575072, 8091654.0], [312.277993856253, 1416664.0], [313.053036971607, 25723968.0], [314.296557915216, 11593408.0], [345.260912454812, 10465506.0], [353.320009154806, 61523306.0], [355.326724319955, 3463336.0], [357.136488012862, 9980274.0], [416.346688843113, 1895680.0], [430.361629333123, 1348470.0], [457.382680900654, 882862.0], [624.30876303981, 31553514.0], [626.306607666438, 7713203.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "32", "compound_name": "C041", "retention_time": 122.44, "retention_index": 1079.198718, "peaks_json": [[73.0841293753643, 962537.0], [92.9922681974622, 25809589.0], [93.5236243719193, 7832508.0], [93.9918503397022, 4037554.0], [94.9892593290089, 9273560.0], [102.528897846033, 5258508.0], [103.032878700634, 5618676.0], [106.048287181011, 17919228.0], [116.082937025519, 19358163.0], [116.088997408008, 2749072817.0], [116.093789141941, 21174548.0], [117.085953932526, 5958559.0], [117.088526521735, 137197201.0], [117.09226575013, 144026411.0], [117.095343138483, 3078493.0], [118.085738968471, 93658275.0], [118.091857064635, 7792967.0], [118.095506285782, 3082221.0], [120.088840757968, 158124.0], [129.052817882804, 2757896.0], [144.047597981883, 6935455.0], [154.03180616847, 40749504.0], [155.035134922158, 4354801.0], [156.011148185837, 2560241.0], [172.042203916163, 16922092.0], [178.047197818956, 372134.0], [190.107642341182, 143044792.0], [191.109992585577, 20336483.0], [192.104283767627, 9359612.0], [204.050979060253, 4818700.0], [205.059630310281, 24572956.0], [244.042971889438, 1521120.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "26", "compound_name": "C050", "retention_time": 128.53, "retention_index": 1117.761905, "peaks_json": [[72.0264235348245, 4721310.0], [75.0234110401587, 7374271.0], [75.0288404069534, 9420937.0], [86.9717728755449, 9553539.0], [88.9509947069327, 6380434.0], [97.088645546243, 920854.0], [100.00330732202, 18214503.0], [102.073359041231, 484549126.0], [103.002973695426, 21838182.0], [105.0182950443, 11385761.0], [108.947110640446, 3717342.0], [111.104289675305, 332703.0], [121.013504188071, 6619997.0], [125.115354944476, 203282.0], [126.07873680909, 3985431.0], [126.09126504704, 166277.0], [135.029243788737, 15067415.0], [136.028743365687, 1890760.0], [138.12768595069, 120407.0], [139.135466943364, 514343.0], [141.114666977312, 105023.0], [154.12267450124, 570893.0], [155.125838888868, 379417.0], [164.056158349268, 17940696.0], [169.146107075272, 101177.0], [202.089475090678, 1676418.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "21", "compound_name": "C069", "retention_time": 130.09, "retention_index": 1125.190476, "peaks_json": [[86.0056992427902, 2711333.0], [101.02092811015, 3817939.0], [102.01824104698, 2389368.0], [103.044500912426, 2599397.0], [134.021244935394, 7182554.0], [146.008780268064, 1367318.0], [147.080421965043, 14473000.0], [148.078270560108, 1986369.0], [150.063347848235, 15005563.0], [160.024341555837, 18657982.0], [161.023889637628, 2526313.0], [162.021068924533, 1259410.0], [162.08910170411, 10872364.0], [163.08856145602, 1564931.0], [164.085896362468, 2996801.0], [192.068147602328, 1778215.0], [205.093030465047, 15763166.0], [220.081704158572, 39287616.0], [235.106747182104, 27798083.0], [236.106761692076, 1814974.0], [237.101952207865, 2170725.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "52", "compound_name": "C014", "retention_time": 149.98, "retention_index": 1221.770833, "peaks_json": [[71.0059844923227, 3825886.0], [71.9719666199499, 2166479.0], [71.9900274909774, 5812873.0], [74.0056852185202, 1536988.0], [74.0420925124285, 85880395.0], [79.0160789578856, 8574277.0], [85.0216594051064, 4514728.0], [87.031715406872, 3536909.0], [88.0207532276727, 7725109.0], [96.0370376132644, 1390446.0], [97.026526300911, 1733657.0], [99.0373282728119, 46094181.0], [100.040639660483, 1317843.0], [101.016609964186, 4393447.0], [101.034181851708, 2732012.0], [101.982609735342, 9545469.0], [102.000154630876, 3315030.0], [114.02337740682, 1266787.0], [115.998233384024, 4797001.0], [116.002585802064, 3777476.0], [116.999837201447, 3953446.0], [119.027195812781, 3269929.0], [124.124646735598, 2915545.0], [126.977832876968, 2581375.0], [128.993436567228, 1392319.0], [134.008812371911, 2838933.0], [139.014200420375, 5051498.0], [141.02968959348, 1858095.0], [143.008967679257, 1557248.0], [148.078032847282, 11287010.0], [150.057633341253, 2497984.0], [153.047823262435, 6054496.0], [155.045390031855, 1862038.0], [156.029483507169, 6196916.0], [157.024814767971, 15561377.0], [158.024371181576, 2235917.0], [159.040363777896, 6614978.0], [171.076628128387, 174884309.0], [173.056092525207, 246443371.0], [173.073320230047, 11930444.0], [174.055469266463, 32241937.0], [174.064431830768, 4896433.0], [175.052942497634, 10359429.0], [188.079602574762, 3753549.0], [189.087411152082, 1350660743.0], [189.102579433817, 5548747.0], [191.066172973803, 28653602.0], [192.066343508406, 3746252.0], [192.085666376903, 5235061.0], [193.062734540397, 1479505.0], [204.110859488613, 15338874.0], [248.077454886349, 1066716.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "37", "compound_name": "C029", "retention_time": 153.57, "retention_index": 1240.46875, "peaks_json": [[70.0777148746335, 4628348.0], [71.0311889268447, 10348800.0], [72.0264171131849, 4675511.0], [75.5237480195228, 3311751.0], [80.5341111230064, 1113203.0], [84.5289499790363, 904070.0], [84.9978676202449, 475483.0], [85.9877142058692, 13691265.0], [88.0577152937335, 40756276.0], [89.0572770956514, 1887066.0], [89.0610580243452, 1120093.0], [89.5393289823848, 733999.0], [90.0369470098526, 22547940.0], [90.0546281186615, 1708505.0], [94.0319706510303, 4266384.0], [96.0933494808596, 4367354.0], [100.003329723351, 12633966.0], [101.028937252588, 1252272.0], [102.018321047491, 1947749.0], [113.023726033145, 15565750.0], [116.044729014453, 1283033.0], [116.052564867506, 568978681.0], [118.049483279673, 21775168.0], [118.055881458895, 2063016.0], [118.059401491989, 277881.0], [120.028311671125, 1667067.0], [132.029600927707, 72202424.0], [132.076033673692, 1072851.0], [132.083789233333, 199563995.0], [133.085424266122, 52777052.0], [134.081030944495, 7990463.0], [143.039590667104, 3994312.0], [159.07085776526, 16908275.0], [160.070533147222, 670731.0], [161.067967200907, 6626488.0], [179.052187349018, 19960617.0], [234.098540246274, 14389094.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "128", "compound_name": "C006", "retention_time": 156.39, "retention_index": 1255.15625, "peaks_json": [[70.7588135394428, 14991229.0], [74.7662475018644, 269297750.0], [75.016693771762, 29126586.0], [75.0358175233067, 9683738.0], [75.0436628332073, 197475092.0], [75.2660151925286, 27199590.0], [78.5223824605991, 12084905.0], [83.0855323069538, 6916753.0], [88.9509687651041, 12259177.0], [97.1012165180785, 4604582.0], [102.073379819497, 837785663.0], [102.966588569368, 33034000.0], [103.076739132831, 42621008.0], [104.982277886207, 21328382.0], [106.961542715112, 16081790.0], [117.018558321006, 43095678.0], [120.977112424336, 38610175.0], [120.986936580287, 28935811.0], [122.966061358401, 18192433.0], [134.016825192648, 17144452.0], [134.992736602514, 117711148.0], [135.992431091763, 12362634.0], [136.97203610622, 45386657.0], [137.008539212761, 22519528.0], [138.98766081822, 15110335.0], [151.033814496838, 272227238.0], [152.023596394154, 24841802.0], [153.003234825472, 90613709.0], [154.002895093264, 8609436.0], [154.982603098801, 33086643.0], [162.969599065729, 26713375.0], [164.949017356284, 27534145.0], [164.958664331128, 23625901.0], [164.985398334148, 25389803.0], [166.937836070126, 19164699.0], [166.974334619108, 28461065.0], [174.112685389085, 517888524.0], [175.11227584893, 254429632.0], [176.109560999585, 158140762.0], [176.985228265269, 26487199.0], [177.021621757925, 9512380.0], [178.964460933321, 34623609.0], [178.974209348109, 14658166.0], [180.943766607239, 7866133.0], [180.953527623547, 142688555.0], [180.980270856347, 15965220.0], [180.990006852001, 11759420.0], [181.952844778769, 14522204.0], [182.96930422492, 51123547.0], [189.02180578818, 99746274.0], [190.021152071509, 15336510.0], [191.000788518724, 437422428.0], [191.018428830595, 9926302.0], [191.037333648262, 7804646.0], [192.000494040896, 68163234.0], [192.006521159849, 1452465.0], [192.980256377332, 286998284.0], [192.989947314694, 21968400.0], [192.997640514717, 45716233.0], [193.016642366897, 92056978.0], [193.979542320976, 42401897.0], [194.016131240973, 14090996.0], [194.969366652325, 11015434.0], [194.977046289398, 27012078.0], [194.995741026565, 28032930.0], [195.005549961273, 41937251.0], [196.975026481271, 20217719.0], [196.984748552794, 19874468.0], [198.96424566449, 72346017.0], [199.963297827263, 5467044.0], [205.053221806375, 82933387.0], [205.107620579478, 111245150.0], [206.052336167493, 10720154.0], [207.032138830925, 426977902.0], [208.031440261093, 57430606.0], [209.011369194115, 302828720.0], [209.029050079901, 50708168.0], [210.010617857715, 35883223.0], [210.991801987911, 128071549.0], [211.000480092161, 743842504.0], [211.00805688742, 26890676.0], [211.027173442447, 12370620.0], [211.990611024149, 18083679.0], [211.999243763015, 65527692.0], [212.004888193957, 7737601.0], [212.987548322924, 12961451.0], [212.997492056665, 46711226.0], [213.003907930306, 6906171.0], [225.052738922709, 1011271502.0], [225.057028375661, 91255219.0], [226.05171265661, 114411575.0], [226.057514686039, 8046737.0], [227.022393265404, 18515063.0], [227.032031600798, 154824168.0], [227.053121853469, 84022808.0], [229.001419391767, 27757772.0], [229.012369236307, 28514573.0], [251.985356435974, 8570399.0], [252.993951473513, 57191251.0], [255.007906060993, 55431372.0], [267.009873325928, 175596459.0], [268.009674826672, 25470696.0], [269.006733543281, 13560432.0], [269.024042851997, 91390111.0], [270.02371331098, 13571218.0], [271.021086849643, 9829234.0], [283.039247376978, 1276736941.0], [284.039500186972, 189359258.0], [285.036092118329, 127250506.0], [286.036455644033, 7350962.0], [295.607327049769, 8665637.0], [297.796218685009, 9363913.0], [298.06385192993, 71565456.0], [299.039524081663, 22991839.0], [299.071009675447, 17982471221.0], [299.091280733541, 94471375.0], [299.105750743283, 19854776.0], [300.071429803414, 3279781647.0], [300.354869573157, 8525114.0], [301.067910960327, 1817775689.0], [302.066664426294, 211425913.0], [302.596538333077, 8124158.0], [303.063261329832, 58372101.0], [313.087644860317, 20393419.0], [314.094743792248, 1024035232.0], [315.094383693371, 179663587.0], [316.09117729535, 96776013.0], [317.091528595518, 10329818.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "35", "compound_name": "C037", "retention_time": 164.57, "retention_index": 1297.760417, "peaks_json": [[88.065648072109, 2909417.0], [100.05774324508, 570828303.0], [104.052663354691, 113057636.0], [115.039365172821, 6912201.0], [132.039935340714, 13068261.0], [150.084318938918, 3273009.0], [151.057218718849, 5621473.0], [174.101827649603, 69576952.0], [174.121707683095, 41793928.0], [174.129399107662, 26043834.0], [175.074182132731, 8755034.0], [176.080082088973, 6953227.0], [176.115263922415, 58860549.0], [177.087385610171, 12117618.0], [177.112969447331, 58005786.0], [178.071552708833, 4329893.0], [184.102504790013, 4927512.0], [188.037593629224, 28574515.0], [188.055489248915, 19926891.0], [190.052504774761, 9071110.0], [240.087098126988, 13755638.0], [246.115844704042, 147165843.0], [247.11526397017, 16371542.0], [248.112516183694, 15630764.0], [248.125810692553, 33707017.0], [248.131422378151, 2161708928.0], [248.146915664032, 18210297.0], [249.13338272019, 294557644.0], [250.129606017071, 227935940.0], [251.106719477652, 21879037.0], [251.128730170043, 22443020.0], [254.045550223759, 639791.0], [276.123899136767, 500776763.0], [277.126049507598, 77562674.0], [278.122767633947, 41927737.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "43", "compound_name": "C021", "retention_time": 174.46, "retention_index": 1347.777778, "peaks_json": [[72.0264091966997, 7472857.0], [88.0577088714458, 75511733.0], [100.021291862912, 145425986.0], [115.074466691225, 16771253.0], [116.052582380058, 482773646.0], [117.053536429165, 30325084.0], [118.049377960975, 14118270.0], [144.047587075185, 25734799.0], [144.065861001757, 21394752.0], [152.106985820201, 1914175.0], [172.097257258321, 132490527.0], [174.039898822532, 56190890.0], [188.092123859557, 2852792256.0], [189.092734875815, 363952910.0], [190.095005392376, 10870144.0], [192.050464793393, 8973928.0], [204.112556460432, 63942318.0], [204.123376447631, 12719839761.0], [204.134676198312, 66737867.0], [204.139941497902, 46318871.0], [205.122632691615, 1150416823.0], [205.126662299229, 458925490.0], [206.120266399826, 887840102.0], [206.126113762009, 75294274.0], [207.124053272438, 77824785.0], [208.117049207678, 12307457.0], [215.145969010933, 4760385.0], [216.088392455766, 405059144.0], [217.086705454619, 37923505.0], [218.06595654972, 27566454.0], [218.090280660191, 42294660.0], [218.102483700947, 814574173.0], [219.101982405783, 183247942.0], [228.110874054133, 11293007.0], [260.131785679153, 11160513.0], [262.110673670276, 31458181.0], [278.141910039176, 689863784.0], [279.14171697765, 106291754.0], [280.138379911323, 68542502.0], [290.105762618935, 8621932.0], [306.136776606337, 161984129.0], [307.137483661718, 26795541.0], [308.134616672218, 10569487.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "52", "compound_name": "C016", "retention_time": 179.44, "retention_index": 1372.929293, "peaks_json": [[72.7865413795848, 11053016.0], [76.0213646333752, 59206242.0], [86.0420870540736, 225533571.0], [87.0624776950782, 21372082.0], [94.031968242506, 5379284.0], [99.0624848569809, 8373743.0], [101.065578958178, 580382063.0], [102.065087486925, 29099700.0], [102.068929955634, 24457328.0], [103.062411030714, 19116993.0], [117.07243604453, 328676795.0], [118.072671501619, 17259686.0], [118.076366276482, 22067336.0], [119.070202511149, 13483430.0], [129.08861813606, 20358954.0], [129.092276040002, 25640101.0], [130.06011952178, 9655585.0], [130.067560646277, 74460539.0], [130.085939269477, 14047444.0], [131.051786739069, 77155784.0], [131.057228836848, 5892782.0], [132.053815168466, 9945148.0], [162.07652189767, 28278876.0], [166.071447902565, 2131407.0], [176.091961706958, 20359637.0], [177.039595821552, 14107543.0], [186.112644914298, 35742801.0], [187.083534505033, 2872457.0], [202.107788980815, 334102807.0], [203.091631632482, 47452203.0], [203.107437976876, 31819921.0], [204.078652652347, 15905573.0], [205.075050681063, 12835558.0], [209.110379746737, 8896653.0], [218.138865175698, 1509022704.0], [218.151727223505, 14813284.0], [219.139434277936, 162304737.0], [220.135999858668, 122208241.0], [221.140005152944, 9266678.0], [222.11182652092, 5070439.0], [224.133938402791, 5579137.0], [231.086793174909, 17467855.0], [232.082126936244, 4650017.0], [232.099725623874, 5669989.0], [291.150168877686, 853154478.0], [292.157980784891, 403452660.0], [294.155602988375, 31675973.0], [295.156542751759, 3658441.0], [322.14914268189, 3261459.0], [323.007108119393, 35075548.0], [401.984380095051, 5308469.0], [443.139940152175, 432200.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "39", "compound_name": "C025", "retention_time": 220.4, "retention_index": 1588.172043, "peaks_json": [[86.0546034160969, 4233859.0], [98.0546561234615, 5879036.0], [98.0600901779517, 9026381.0], [99.0678953395317, 3983913.0], [101.029104891615, 990685.0], [101.995140172271, 1181568.0], [114.073423022262, 62662130.0], [127.03222555692, 4696514.0], [127.081178438345, 10999132.0], [128.040085859381, 724327.0], [130.060045045821, 3511701.0], [143.06934696188, 19506953.0], [153.060394297876, 3832725.0], [154.992258346541, 18574763.0], [156.034779027088, 4913091.0], [157.089745216771, 178506862.0], [158.089661285724, 20609457.0], [181.079057613068, 5811601.0], [182.969290052984, 13920969.0], [209.098070023574, 2202098.0], [211.000467232136, 118673095.0], [211.107760650974, 15493946.0], [211.99957568137, 9779204.0], [212.117038306675, 3905392.0], [212.997496375256, 7444415.0], [227.03220797037, 13974530.0], [229.011784503816, 11805841.0], [237.016166597947, 11812605.0], [239.055356959183, 6727059.0], [240.050700289777, 3245809.0], [240.058987122192, 2666957.0], [253.047743932437, 8591863.0], [257.113532295932, 37477567.0], [258.097829676371, 104316303.0], [283.061035728532, 1483604.0], [329.15312761282, 16717103.0], [341.207275674194, 849848.0], [342.149108121168, 8368804.0], [343.149777233033, 14251513.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "52", "compound_name": "C015", "retention_time": 235.46, "retention_index": 1656.403509, "peaks_json": [[81.5257171655814, 2342972.0], [116.088989702621, 366927024.0], [117.088566719023, 18779495.0], [117.092247982898, 18608741.0], [118.085751190676, 23496966.0], [125.053035248521, 14136115.0], [132.075896410065, 24306761.0], [132.083778515899, 333711935.0], [132.089601787336, 6373323.0], [133.0728587722, 4553810.0], [133.087207459741, 24346673.0], [134.081033973201, 12128052.0], [140.076335084148, 17890106.0], [142.085157136161, 42269261.0], [143.081040162173, 15954185.0], [144.047595179679, 28255023.0], [159.070534507671, 80444141.0], [160.070519411508, 3549888.0], [161.067881506645, 3548441.0], [162.05799001229, 1293169.0], [169.078970408662, 17221701.0], [174.076337630878, 18631839.0], [190.088324913941, 66324581.0], [190.125274394584, 33897102.0], [199.072442726318, 13117215.0], [202.073511069937, 96350788.0], [204.051039571696, 31718126.0], [211.027422474273, 15347040.0], [227.066888327164, 10205330.0], [228.050593694055, 6971599.0], [230.129433815993, 22675313.0], [231.133869389741, 403614327.0], [233.13059513764, 91994730.0], [234.13482856447, 3513995.0], [238.038440194626, 10702414.0], [239.037391060781, 1905808.0], [240.034854912293, 7657400.0], [242.102443600672, 14934741.0], [244.081901779873, 12468537.0], [245.089202126751, 44768875.0], [252.053950481703, 757229.0], [258.120872110843, 149452229.0], [316.121419149075, 38568672.0], [317.12223565963, 7838937.0], [318.119318279455, 4981470.0], [326.086565186981, 916483.0], [326.108780005433, 171435050.0], [326.117824946546, 2488856.0], [327.10935199278, 40422930.0], [333.147777169734, 16086741.0], [422.166173727523, 2682476.0], [423.167519530481, 10948363.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "119", "compound_name": "C007", "retention_time": 255.61, "retention_index": 1743.632479, "peaks_json": [[74.7662269069405, 28659501.0], [75.0165394537007, 5408289.0], [75.2655505326648, 4908677.0], [78.7739813661436, 5229360.0], [85.0760482452284, 4319555.0], [85.2687580277009, 4315013.0], [89.2764898057007, 16566122.0], [89.2782060538666, 3983713.0], [89.5264619681224, 2672321.0], [96.783784673388, 8099779.0], [101.041713200275, 48886049.0], [102.041281120941, 2174203.0], [115.020972177741, 7215871.0], [119.052038377979, 7917522.0], [136.972071099239, 17080140.0], [151.033807130423, 14926420.0], [154.982575945852, 9596911.0], [164.958667018442, 13730826.0], [166.055671420874, 4951709.0], [178.974200966683, 10155080.0], [180.953525448273, 27142382.0], [180.990025741337, 6341291.0], [181.952867865781, 7869793.0], [182.969329530525, 23307021.0], [192.000421566834, 9112943.0], [192.989918180386, 21827190.0], [192.99778111437, 20801165.0], [193.016544790042, 12470944.0], [193.979653193508, 6913030.0], [195.005686443198, 35570417.0], [196.00493437914, 5265356.0], [196.984750877344, 24453721.0], [197.002488746995, 3118590.0], [198.964265232886, 21423295.0], [210.028921411283, 5615519.0], [210.991145612806, 26675189.0], [211.000507408305, 293063162.0], [211.00515948695, 12209486.0], [211.999398375777, 34586347.0], [212.004861571041, 12406371.0], [212.979805239834, 5609871.0], [212.9975042017, 26197580.0], [213.003978112468, 10831067.0], [225.01612303133, 22333511.0], [225.052797955866, 206057626.0], [226.060565492441, 3389954.0], [227.032302406818, 46629127.0], [227.052799888971, 12772356.0], [228.031372303201, 28605623.0], [229.012120567941, 23810729.0], [229.028836269725, 18833607.0], [241.047341352483, 207906852.0], [242.046565131286, 15825096.0], [254.972846682584, 13531396.0], [255.008483887711, 15342672.0], [256.071141377417, 81909414.0], [268.987902111948, 14254738.0], [269.023065645751, 20126306.0], [283.038975322888, 87835245.0], [283.077223603392, 4240542.0], [284.038765682836, 36332439.0], [284.047847560166, 16876475.0], [285.020856469373, 71628001.0], [285.037117625006, 14819510.0], [286.018722030541, 14289135.0], [287.015806645616, 11277972.0], [298.063602401123, 17817095.0], [298.100712112463, 63986131.0], [299.071055799686, 2128008628.0], [299.103103081617, 14588373.0], [300.071132690599, 357671126.0], [300.095600251131, 11128855.0], [301.067944921725, 214638799.0], [302.066308739279, 27960543.0], [303.063902404178, 11641821.0], [313.08710828569, 37410519.0], [314.094913595715, 111538353.0], [315.102720545797, 468877656.0], [316.102908849083, 85560040.0], [317.098942117172, 45726750.0], [318.100567641456, 7513554.0], [327.066907433148, 12653985.0], [328.110559855461, 95255437.0], [329.108582685471, 12644630.0], [330.106930570537, 10213951.0], [341.081343197731, 276960092.0], [341.11888367427, 11101014.0], [342.082160954159, 54098458.0], [342.127028260288, 21039635.0], [343.076683676259, 26248533.0], [343.125939758345, 5494072.0], [344.079681545077, 3228995.0], [355.096548498127, 5639384.0], [357.053452616687, 770518.0], [357.112852227816, 1419826813.0], [358.114507264212, 308133709.0], [359.109392208617, 135315300.0], [360.10918270164, 21795318.0], [361.106769057519, 2647198.0], [370.121305630407, 77253072.0], [372.117239703046, 7842658.0], [373.090157801307, 154307401.0], [374.090145897151, 40529125.0], [375.086930821141, 14879746.0], [376.088465780235, 3201446.0], [387.141801800076, 194716594.0], [388.14272049295, 54288141.0], [389.121794330345, 51552580.0], [389.139716910748, 26455325.0], [390.122870081354, 15811973.0], [390.14085468152, 4743299.0], [391.117665384179, 7388552.0], [415.13661717973, 18122344.0], [416.13820741755, 5229472.0], [417.134378998117, 2097641.0], [445.147054985178, 149695331.0], [446.149250684875, 44505012.0], [447.142729535056, 21358582.0], [448.145457454299, 5816090.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "31", "compound_name": "C042", "retention_time": 271.39, "retention_index": 1813.489583, "peaks_json": [[73.0496913278189, 28814308.0], [77.1200656369992, 2610968.0], [78.0116637721411, 1903654.0], [82.5993944596822, 2937109.0], [105.14829183878, 6300835.0], [120.052745765447, 1591256.0], [121.04598949235, 6258690.0], [124.163519100232, 5753581.0], [127.06855868316, 6761920.0], [135.077108142192, 4645122.0], [137.941234310306, 5497287.0], [142.085584756459, 19497605.0], [157.11542090916, 241699352.0], [170.234042335997, 4071716.0], [181.149572704242, 5692404.0], [182.074490789042, 9160864.0], [187.102405332504, 3278126.0], [187.108071237175, 8927372.0], [196.08992454356, 4156821.0], [197.0977124259, 4237990.0], [197.177720887346, 10094494.0], [210.069579445585, 4771734.0], [225.092168639625, 12436256.0], [240.135122398135, 10899504.0], [256.1657476594, 171285128.0], [257.168967084637, 18606029.0], [258.162446023868, 14108970.0], [278.291413696853, 3978698.0], [286.414411533465, 4701336.0], [287.113120857513, 14834782.0], [373.20242050704, 7382425.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "133", "compound_name": "C004", "retention_time": 281.14, "retention_index": 1864.270833, "peaks_json": [[73.0442774196692, 43427043.0], [76.7877765636581, 36867611.0], [82.0287764397131, 14403247.0], [84.0264189057457, 44227273.0], [87.0261244420359, 8119251.0], [89.0417212260272, 300309561.0], [90.0413382064351, 20241402.0], [90.0453293598109, 10529116.0], [91.0210449471361, 6002447.0], [91.0574195592591, 77536294.0], [92.0570057716064, 6831570.0], [100.021290957126, 40776047.0], [101.041722098231, 38070287.0], [102.037003084157, 14788815.0], [103.057402645866, 742366453.0], [104.056941844155, 50265736.0], [104.060640427731, 32476058.0], [105.036669173611, 4356477.0], [105.054350992755, 36464664.0], [105.072814053772, 42586321.0], [107.052274593264, 21289591.0], [111.02610348604, 12029133.0], [114.036949079325, 17218401.0], [115.044830373125, 17317329.0], [115.057399403328, 16868654.0], [117.036565950721, 250369120.0], [118.036189570718, 18095275.0], [118.040028705771, 25210706.0], [119.015816266648, 5679009.0], [126.036946884123, 11074836.0], [127.057374364192, 14534823.0], [130.036220392438, 62692526.0], [130.039995757391, 64758855.0], [133.067622940029, 155881977.0], [142.068329871816, 165445429.0], [143.070182252456, 18651954.0], [144.083841374779, 11601770.0], [145.06788275214, 20209322.0], [152.05263386683, 20108742.0], [156.047360880423, 9705058.0], [163.060372867003, 65510626.0], [165.057216241631, 11870122.0], [170.063258457184, 16748280.0], [173.068039789864, 43110036.0], [173.086694269178, 201267523.0], [175.060488740021, 36958850.0], [175.083532346585, 41712896.0], [176.061460287086, 15926551.0], [182.063212995492, 28363578.0], [186.09429568096, 23735661.0], [189.076169715928, 825029623.0], [191.072951063098, 51478583.0], [196.078730622868, 11852501.0], [198.094356625603, 30089811.0], [200.055578733836, 21240668.0], [200.110164270208, 18637146.0], [201.099984383691, 170434790.0], [203.055325630312, 10558307.0], [203.091763731358, 33930527.0], [205.053200643873, 18438847.0], [207.086610369153, 29693365.0], [214.962016695882, 11203354.0], [216.317732137529, 7826622.0], [217.071023488157, 72705727.0], [217.095083420724, 54995937.0], [217.121796787879, 50243146.0], [217.166426338473, 9239645.0], [217.900749229103, 7653546.0], [218.106794379465, 334685948.0], [218.111164744607, 345419754.0], [219.10442246025, 200256816.0], [221.084059323829, 134852300.0], [226.113084127754, 47047242.0], [227.116801955308, 8932805.0], [228.086848745893, 11783707.0], [230.066158666165, 13496526.0], [231.086947416196, 49649794.0], [235.119062770912, 13586188.0], [240.08721243609, 29102373.0], [242.102369579214, 23904129.0], [244.118344303396, 97250619.0], [254.102694408539, 15597106.0], [256.118437672343, 78739849.0], [260.113103825249, 47767703.0], [262.130014540454, 200988583.0], [263.138573404215, 53408535.0], [268.118306919701, 28596285.0], [270.097678093505, 12115606.0], [270.134141208722, 19974347.0], [272.113437044862, 28234289.0], [276.144462665628, 27720147.0], [277.147232129808, 769954256.0], [278.146892922202, 115217293.0], [279.143784551238, 56035231.0], [288.126437112534, 54520275.0], [289.128218919886, 16764007.0], [293.122628474483, 14301867.0], [300.144341828753, 33176785.0], [302.123699256429, 10229334.0], [302.142369213994, 57143899.0], [307.157207611693, 1278188117.0], [308.157842265781, 259423411.0], [309.153358236607, 124942652.0], [310.155034853292, 35092151.0], [313.13794281126, 9929507.0], [319.13837209334, 35159018.0], [328.158116067274, 14357421.0], [330.136513260744, 49905906.0], [331.137963917645, 11826973.0], [332.154553184823, 25824792.0], [333.160508063619, 64490793.0], [334.16898677718, 107798098.0], [335.156265735477, 16470528.0], [335.168937214244, 30819530.0], [342.136313045773, 10306765.0], [344.152591810826, 21798292.0], [350.162009338002, 27136149.0], [351.164342942217, 13379794.0], [358.167933699256, 29617511.0], [364.17811863351, 334806610.0], [365.179941921808, 79125623.0], [366.175689249457, 29985899.0], [376.178658020756, 27285941.0], [377.18063775328, 13348755.0], [390.195061114161, 13993459.0], [432.186649360652, 22112168.0], [433.192400997591, 14756847.0], [464.212596374886, 14461181.0], [465.21501265446, 8807847.0], [466.229037894481, 11598169.0], [522.237414197299, 6572270.0], [554.264791787775, 8367305.0], [555.265568698089, 6612134.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "154", "compound_name": "C002", "retention_time": 290.89, "retention_index": 1915.052083, "peaks_json": [[74.0420834639321, 120682786.0], [80.0494750602472, 12339346.0], [82.0107698705264, 8113847.0], [82.0525502295731, 60894902.0], [82.0651194565621, 69447188.0], [83.0311632951016, 17182147.0], [83.0603552165549, 26106020.0], [85.046840423611, 36500190.0], [86.0420827109742, 437807591.0], [87.0453942386005, 61802493.0], [88.0577103462022, 126672522.0], [92.0526600111699, 12421233.0], [94.0651670460976, 18848709.0], [96.0263813762539, 14381972.0], [97.0468986440212, 15794212.0], [98.0421044995257, 61798780.0], [99.06249129056, 8628267.0], [100.003287517863, 26090881.0], [104.052665196453, 62263260.0], [106.068269556965, 10590759.0], [106.894750634963, 10256492.0], [108.892711554142, 11334123.0], [108.910444165148, 11643908.0], [110.042107118335, 36696327.0], [110.908343397409, 13030309.0], [112.057747931751, 202767274.0], [113.023768186909, 24015489.0], [113.060990726567, 11748906.0], [114.073420371446, 118499512.0], [116.034576517123, 25573830.0], [118.013833408793, 16053275.0], [124.057702695463, 27174358.0], [125.053020535183, 10497273.0], [126.073371777015, 116026001.0], [128.089034552709, 1076874098.0], [129.088615400632, 49671667.0], [129.092275725785, 64644162.0], [130.050240665132, 211482345.0], [130.085929598478, 31261544.0], [131.050293706342, 20915133.0], [132.02961924114, 104192915.0], [132.047128086909, 12094980.0], [132.066113699847, 16131826.0], [136.941688061638, 81146638.0], [138.073445775264, 23634965.0], [138.939710087807, 74853849.0], [139.0686036981, 52754759.0], [139.081144509926, 34483099.0], [140.08899268638, 293228811.0], [141.092347928277, 65071812.0], [146.081595655039, 145607206.0], [147.080815648938, 17595931.0], [151.068736822218, 10434254.0], [153.084293111734, 142395683.0], [154.067420851191, 38774968.0], [154.084420613659, 52714657.0], [154.091894366848, 8040303517.0], [154.099503530777, 38324808.0], [154.104655547101, 443159050.0], [155.091615331178, 372481990.0], [155.099727288506, 1310679140.0], [155.10781250826, 49431503.0], [155.112254523726, 44722686.0], [156.105471106688, 166859587.0], [156.120166450827, 7207510907.0], [156.127862778166, 41072907.0], [157.097093417462, 32026839.0], [157.121496619714, 926586633.0], [158.099385920317, 12616679.0], [158.124946605491, 234352340.0], [160.097096389934, 45502811.0], [164.094075508998, 34423231.0], [165.084107046349, 8145865.0], [166.079422233971, 178017216.0], [166.104685302363, 80292109.0], [167.07871269313, 4507534.0], [167.082828184413, 13060281.0], [167.099713290459, 33540976.0], [168.058648244495, 5700201.0], [168.083785856497, 48614668.0], [170.082445253861, 28135897.0], [170.099553031307, 28093003.0], [174.076517369154, 49839977.0], [174.103640753562, 66052643.0], [174.112663155196, 5611399476.0], [175.112170691358, 833424254.0], [176.109466908977, 366520262.0], [176.115493491049, 47516513.0], [184.09719460417, 42599922.0], [186.112626331526, 117291912.0], [187.108107044473, 22347464.0], [194.0743897508, 8637337.0], [198.113011436307, 16774760.0], [200.128530660802, 474547422.0], [201.076108377723, 46006626.0], [201.127096169995, 52130161.0], [202.071563374098, 11705583.0], [202.125165445139, 33637559.0], [208.08987892552, 12797967.0], [211.10767888855, 43890336.0], [212.12878309912, 45875600.0], [213.13636807691, 35030810.0], [214.107807984073, 285748748.0], [215.091931295473, 234180262.0], [215.110674585538, 36705109.0], [216.104580934199, 20836364.0], [223.108076558568, 11023160.0], [225.123655999268, 36876138.0], [226.13153622958, 230503051.0], [227.13043943876, 10085174.0], [228.123249098843, 71535895.0], [228.159905893646, 362434420.0], [229.161937176139, 38367663.0], [230.11510202532, 1523196176.0], [230.139090546109, 293710971.0], [230.156245628046, 45899538.0], [231.116370377997, 120829979.0], [238.119217265137, 947506152.0], [239.121427840401, 63610601.0], [239.139249070531, 39299143.0], [240.099210617648, 7249600.0], [240.115927718166, 52952233.0], [240.123288794265, 76462964.0], [241.118888018358, 41168985.0], [243.170568177597, 125330108.0], [244.154610797799, 67993804.0], [254.129501750287, 22468081.0], [254.15027250779, 3541758949.0], [254.166344878179, 23375802.0], [255.134464422483, 9943127.0], [255.153455142685, 389823786.0], [255.17059633608, 62094050.0], [256.146875761737, 243800132.0], [257.113547269649, 157019561.0], [257.15089582724, 26466261.0], [267.116330800132, 19910509.0], [272.149988875225, 105632286.0], [273.158421055509, 86183840.0], [274.146840544661, 38353426.0], [302.178660705055, 15925694.0], [304.15803854925, 24147305.0], [313.158276970897, 15473630.0], [317.225363435622, 262506151.0], [318.226361789138, 56804918.0], [319.222337550035, 23286345.0], [328.168552290245, 125300682.0], [329.189024733197, 158066255.0], [338.153719073072, 54058937.0], [339.154593618751, 14921199.0], [356.163893265203, 202635184.0], [357.165536021859, 53046367.0], [358.15756032522, 10878972.0], [371.186890075188, 108573235.0], [372.188435718142, 25975848.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "37", "compound_name": "C032", "retention_time": 293.8, "retention_index": 1930.208333, "peaks_json": [[77.0385700377892, 5323543.0], [97.0284464523265, 17181168.0], [101.057276691524, 24373530.0], [101.061050318588, 23362152.0], [102.0545547641, 18000207.0], [107.049178092153, 5259667.0], [117.056256394175, 19331208.0], [119.049208444226, 6556810.0], [135.062499714989, 46031035.0], [144.053477738533, 13635725.0], [161.041476402708, 11508318.0], [169.079018375922, 18215238.0], [175.055505897625, 9113762.0], [176.052466278487, 24452258.0], [179.052334497828, 3213462.0], [180.090606856118, 23492333.0], [184.087743496986, 9633402.0], [193.067673166181, 17520968.0], [218.07617589558, 9295248.0], [218.090165214098, 45345145.0], [221.102841025724, 24047780.0], [248.091817520042, 9584686.0], [250.071128737698, 39717545.0], [264.123968255395, 30111084.0], [265.103712182846, 7436142.0], [265.107288629308, 75402743.0], [266.111080001919, 24900167.0], [267.086687778924, 32556612.0], [268.129715772248, 30785623.0], [282.159255908762, 17786888.0], [283.154778825553, 21397685.0], [296.160515979017, 12792658.0], [305.105780505281, 19382666.0], [321.153363611387, 47305902.0], [329.141929921441, 15317245.0], [332.158873244121, 13684549.0], [421.207975743072, 24226802.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "33", "compound_name": "C039", "retention_time": 294.04, "retention_index": 1931.458333, "peaks_json": [[70.0371775180723, 9802034.0], [79.0542666937278, 8688980.0], [89.0386794726954, 11620255.0], [91.0542504618771, 30947093.0], [100.057744254947, 496769873.0], [115.054168772455, 6832970.0], [118.065786334856, 15147158.0], [130.031878160532, 72453339.0], [147.02636157237, 5271163.0], [151.05716747583, 7189660.0], [159.094722405838, 132067111.0], [163.096954971874, 92944620.0], [165.073061690929, 21387568.0], [171.047209275619, 17771318.0], [183.083656577519, 22405730.0], [195.094697043323, 12237813.0], [218.102502561969, 5983687580.0], [280.154644213041, 824926354.0], [281.157982765931, 132165993.0], [282.15088194224, 50345725.0], [283.117879745799, 11305583.0], [292.116310171817, 28849929.0], [314.123625565021, 14770799.0], [319.157013077887, 520878103.0], [331.157793066718, 48572665.0], [333.136698745019, 225287147.0], [334.137621195451, 65125521.0], [335.132556913122, 37587085.0], [354.1735334822, 259207371.0], [355.175653733993, 74511530.0], [366.136938125334, 8687761.0], [382.167954545109, 54003502.0], [383.170213072623, 13715188.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "37", "compound_name": "C033", "retention_time": 308.58, "retention_index": 2007.666667, "peaks_json": [[73.531605989471, 771447.0], [88.2802088536002, 2354610.0], [88.2818766644288, 646520.0], [92.0363412263476, 2328206.0], [221.067303451741, 3755641.0], [222.051669040714, 10524048.0], [237.061565171865, 687333.0], [238.083098637492, 8557483.0], [240.062245509132, 10178596.0], [256.093861318806, 17484094.0], [265.057118076144, 9145518.0], [266.058334909219, 1732081.0], [269.101188102132, 9654992.0], [278.101525992935, 22792825.0], [279.072861058162, 5897290.0], [279.108770697625, 36753278.0], [280.081173889904, 6128749.0], [280.107485275548, 8521895.0], [281.087787944372, 4837816.0], [281.105519178582, 9807942.0], [282.091190977393, 3649387.0], [283.084961315329, 15684056.0], [294.132890613133, 55588073.0], [295.103547633807, 43574953.0], [311.081455573088, 1326825.0], [337.096419323323, 6588349.0], [338.09676853852, 13272175.0], [339.09323718716, 999466.0], [353.127560017149, 144550661.0], [354.128795201405, 49424632.0], [355.122537504109, 47330949.0], [370.149102508131, 10849913.0], [371.138589402205, 14600447.0], [372.141582293114, 4502669.0], [411.142649067185, 2314906.0], [412.144697958491, 466093.0], [480.136478938358, 1216442.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "135", "compound_name": "C003", "retention_time": 319.68, "retention_index": 2069.333333, "peaks_json": [[79.7880892478518, 18841042.0], [81.0447736395215, 11849310.0], [82.0287915205732, 8641431.0], [83.049137600019, 33038328.0], [84.0525192390775, 7478871.0], [87.0553285125512, 74200004.0], [89.0417142929142, 74233823.0], [90.0370022508945, 13992895.0], [91.0210436941179, 2390862.0], [93.044785299243, 7452819.0], [94.0525975127288, 10453244.0], [96.0444253536972, 10903036.0], [99.0553397906279, 10231908.0], [105.044808242391, 6408829.0], [107.052294660788, 6242866.0], [109.039650121962, 5568695.0], [110.047462837666, 5061668.0], [111.055323802391, 5873056.0], [112.039298026444, 3965753.0], [112.063146344341, 6515958.0], [113.052882942859, 8276419.0], [113.070935069309, 6091506.0], [116.06489332999, 7651769.0], [117.052272989142, 3424764.0], [119.060398059581, 5015688.0], [123.055298722957, 6914458.0], [126.036934304886, 7725659.0], [127.068555548084, 6308443.0], [129.036692025662, 122379411.0], [129.065799497037, 22459026.0], [129.072869578599, 357742590.0], [129.084157333304, 8540678.0], [130.068355771428, 19512498.0], [130.072660895986, 17001807.0], [130.076400507348, 21643851.0], [131.076042114677, 42394426.0], [132.075235945687, 15098771.0], [132.083789835617, 26794170.0], [137.070988883611, 9859706.0], [138.05493224095, 3165654.0], [139.051175003371, 7069320.0], [141.047778003792, 23946731.0], [141.065923570004, 9330027.0], [142.055705069575, 6974963.0], [144.08382621206, 24138104.0], [152.052612709208, 12445682.0], [153.047862201653, 13551007.0], [153.06050104986, 5683251.0], [154.031798596314, 9702495.0], [154.068135836281, 22462918.0], [155.063488378907, 17345256.0], [157.067778706704, 305000842.0], [157.079041955576, 23421863.0], [158.063049350607, 79873894.0], [158.071192154163, 24230537.0], [158.087223744981, 44233946.0], [159.066220496597, 14412715.0], [159.094678886574, 63040570.0], [167.063455325892, 21288707.0], [169.079013983553, 42107910.0], [170.063237400093, 16300891.0], [175.083575347646, 36260729.0], [178.068296395536, 5176174.0], [179.081486447783, 7029930.0], [180.047488487863, 6887272.0], [181.079036591706, 29074392.0], [182.087014052977, 13760713.0], [182.099591005081, 6217729.0], [184.078890320729, 22831122.0], [185.110259256924, 10498695.0], [186.094277657113, 33629523.0], [191.072955515118, 17861044.0], [194.099507858777, 7280353.0], [195.09471415495, 25188698.0], [196.078795602271, 6238390.0], [196.102396694031, 10925562.0], [199.08955397795, 9152031.0], [201.105247648349, 119861528.0], [201.112359610286, 31839556.0], [205.107609165375, 288674074.0], [206.107497510189, 35502636.0], [207.09499264929, 14009572.0], [207.103984365352, 24028098.0], [209.11035836202, 11298196.0], [210.094325451895, 13575347.0], [211.089848595549, 23856594.0], [212.097009756898, 13775311.0], [213.105228486782, 73929890.0], [219.09527736534, 8505195.0], [221.074300407885, 14508487.0], [225.105533091326, 19016199.0], [233.102475979575, 15389167.0], [242.10246806473, 19687380.0], [242.126657609235, 11066324.0], [243.134206462776, 50646552.0], [244.119452816047, 30022076.0], [245.114820894281, 11088338.0], [254.102870594529, 5350655.0], [255.134441237269, 46732255.0], [269.113908264442, 46534893.0], [270.134437529958, 7090136.0], [271.128972048701, 37425633.0], [273.144669229945, 9722721.0], [274.128730992046, 139451474.0], [275.131908166958, 15282348.0], [284.113416878425, 8739042.0], [284.137011207473, 19427028.0], [301.139887685895, 13069124.0], [303.156554156078, 27321286.0], [309.144715592211, 11863564.0], [315.155169787866, 65230453.0], [319.157101342607, 733557628.0], [320.158352325734, 176280305.0], [321.153241677135, 74811478.0], [322.157191869663, 33601762.0], [327.155355207603, 17725445.0], [333.166397555812, 53890077.0], [334.168322787397, 15415305.0], [360.184205186806, 23337977.0], [374.163526061853, 21552675.0], [399.195205285978, 19867111.0], [401.174241468972, 35504809.0], [417.205717817748, 23250105.0], [417.241711757457, 19573381.0], [418.207654920137, 17403027.0], [418.243205616146, 12152742.0], [475.229231161579, 2756806.0], [489.245871828029, 38098072.0], [490.247019499098, 8845886.0], [491.244269926889, 10775524.0], [523.250368109965, 33514393.0], [579.297280589764, 6860747.0], [595.292757936577, 18386300.0], [596.292128391308, 11382024.0], [597.290217290809, 5672650.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "33", "compound_name": "C040", "retention_time": 321.31, "retention_index": 2078.388889, "peaks_json": [[86.0600682921472, 9381159.0], [95.0603938490297, 15521059.0], [97.0397339680025, 24014067.0], [101.041727191915, 11405177.0], [109.076031398849, 6450381.0], [110.060064337551, 4270169.0], [114.054970932673, 26844038.0], [116.052581648017, 64632103.0], [127.057390248286, 25205024.0], [143.063465628786, 15227989.0], [153.066212511408, 20308902.0], [155.052193908908, 11192129.0], [171.094683162695, 145870739.0], [173.086678279934, 138408757.0], [179.063456376317, 25151325.0], [185.07395505389, 10245677.0], [189.105132424236, 17876612.0], [194.089437340891, 11945652.0], [204.1102479839, 32749740.0], [207.032182874338, 216347643.0], [212.073668395226, 6004502.0], [223.088883694464, 20724810.0], [227.121667702625, 16834252.0], [235.100064731668, 15241152.0], [243.114688975684, 96867894.0], [255.11588382923, 27970144.0], [259.141882711861, 14063033.0], [260.113279665034, 10908440.0], [285.144932643761, 43021732.0], [286.128932061527, 13523103.0], [286.148425364417, 16693436.0], [313.139639980503, 6608351.0], [375.195189950703, 13408933.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "31", "compound_name": "C043", "retention_time": 322.55, "retention_index": 2085.277778, "peaks_json": [[156.059933874872, 8912861.0], [177.039648677453, 4799821.0], [181.115563600531, 7195900.0], [193.09487906926, 15763835.0], [200.09747430305, 23843031.0], [231.116037759149, 39959069.0], [271.118058631062, 26038024.0], [280.166266545075, 7691084.0], [289.110428902479, 16656379.0], [320.145969537816, 211414148.0], [322.141612926358, 22208031.0], [331.157608063169, 11160482.0], [353.091465715207, 23781118.0], [366.135657911069, 13102339.0], [367.143453851581, 69977117.0], [379.161056373234, 27830735.0], [382.168034222366, 63631531.0], [383.168988095274, 19107154.0], [384.162965662993, 9508332.0], [394.178333716989, 15610593.0], [419.192353431449, 38878069.0], [420.193524293788, 20283156.0], [442.162856005418, 77198856.0], [443.158896747995, 35519451.0], [455.178042324859, 9719421.0], [456.186266752889, 95734993.0], [457.187818940189, 37674463.0], [458.182648048279, 18615642.0], [507.225806261072, 36709055.0], [508.226752580767, 23206243.0], [509.224447477455, 20751399.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "14", "compound_name": "C106", "retention_time": 327.31, "retention_index": 2113.024691, "peaks_json": [[107.060453875425, 16786624.0], [108.031759954569, 1145857.0], [126.078753273933, 6569465.0], [140.106992964576, 9610555.0], [223.16234404227, 2833124.0], [315.179147857279, 10357531.0], [342.191499357712, 22669547.0], [343.195452147673, 11955585.0], [352.14363537673, 164050830.0], [353.195131688136, 9878669.0], [412.227603861564, 2097760.0], [431.14909170791, 2788721.0], [431.256719028879, 8035505.0], [471.251586123075, 1314345.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "28", "compound_name": "C048", "retention_time": 332.6, "retention_index": 2145.679012, "peaks_json": [[72.5340064435056, 602653.0], [81.5458075142691, 748715.0], [132.549815754799, 692988.0], [170.086332975955, 14785949.0], [209.146835381513, 5815023.0], [249.09266209649, 6128782.0], [265.10006445182, 42029006.0], [280.122070170931, 10233102.0], [298.129092428406, 4634830.0], [312.192410839247, 3728981.0], [326.189386870785, 60628380.0], [365.164412462921, 15415134.0], [380.187494204804, 6008176.0], [381.19028863997, 4661698.0], [389.247712861929, 1064591.0], [389.265859120232, 2982934.0], [390.266611167546, 1275499.0], [401.210234296709, 11323028.0], [402.208423769061, 9147276.0], [407.175441272852, 9382473.0], [428.20358106623, 17386556.0], [429.204289307621, 8328453.0], [430.199491300068, 7298945.0], [463.284669340964, 6008338.0], [477.244130747149, 11018691.0], [478.247323567868, 8304980.0], [479.242460163612, 13437070.0], [568.243094623967, 1152688.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "37", "compound_name": "C031", "retention_time": 343.13, "retention_index": 2209.611111, "peaks_json": [[72.7865025490946, 3119452.0], [84.0570125020815, 10351640.0], [96.0569661170095, 2101245.0], [96.0933491830713, 8713172.0], [115.05421543577, 2196595.0], [129.056845534746, 17608689.0], [130.066123207302, 20961857.0], [143.031168061935, 1238230.0], [156.02646872089, 2359707.0], [170.041790350486, 9668481.0], [182.042138540521, 1578868.0], [187.081147591519, 10230195.0], [190.104681372046, 18745425.0], [191.10831419311, 24334094.0], [198.071978866131, 4511635.0], [199.081355814471, 1538475.0], [200.085103935158, 378722.0], [200.089020900464, 36174698.0], [202.09361267595, 12120104.0], [202.104399178954, 1496153674.0], [202.123405237656, 6884529.0], [203.108034494641, 185788584.0], [204.112019482859, 10298841.0], [228.031146874981, 17202036.0], [291.150224848427, 252295104.0], [292.14944436683, 42884849.0], [303.171143784156, 22701791.0], [315.135057127894, 26685169.0], [339.271102342351, 5201728.0], [340.274555519105, 1187572.0], [357.281508371165, 1404552.0], [378.173284553302, 10451091.0], [378.191794242698, 7062388.0], [386.21095819071, 8210209.0], [405.185483504135, 9722900.0], [408.094303631496, 1224219.0], [415.227090004689, 8222201.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "43", "compound_name": "C023", "retention_time": 350.31, "retention_index": 2249.5, "peaks_json": [[77.7885574396821, 1590119.0], [124.075788278623, 5681187.0], [125.083506885518, 5177663.0], [144.047612810238, 5133252.0], [166.073706194287, 3707793.0], [181.079090288901, 19322318.0], [195.094738008829, 17210348.0], [197.110298763064, 33071661.0], [198.113793195862, 4728406.0], [209.074856013102, 30425501.0], [222.081884374246, 20934434.0], [222.105547760039, 34080322.0], [225.105381556765, 43875541.0], [226.10999825976, 5271837.0], [236.085093344827, 5629641.0], [250.100377911659, 17847527.0], [252.027456629912, 1280764.0], [268.058077173001, 804408.0], [284.089633213583, 23032355.0], [294.104467454403, 17022037.0], [296.089123702051, 15944328.0], [308.089752425178, 1381989.0], [311.160339268322, 110100448.0], [312.162791273021, 14416832.0], [322.104907894833, 3119179.0], [324.066773859332, 589405.0], [336.155480659395, 24224181.0], [337.163122984553, 16293373.0], [340.097839296447, 2734342.0], [340.149205503343, 18352504.0], [341.152768689947, 10213101.0], [356.129478542785, 45440125.0], [368.092935453573, 2180163.0], [371.129225115983, 18114648.0], [372.129927984702, 7143897.0], [386.103116306562, 1141137.0], [426.135464427951, 3630137.0], [458.143591165157, 3108388.0], [459.144017929584, 899107.0], [502.204686596231, 8626039.0], [504.203250053874, 3671689.0], [604.221538169222, 1054387.0], [605.223365106083, 750123.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "52", "compound_name": "C017", "retention_time": 363.28, "retention_index": 2321.555556, "peaks_json": [[71.5249297468395, 246824.0], [72.0444156740603, 1726774.0], [96.0444072131039, 11266100.0], [112.039308708706, 6790422.0], [113.047087267754, 595753.0], [138.054901673707, 1710118.0], [152.034126557822, 21633027.0], [156.023701807881, 1967786.0], [160.039220578349, 32923367.0], [164.034044369769, 499581.0], [166.050528490317, 6718530.0], [168.059981182251, 4640395.0], [178.04953633373, 8240390.0], [186.094306390545, 25321594.0], [187.097681648484, 6160124.0], [199.065318185637, 8233103.0], [200.04959610159, 6582750.0], [207.047215024998, 11624832.0], [209.062482948667, 4620342.0], [228.104835108508, 12976891.0], [234.058024007269, 4152098.0], [235.041774349505, 9911154.0], [236.073540813578, 3485184.0], [238.053507699979, 3142392.0], [242.114336943818, 20725836.0], [251.073039314037, 4069211.0], [252.068681412175, 4503979.0], [262.106485915524, 7277480.0], [263.108393668682, 3276005.0], [270.073861516055, 5128172.0], [283.082109287145, 12423548.0], [286.104988585487, 39154375.0], [287.107464137544, 10058759.0], [294.079077738347, 832223.0], [302.111577044952, 2758207.0], [324.10782685991, 1874408.0], [325.091831782177, 2035733.0], [333.122988617868, 4182643.0], [339.155423098214, 20744911.0], [349.103055195824, 238665.0], [366.118429355055, 3199120.0], [374.14466736748, 4720531.0], [384.128590697433, 3181947.0], [397.131397320935, 5250056.0], [411.169866084604, 1673162.0], [462.216349668248, 6932026.0], [474.17880037619, 2245645.0], [475.181385923857, 2942038.0], [481.194310772398, 481103.0], [564.229867412985, 1096065.0], [565.232671046918, 455344.0], [566.230541338632, 549961.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "36", "compound_name": "C035", "retention_time": 419.04, "retention_index": 2687.619048, "peaks_json": [[95.0603974165688, 32407725.0], [96.0682831727683, 18886041.0], [109.076038591831, 7982766.0], [188.128421865281, 16057927.0], [195.094898298977, 19148777.0], [199.126238521047, 6978513.0], [204.099626323395, 456431665.0], [205.098899425485, 31710600.0], [207.131269678805, 1766648.0], [208.102696883827, 8646753.0], [209.110448313553, 15791517.0], [219.094951156149, 7933252.0], [222.118247897013, 9312287.0], [224.121505558916, 9523093.0], [227.127097239983, 9458739.0], [233.110208428279, 8712578.0], [235.126196735619, 11049396.0], [243.122924475103, 38841337.0], [245.066317789903, 31579845.0], [262.137112258936, 6121680.0], [271.118026464116, 33196335.0], [323.184126924107, 11429234.0], [331.157780054126, 26531872.0], [361.168017007879, 75479202.0], [362.169988150521, 20893295.0], [363.164412931753, 17536320.0], [404.173578579216, 14430179.0], [448.200200932766, 16691765.0], [449.202614049514, 12609750.0], [526.301181556855, 5373746.0], [528.299310062466, 5674753.0], [606.30762070488, 4480742.0], [607.310524726956, 5466162.0], [621.33034309982, 10593067.0], [622.333291642746, 5309767.0], [623.329947150646, 3299604.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "28", "compound_name": "C047", "retention_time": 422.18, "retention_index": 2713.859649, "peaks_json": [[84.0808191171686, 103468958.0], [88.0577475337021, 8848518.0], [98.0964571576452, 16061374.0], [99.0998078996579, 2174349.0], [100.00327941202, 7260138.0], [112.112091323483, 16111434.0], [118.104687668833, 2169177.0], [139.068634728094, 7008898.0], [155.107952200175, 30701320.0], [155.112350628434, 8291470.0], [183.13107483676, 16644478.0], [185.146721109425, 3122275.0], [197.146708574463, 2805993.0], [203.139197668849, 3424101.0], [215.140027552841, 9165781.0], [229.155358701312, 22347634.0], [244.178463814469, 1523884.0], [257.186632571696, 16541112.0], [258.189911048901, 4297129.0], [271.201952016643, 4903824.0], [273.217586753219, 5116647.0], [301.194683298178, 5009860.0], [372.267671753689, 7130700.0], [373.175782428382, 9590811.0], [374.181671825121, 13597700.0], [388.299098027846, 1856218.0], [547.389445054236, 2088026.0], [548.391059375424, 1164631.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "40", "compound_name": "C024", "retention_time": 424.04, "retention_index": 2730.175439, "peaks_json": [[82.0651263569676, 25308880.0], [92.9923118680449, 16012167.0], [94.0651723611115, 18262450.0], [106.894778739843, 8499083.0], [108.892755028855, 10025072.0], [108.910464238813, 10018665.0], [110.042100519649, 5719833.0], [110.908368345928, 10546721.0], [113.065488251705, 3653171.0], [146.117107655767, 32728599.0], [154.068046860701, 10256673.0], [167.099734800349, 27569474.0], [174.10381124341, 10875667.0], [174.112715553449, 1374226795.0], [175.112210626881, 186301499.0], [176.109484907921, 77341701.0], [176.115627055979, 11947090.0], [183.14363558598, 3122862.0], [198.113272140702, 5672910.0], [202.14398863116, 5224970.0], [211.162373182354, 3984101.0], [226.113237521737, 8140673.0], [237.141986562463, 8791332.0], [239.157252324119, 6947219.0], [256.118482093067, 12826496.0], [269.1682924135, 14348202.0], [288.144510500905, 47092313.0], [289.147739066377, 14621715.0], [383.181393903392, 36640225.0], [384.184939233516, 13794476.0], [415.190604017868, 5365814.0], [416.191186535682, 4499496.0], [440.221484659875, 8682110.0], [444.228496623713, 32384256.0], [445.230540241054, 13763485.0], [482.218855944403, 8976329.0], [530.271895174229, 23060424.0], [531.272877641484, 12909294.0], [532.269866294195, 6721522.0], [545.295284438011, 6399860.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "43", "compound_name": "C022", "retention_time": 424.58, "retention_index": 2734.912281, "peaks_json": [[81.0573376366625, 3562488.0], [94.9892845847694, 3674630.0], [104.052672604488, 21418307.0], [110.096434596163, 9969661.0], [114.073428499901, 155475232.0], [116.089026787899, 1574885266.0], [117.088575456065, 70784735.0], [118.085795569372, 34843255.0], [129.096900718872, 103842083.0], [130.096424956022, 3537439.0], [130.104732313687, 128212693.0], [131.104195171215, 4285997.0], [131.108106912226, 5547407.0], [141.096739267978, 4815919.0], [142.104767574255, 509329028.0], [143.108017488306, 39968261.0], [144.120327874097, 2393485501.0], [145.12173923044, 77539295.0], [146.123009722424, 16238684.0], [152.088973772447, 5357544.0], [154.104708801686, 63215785.0], [156.120247878266, 418910163.0], [160.097244503421, 583186312.0], [161.096687688088, 73127265.0], [162.094031165753, 41078258.0], [170.08258812398, 13533638.0], [172.0972937679, 688687598.0], [172.132676016457, 3677741.0], [173.097351471245, 93145255.0], [182.13592579777, 10898812.0], [186.112685146004, 83531516.0], [201.136154093747, 101891375.0], [202.135625702837, 7645841.0], [203.133082621727, 6458697.0], [269.186400344032, 4397744.0], [287.179115764836, 8122367.0], [299.233271021225, 12118602.0], [303.209981393679, 17356689.0], [329.225591576827, 39029170.0], [330.227101851677, 22295674.0], [331.221579609236, 22559073.0], [346.258691633891, 7261684.0], [347.253540501442, 2643142.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "37", "compound_name": "C030", "retention_time": 429.44, "retention_index": 2777.54386, "peaks_json": [[78.7740531759659, 645618.0], [79.5357286288103, 801248.0], [81.0335514238126, 13297955.0], [115.292633558058, 424452.0], [225.016197747059, 652487.0], [230.078810032037, 4830561.0], [255.086554559247, 10405199.0], [315.102721812664, 44899033.0], [316.102389737487, 8795064.0], [317.081716363089, 7692971.0], [317.141985119681, 6662863.0], [318.082488852615, 717401.0], [319.078790440608, 1439712.0], [342.149036618437, 10085625.0], [343.15728471608, 11595391.0], [345.13655980155, 8350972.0], [371.129441802782, 9740712.0], [372.129827086617, 2220080.0], [385.108311678976, 1210089.0], [386.134294504807, 3000813.0], [391.117143776424, 1641688.0], [422.115869133579, 1065019.0], [423.123156299875, 1273668.0], [430.15356607848, 5088240.0], [445.147122221048, 24141183.0], [446.149390657122, 10155114.0], [447.142657769277, 8046928.0], [448.145703168269, 630739.0], [457.148443398341, 594920.0], [461.169944823223, 2623695.0], [461.178812403343, 52320696.0], [462.180517288488, 18531358.0], [463.176454840769, 7765411.0], [464.17694772706, 3514790.0], [533.219885049753, 5925076.0], [537.196467484454, 1477548.0], [616.232702617502, 612011.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "33", "compound_name": "C038", "retention_time": 442.98, "retention_index": 2907.222222, "peaks_json": [[99.0804884227928, 3200739.0], [106.065225480003, 8906112.0], [117.07012981231, 22591795.0], [118.065215169466, 8817869.0], [128.062047037701, 6952364.0], [143.088680889014, 22230277.0], [148.075647089784, 7462412.0], [167.088723643923, 7473684.0], [169.104319112695, 10907533.0], [170.108122394932, 1128824.0], [185.095395837561, 3577942.0], [185.132380916644, 3362634.0], [193.104078598795, 4431494.0], [211.111807798743, 8977996.0], [211.148156111988, 6752012.0], [212.110165228441, 6784988.0], [226.089535059062, 15185348.0], [233.102515965042, 7940032.0], [255.122979031483, 7906659.0], [261.167212087518, 1694859.0], [273.167378839384, 3167347.0], [292.172909927809, 2141806.0], [351.217488143476, 2845076.0], [392.214532169021, 2391046.0], [393.227141019897, 5900852.0], [460.283095533751, 1163129.0], [481.262106443751, 6423818.0], [482.264034187953, 2330060.0], [484.280021734427, 3011739.0], [552.348366341111, 2284701.0], [566.351974463013, 2747288.0], [567.27727231121, 4861778.0], [568.279454709462, 3420002.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "38", "compound_name": "C026", "retention_time": 466.68, "retention_index": 3130.526316, "peaks_json": [[136.039304645197, 22701241.0], [139.038996520846, 745717.0], [159.047273175015, 8890554.0], [162.054978603596, 570773.0], [167.033840626288, 6408534.0], [187.078483525238, 4990846.0], [192.066380296325, 8265523.0], [196.060509740673, 12112124.0], [208.060638207996, 5353250.0], [227.073605801185, 7713301.0], [234.074893224332, 14841417.0], [235.07936789149, 937541.0], [259.141764658932, 22735857.0], [270.115652387086, 17104463.0], [298.110609077946, 33064195.0], [299.113567689431, 8775380.0], [300.144316983652, 34040196.0], [310.11043214709, 4131584.0], [324.12633578117, 15927030.0], [358.149702869035, 13042085.0], [376.161028159043, 7153436.0], [414.176139400716, 9074555.0], [415.178595464901, 6276356.0], [443.184966351151, 1475104.0], [478.210856498545, 18468268.0], [502.419688454427, 603309.0], [504.209456792547, 329424.0], [504.22591790075, 14337099.0], [505.229611771036, 9594940.0], [506.224401680961, 4137829.0], [552.266802257116, 6209498.0], [578.247193943156, 1696639.0], [579.248662341027, 926190.0], [594.27700383899, 4948544.0], [595.281245956406, 5439786.0], [608.312095522762, 2270125.0], [627.308707841513, 2019744.0], [684.329277730748, 2352283.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "131", "compound_name": "C005", "retention_time": 470.86, "retention_index": 3167.192982, "peaks_json": [[71.0855421479009, 5231278.0], [77.0385664511503, 17152253.0], [82.0732634362063, 9054909.0], [82.3283746811685, 1196631.0], [88.3283941477269, 1028014.0], [91.0542569755102, 85402696.0], [92.057636778598, 7355697.0], [92.08419302531, 1132732.0], [94.0733070011291, 3889576.0], [108.08883876221, 4337453.0], [108.09331080561, 5382482.0], [110.104557499963, 3684338.0], [120.088927025685, 5840462.0], [120.093363991862, 18136057.0], [121.09700673659, 1481503.0], [122.104467455438, 6342814.0], [122.109007817844, 5501422.0], [129.072703863173, 165347599.0], [130.072766970682, 8011610.0], [130.076487415793, 7214640.0], [132.093332978219, 9521817.0], [134.104632630405, 4460893.0], [136.120209954776, 3822389.0], [136.124634436885, 1961464.0], [137.132483969006, 11512690.0], [138.135748313291, 1167964.0], [146.104336778046, 9451302.0], [146.10895874309, 9625734.0], [148.124535089325, 8543753.0], [149.13252530075, 23335319.0], [150.135578678231, 3366619.0], [151.147979664568, 6653472.0], [157.10102000482, 20469233.0], [159.116757656893, 51375551.0], [160.124577046282, 25802247.0], [161.132408952607, 30671465.0], [162.135832350855, 5512666.0], [162.140260203304, 5791727.0], [163.147965907767, 29954453.0], [164.151233259397, 5771386.0], [165.163369242261, 5318399.0], [169.104410526453, 8062623.0], [171.116827012348, 18246416.0], [173.132450599756, 25484464.0], [174.138185081777, 9689089.0], [175.148155219678, 15800437.0], [176.15153622842, 2909924.0], [177.163609702921, 14021529.0], [178.166602029859, 2005736.0], [179.178718089774, 4578526.0], [185.13242973467, 14730920.0], [186.140223452716, 2426501.0], [187.147936033357, 12024278.0], [188.152967971112, 2450425.0], [189.163587703438, 14828774.0], [190.166699474079, 2753204.0], [191.179353688003, 9287015.0], [192.182618296882, 1468952.0], [193.195126791908, 6291696.0], [199.148125910147, 17515810.0], [200.155899410209, 5929850.0], [201.163606372509, 16373494.0], [202.166963586276, 2963997.0], [203.179597701892, 25899263.0], [204.18285719336, 4724938.0], [205.195196169602, 8800208.0], [206.202938133338, 4573220.0], [207.209932530154, 4634568.0], [213.163606081894, 27771946.0], [214.166941808588, 7248493.0], [214.172003388011, 2560619.0], [215.179278703734, 15579899.0], [216.182607084588, 2806267.0], [217.19503711512, 22623441.0], [218.197999976334, 4283364.0], [219.210613084576, 17835045.0], [220.213542545681, 3107974.0], [221.22585465571, 1112010.0], [227.179184150695, 10266249.0], [229.195092245233, 8479599.0], [230.198520405678, 1512297.0], [231.209855103064, 6631668.0], [232.213536523501, 1154923.0], [233.225592367444, 20781341.0], [234.229302168729, 3671518.0], [241.195034760735, 7453795.0], [245.226162187032, 10987311.0], [246.233759914797, 3928238.0], [247.241903470725, 34088599.0], [248.245559155714, 7136408.0], [255.210974513013, 52501395.0], [256.213852907184, 11854021.0], [259.242308351489, 14234632.0], [260.250198864262, 3651020.0], [261.258138270148, 1401051.0], [269.22650899089, 1870329.0], [273.257550597912, 10507133.0], [274.265991951803, 2894052.0], [275.273489793873, 9588486.0], [276.276406531617, 1902902.0], [285.257454346804, 1168905.0], [287.273437026002, 1780360.0], [290.205978284428, 3403602.0], [291.214287296408, 3280585.0], [299.273490922892, 3083859.0], [301.288738927544, 12588147.0], [302.291964727734, 2839173.0], [313.288908703295, 4682652.0], [325.288562601968, 3791998.0], [326.296976016767, 10070070.0], [328.312060049446, 31304469.0], [329.320206601031, 103557452.0], [330.323340895114, 33413403.0], [331.326525286967, 4234508.0], [339.3045672974, 13077766.0], [340.312371786765, 8034300.0], [341.315200175342, 2483611.0], [342.327498389436, 2394411.0], [346.263737151805, 1026815.0], [354.32383876836, 21123999.0], [367.335904659768, 5021631.0], [368.34317293615, 92837071.0], [369.347017588821, 32248471.0], [370.350561179242, 4967588.0], [425.359787963844, 1281367.0], [429.354633109529, 1368500.0], [443.370317749092, 18463087.0], [444.37413582235, 6464131.0], [458.394395914106, 33036024.0], [459.396960465854, 12742119.0], [460.400687283673, 1861667.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "36", "compound_name": "C034", "retention_time": 472.04, "retention_index": 3177.54386, "peaks_json": [[79.054276509157, 50410573.0], [79.9256271001622, 36323371.0], [81.0699028490817, 65792852.0], [81.9236143390691, 35303738.0], [83.0855197742773, 18108705.0], [93.0699125441727, 55534987.0], [94.0777641868923, 7428152.0], [95.0491703642809, 3995554.0], [95.0855228641286, 86321279.0], [97.1012304653706, 14710484.0], [105.069966409147, 82496797.0], [106.073243719929, 8197837.0], [106.077731236607, 8811881.0], [109.101180470828, 48620387.0], [111.116884954921, 13068754.0], [115.054173067603, 18587691.0], [117.069989480068, 42990806.0], [118.077691617587, 9087869.0], [119.085572568403, 74987843.0], [123.11679448774, 26328027.0], [128.061976196738, 11577519.0], [131.085646471898, 48783281.0], [133.1012370695, 52201958.0], [135.116884989063, 43702141.0], [143.085500237204, 39176611.0], [145.101085467268, 86974867.0], [147.116848701127, 45103339.0], [154.078965344867, 10956674.0], [158.107366995179, 10730788.0], [166.072565291926, 4763479.0], [181.103947567113, 6771507.0], [257.226481917835, 3067305.0], [271.24217886118, 1666197.0], [327.30434938533, 8322688.0], [445.38549209862, 886812.0], [456.378147711695, 1982267.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "28", "compound_name": "C046", "retention_time": 473.25, "retention_index": 3188.157895, "peaks_json": [[169.091814824045, 15401811.0], [181.055328401712, 7488355.0], [181.067404235639, 10688882.0], [224.0738886392, 10720860.0], [243.122997622351, 82545248.0], [250.089657359438, 11357700.0], [254.084524085365, 19125123.0], [255.087579796205, 6979457.0], [270.134154286255, 10720655.0], [292.1001454618, 9510818.0], [317.141993943707, 6884769.0], [323.112474020727, 5931066.0], [340.139652175563, 6005615.0], [356.134491294237, 22977941.0], [382.15043389183, 23731272.0], [402.194149068429, 11077599.0], [472.200233326038, 12359994.0], [473.201914910151, 8470607.0], [562.252270006814, 19690025.0], [563.252100037042, 8694890.0], [609.314457944314, 1306961.0], [628.305877521448, 1867711.0], [636.271611633537, 2746784.0], [637.272297794106, 1540253.0], [652.303888309006, 6730465.0], [653.306439891693, 3895432.0], [654.302726532633, 876671.0], [666.319802928903, 1899563.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "35", "compound_name": "C036", "retention_time": 475.39, "retention_index": 3206.269841, "peaks_json": [[107.085516154551, 9483947.0], [121.101152855244, 10618347.0], [145.085572412304, 8259660.0], [179.05223246647, 6363569.0], [197.086498039355, 17329105.0], [230.078829355435, 6684386.0], [251.037265753883, 34549444.0], [254.198163028426, 7344596.0], [267.210625620691, 772644.0], [269.168361439502, 5940302.0], [271.118092199178, 63188229.0], [281.226188330672, 1420828.0], [282.234387687099, 1523339.0], [326.965485885604, 32638471.0], [329.141579694069, 7241551.0], [338.123672322283, 2935042.0], [341.017166438337, 179645236.0], [343.244425613751, 3330598.0], [344.247836580119, 12333391.0], [351.304108530897, 3416820.0], [352.307926065663, 1042419.0], [366.32751353275, 1426870.0], [372.284344328841, 936678.0], [385.023014471137, 16619837.0], [387.002440614842, 40889160.0], [387.071811234133, 47441240.0], [399.075385167548, 11818432.0], [399.32843302461, 2121975.0], [401.053626852815, 143645547.0], [417.103726002997, 29001031.0], [461.090278099879, 64865175.0], [491.122509223354, 28003209.0], [535.109167132583, 30457185.0], [623.183374016273, 39315704.0], [639.37155606433, 1716606.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "38", "compound_name": "C027", "retention_time": 553.98, "retention_index": 3689.428571, "peaks_json": [[77.8176745906921, 1105498.0], [78.0684636990198, 96306.0], [82.0732795848055, 9728206.0], [83.0855186685394, 3813751.0], [84.0570203051836, 24187326.0], [96.0889137639502, 13565062.0], [110.104528290505, 4331643.0], [125.132499434281, 9242936.0], [137.132564763949, 12643663.0], [151.148014765965, 272037.0], [165.163722354008, 6773696.0], [221.225726286574, 177335.0], [239.094687744633, 26374355.0], [241.091546207015, 2365852.0], [252.267876882654, 725613.0], [264.267689650579, 609854.0], [279.071777922903, 14927474.0], [280.263490027391, 3433705.0], [281.26667063529, 618451.0], [283.245428279181, 11477561.0], [295.103228182222, 8954116.0], [309.260963609748, 3057013.0], [310.263897463589, 2019257.0], [311.254766620926, 552885.0], [311.276719257874, 66644267.0], [311.297431981013, 382907.0], [312.280109979739, 15093727.0], [313.273076732248, 5643033.0], [313.282260329117, 7566843.0], [314.276738618869, 3451603.0], [338.287235073685, 2209958.0], [339.29029588596, 4425253.0], [352.302761596925, 3169411.0], [380.297965788857, 180319.0], [408.329164396672, 436036.0], [503.107984232703, 8240469.0], [576.519464198185, 921322.0], [577.52028426797, 362736.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "11", "compound_name": "C120", "retention_time": 685.09, "retention_index": 4126.458333, "peaks_json": [[75.0229692071453, 2301993.0], [93.0698779063908, 1663778.0], [103.054293606216, 15510427.0], [105.03356058112, 2066627.0], [107.049209583129, 2707336.0], [117.070003671357, 12306337.0], [131.085664276014, 3224819.0], [151.057109467382, 1307911.0], [152.061836547775, 1997804.0], [165.069686482543, 3244386.0], [167.085333294048, 2425647.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "37", "compound_name": "C028", "retention_time": 686.64, "retention_index": 4131.071429, "peaks_json": [[77.0385523178361, 7668362.0], [78.0464678776025, 17319313.0], [79.0542606689319, 2904348.0], [88.9510113857997, 2439712.0], [89.0385704861689, 3355834.0], [92.057660976223, 2879321.0], [95.0491811761544, 1998774.0], [102.04646725429, 3400914.0], [105.069957582721, 5675971.0], [115.054182654207, 9716653.0], [118.077720405861, 5394116.0], [128.061981218478, 4093835.0], [137.008549033237, 5914490.0], [138.987684351396, 2553780.0], [141.069849381195, 2749159.0], [153.003209528696, 5025385.0], [153.069742444283, 2210223.0], [155.085611606336, 1761830.0], [161.077981144155, 2605379.0], [169.034685505322, 4162150.0], [185.092175287606, 1912104.0], [192.008016238982, 1261671.0], [193.016675702985, 7164164.0], [194.99573281518, 18486379.0], [196.975032053094, 14363577.0], [208.101122598463, 2611232.0], [208.105724404211, 4517486.0], [209.081187187617, 10329646.0], [225.042800158645, 335927310.0], [225.075711292344, 4851132.0], [227.022154115241, 61980398.0], [229.001495256691, 15378341.0], [254.999091183823, 2546060.0], [283.030754349748, 30753432.0], [285.027184878933, 4699884.0], [359.167478739011, 3613836.0], [429.088685133481, 14549168.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "28", "compound_name": "C045", "retention_time": 687.16, "retention_index": 4132.619048, "peaks_json": [[105.999073433196, 1775283.0], [160.953991092503, 1226737.0], [177.984755523284, 1479527.0], [180.00042964013, 1385258.0], [180.943758608915, 2947399.0], [180.961381219577, 1317069.0], [195.995454001979, 3008113.0], [196.992752093539, 2120075.0], [197.974508055988, 2732236.0], [198.95441899853, 1451189.0], [212.970014961884, 2160212.0], [213.006147303489, 2386663.0], [214.98560992714, 3498027.0], [220.957069324217, 1204344.0], [222.936453968368, 1331807.0], [229.019119616188, 6915685.0], [230.00074243328, 2982993.0], [236.98832473252, 1185682.0], [240.946899738586, 2559944.0], [253.982966844011, 1811236.0], [269.977845781938, 2553313.0], [270.975426915952, 1846637.0], [270.993770069105, 3843846.0], [297.079403794841, 2265634.0], [298.934550867121, 1902191.0], [328.980928284848, 2078425.0], [330.960641905517, 2496978.0], [372.953096157169, 1698848.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "50", "compound_name": "C018", "retention_time": 687.52, "retention_index": 4133.690476, "peaks_json": [[74.7638980336922, 1315359.0], [92.0621253034594, 11206795.0], [96.0041781292944, 2402236.0], [96.9938357952532, 2816247.0], [142.949133200664, 1632731.0], [146.07253965804, 5600562.0], [146.938422598673, 3339085.0], [147.080066384351, 3363357.0], [156.093186007163, 2830628.0], [164.949030139958, 6260392.0], [178.964482148007, 15193545.0], [193.979588455388, 3340202.0], [194.977060323591, 1971786.0], [203.000954298774, 1743787.0], [209.011554808631, 115823584.0], [209.029113642814, 19239207.0], [210.01053536351, 13525043.0], [210.02856105016, 2845220.0], [210.990970491228, 26624333.0], [211.00836812627, 11453500.0], [211.990172506941, 3030372.0], [223.027138632897, 5388498.0], [226.041539764125, 55568400.0], [227.039590062704, 30315831.0], [228.021238834046, 8540695.0], [236.952057886642, 1637840.0], [238.967668016334, 4121826.0], [239.004151623349, 3285037.0], [254.962852894029, 7306850.0], [265.020169474237, 42733124.0], [266.019164029332, 8639027.0], [269.014505230573, 2878028.0], [281.051364215883, 177490258.0], [282.049803555434, 38689430.0], [284.029739945336, 7339074.0], [285.009414657485, 21693770.0], [286.009062250596, 5316029.0], [287.006757898035, 4613451.0], [312.950339368404, 2870255.0], [312.986211377174, 2448284.0], [313.019993142226, 1479514.0], [326.982724315442, 4863722.0], [344.975776862771, 10267994.0], [345.976092174038, 3016933.0], [346.046486912175, 1754291.0], [346.973191534072, 1590963.0], [382.97408022551, 1514772.0], [386.969422084375, 2096957.0], [402.964369782575, 1172149.0], [493.152823320977, 2513229.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "57", "compound_name": "C012", "retention_time": 687.83, "retention_index": 4134.613095, "peaks_json": [[78.0419846383593, 1742200.0], [79.0497716096318, 1893817.0], [85.0284186196566, 2191757.0], [121.046741626167, 6162741.0], [142.078087888737, 3381352.0], [192.997735629267, 9539743.0], [195.029110650825, 3772846.0], [205.016711322548, 5926636.0], [207.066696618797, 3714385.0], [209.098935410027, 6173585.0], [213.05754958053, 13341991.0], [219.06802937228, 2601724.0], [253.016653119059, 43935840.0], [269.047850642358, 4644691.0], [271.027137265637, 6759639.0], [281.085992168442, 2140320.0], [284.047997947258, 8403825.0], [311.073606748707, 3371803.0], [313.113777264345, 2391990.0], [325.985953604199, 8513850.0], [327.03525664153, 49155384.0], [328.035343658, 13109000.0], [329.014530869431, 3595462.0], [331.063707530223, 2063612.0], [343.084122931946, 3769846.0], [345.046169172075, 8812838.0], [353.090427317747, 2832675.0], [359.09769204202, 9873384.0], [360.028136457829, 10686927.0], [360.169639740951, 3818378.0], [371.040514349465, 1472266.0], [387.002413998209, 12940469.0], [387.071825807939, 15096984.0], [389.068871345424, 1810336.0], [402.055174276849, 12479459.0], [404.05195192305, 1405422.0], [458.971973456131, 1214840.0], [459.041861218696, 1286084.0], [460.952039584771, 4371596.0], [461.021207128847, 2869881.0], [461.090256355859, 17842323.0], [461.951796665319, 1222018.0], [462.091555156095, 6970195.0], [463.088708091285, 2556050.0], [475.072310244956, 13564752.0], [476.003821454759, 1471505.0], [476.143434019655, 13026182.0], [477.140480798609, 4944561.0], [478.141485242814, 1506934.0], [479.101672410454, 3603024.0], [490.12632015072, 18188437.0], [491.122346777972, 10290558.0], [549.162553092955, 24746614.0], [563.144239233773, 12735845.0], [624.183209223215, 7134906.0], [637.164550513183, 3866368.0], [698.205944560218, 1919968.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "43", "compound_name": "C020", "retention_time": 687.99, "retention_index": 4135.089286, "peaks_json": [[109.052235628516, 1922885.0], [111.044058476785, 1730416.0], [133.064909307365, 1579533.0], [137.041722086745, 2474039.0], [194.053642118165, 5252308.0], [212.061782732582, 10437319.0], [267.034768010352, 4429084.0], [267.068824022318, 27744081.0], [268.069192256745, 2367920.0], [310.970568727813, 3126083.0], [311.004219192148, 2666091.0], [325.055731606087, 7634729.0], [327.965549188207, 5442532.0], [328.962716535303, 2722019.0], [339.03821058645, 6627839.0], [341.051986399316, 1671451.0], [342.996634492902, 3939816.0], [345.115297423962, 3938049.0], [358.067243216398, 3526875.0], [361.025211906011, 6516476.0], [388.003000430725, 3422825.0], [388.073272089579, 4224454.0], [399.005054559559, 4141766.0], [401.984326631505, 5585170.0], [402.98179623463, 3562508.0], [416.036473280551, 7221552.0], [417.033665098569, 4129234.0], [417.087073648909, 1945166.0], [418.994970709551, 2648178.0], [430.088321970134, 10765018.0], [431.085366629672, 6887942.0], [473.09370665615, 2502410.0], [475.002854889036, 2969642.0], [475.14184210128, 30625723.0], [477.070907310139, 2271450.0], [489.055479984185, 1973511.0], [503.107930410573, 2407435.0], [549.092119293556, 2513579.0], [552.160354111203, 1673065.0], [565.143723544965, 3485979.0], [610.132183060405, 1997085.0], [625.181479977537, 3872339.0], [697.202597429349, 2820429.0]]}], "scores": [[[0.0007392238481967879, 1], [0.0019065054216744076, 4], [0.008508546202915876, 2], [0.0009412362929847642, 1], [0.005233390868518034, 3], [0.004943549018853165, 2], [0.0, 0], [0.00020679693960451776, 1], [0.0013350483589376796, 1], [0.0, 0], [0.0006218667010299064, 2], [0.025053718208516575, 3], [5.297698362981751e-05, 1], [0.0014173110497783024, 2], [4.672512959269023e-05, 1], [0.0, 0], [0.028160656635412555, 1], [0.008702199233990177, 2], [9.695228062401127e-05, 1], [0.0, 0], [0.004474324248437862, 4], [0.0060102782135089535, 4], [0.0, 0], [4.11846153074688e-05, 1], [0.0, 0], [0.08317150123353106, 5], [0.01806123703343606, 2], [0.0, 0], [0.0, 0], [0.0002460854876002919, 1], [0.002733798241015931, 3], [0.0, 0], [0.03064093870605945, 2], [0.0017215269954060936, 1], [0.037615977206556, 1], [0.002243778631458145, 1], [0.00018710649157351072, 1], [0.0, 0], [0.1752393341399093, 1], [0.0, 0], [0.12194776100819206, 1], [0.0788262516194191, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.002203864264981604, 1], [0.0011782741471383063, 2], [0.0, 0], [0.002567551355356312, 1], [0.0, 0], [0.0, 0]], [[0.03047487173285032, 1], [0.008612155405133827, 1], [0.002236896928744131, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.009621934920062082, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.025071274388501315, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.3632254452201241, 1], [0.0, 0], [0.03061219676618473, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.007565204618642115, 1], [0.009309634725398712, 1], [0.020274730054383905, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0011261055119283962, 2], [0.0, 0], [0.009546090376874372, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.010845796825649115, 1], [0.0034959318345991904, 1], [0.004921150871885905, 1], [0.005664185297475604, 1], [0.0017459145304626945, 1], [0.027843621884552517, 2], [0.06853028287600726, 1], [0.0, 0], [0.010722756266355002, 1], [0.006211228837836535, 3], [0.019094163985639418, 1], [0.03384456583647226, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.07112275811826084, 2], [0.0, 0], [0.09639598176270271, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.05833669446177954, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.01277926031231474, 1], [0.0, 0], [0.0, 0], [0.0650918871354419, 1], [0.0, 0]], [[0.0, 0], [0.002806784699864658, 2], [0.00396680371335804, 3], [0.0022808858085308636, 1], [0.011123001919553356, 2], [0.0017142251137820834, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0008355394562044461, 3], [0.007215134913288581, 2], [0.003704260431629938, 1], [0.00011983397580674734, 1], [0.0005503009450910624, 1], [0.0, 0], [0.009651262924175032, 1], [0.0034820727805540326, 2], [0.007435253221332149, 1], [0.0, 0], [0.0016850263639244419, 2], [0.0009584450330495024, 2], [0.0, 0], [0.000728634223822433, 1], [0.0, 0], [0.0, 0], [0.0057882562067881295, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.00022683656779651874, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.007185301825353212, 1], [0.0, 0], [0.0, 0], [0.005073303027829124, 1], [0.060058290200336054, 1], [0.0, 0], [0.0, 0], [0.02071111953634145, 1], [0.0, 0], [0.002162312073271555, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.12964068994429523, 3], [0.0008799550920522309, 1], [0.0, 0], [0.0, 0]], [[0.1531086374240407, 2], [0.09172921844029029, 8], [0.21123947571230445, 13], [0.007608103411876055, 2], [0.0005459677254750425, 2], [0.0009136885290293295, 4], [0.0055120560639637045, 3], [3.7966011625142664e-05, 1], [3.977432431351796e-05, 2], [0.006339186715950831, 1], [0.0009092474626538134, 3], [0.0, 0], [0.024197618455874325, 9], [0.0, 0], [0.0, 0], [0.0, 0], [0.08898652772216423, 6], [0.04372483292984141, 5], [0.024100209643383323, 8], [0.0, 0], [0.007383203364240238, 7], [0.012399562993999903, 10], [0.0032044861607767915, 1], [0.003125749417226787, 2], [0.0036519815092080268, 2], [0.010688947032336799, 7], [0.02251260635276288, 7], [0.0, 0], [0.0006699735011425604, 1], [0.0, 0], [0.0, 0], [0.004109455453540664, 2], [0.057714713643422524, 5], [0.0012036511126144126, 2], [0.020120777065676602, 2], [0.0, 0], [0.0013351689510655667, 1], [0.0, 0], [0.014803603776621573, 1], [0.011625374574978423, 4], [0.0003761753934407616, 1], [0.0, 0], [0.00366369586869138, 1], [0.0, 0], [0.0015829698963506385, 1], [0.13527776883342876, 1], [0.005909073564458197, 5], [0.01995296650794565, 3], [0.003964088825312328, 4], [0.0009131001302582304, 1], [0.0, 0]], [[0.0, 0], [0.0001713060824736279, 1], [0.0, 0], [0.0, 0], [0.0182028554932901, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005384720208114814, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.017823630900108394, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.006606672366217307, 2], [0.0003179617090700877, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.08710546798487458, 1], [0.0, 0], [0.13774763771211443, 2], [0.00010183895420825716, 1], [0.0, 0], [0.0, 0], [0.003920641513123572, 1], [0.0, 0], [0.0, 0], [0.0012775819149236343, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0003128264836527161, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.006890963814722211, 2], [0.0008346945304398558, 1], [0.0, 0], [0.0, 0], [0.007564865999364394, 1], [0.045010694204066906, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.006396929222939743, 3], [0.0, 0], [0.010177856075859675, 2], [0.0, 0], [0.0, 0], [0.000549894924592155, 1], [0.03874085860814141, 2], [0.0, 0], [0.00734242895297592, 2], [0.021018081522754393, 2], [0.0059135575107855535, 1], [0.0002104135530235893, 2], [0.055686653896437205, 1], [0.0, 0], [0.0, 0], [0.0075185404904250745, 3], [0.06467351916678586, 1], [0.02750157368270037, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.012573042817291748, 1], [0.0, 0], [0.0, 0], [0.00236483916940418, 1], [0.0, 0], [0.0, 0], [0.00034853965251124906, 1], [0.0562006310944041, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.05351024774800468, 2], [0.0, 0], [0.0, 0], [0.05289266639881834, 1], [0.0, 0]], [[0.000372520558416439, 1], [0.0001879331319900292, 1], [0.015514412713225897, 1], [0.00011679794631459715, 1], [0.0, 0], [0.009039845380457734, 2], [0.038779387664778404, 1], [7.508029665679353e-06, 1], [0.0, 0], [0.0, 0], [0.002133941308196288, 3], [0.004402392793156466, 1], [0.0, 0], [0.0006593838571855675, 1], [0.0, 0], [0.0, 0], [0.08317875333260191, 2], [0.01577469797497876, 2], [0.0, 0], [0.016529074372003103, 1], [0.011422714784964457, 3], [8.939741848996437e-05, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.007301795282359974, 2], [0.08662402690043705, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0006330917503054503, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [9.428945629166165e-05, 1], [0.0, 0], [0.3206558519481233, 1], [0.0, 0], [0.004427470779130813, 1], [0.1105782675059875, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00469814822861072, 1], [0.0, 0], [0.0, 0]], [[0.0022772414718468855, 2], [0.0076246737112799085, 11], [0.03031108374758338, 16], [0.0, 0], [0.0016469669438692088, 4], [0.03191237122800139, 5], [0.019254118774558585, 6], [0.0002379751839595096, 2], [1.3947215671842948e-05, 1], [0.0, 0], [0.009855199963367771, 8], [0.006095889683418262, 1], [0.0008836898164601665, 8], [0.014965075079224835, 3], [0.0004474854012111714, 3], [0.0002527881183091196, 3], [0.11835075521415812, 6], [0.022351430554649106, 4], [0.03636991518207011, 9], [0.002549293239623766, 2], [0.014254776898082315, 8], [0.005684627289546969, 11], [0.0025439341965393237, 2], [0.0002641740120389319, 2], [0.0009386555670720858, 2], [0.021410382167036807, 11], [0.07853512752651001, 4], [0.00399731357452862, 1], [0.0, 0], [0.0, 0], [0.0021265889212056205, 4], [0.008878952260313114, 2], [0.009805725898373576, 4], [0.00019827313192432038, 1], [0.0007808308606975949, 1], [0.0, 0], [0.005027707251037985, 2], [0.0, 0], [0.4479813614745304, 3], [0.0021160436520563995, 2], [0.007417402047556686, 2], [0.15311512438141883, 1], [0.0, 0], [0.18474730701395245, 1], [0.004587867238674303, 1], [0.0, 0], [0.0004922935538650026, 2], [0.03079950223221039, 3], [0.008031437001013558, 3], [0.006323850342122364, 3], [0.015480673115400877, 4]], [[0.0, 0], [1.6756371474235944e-05, 1], [6.175250579134967e-05, 1], [0.0, 0], [3.7287154698043327e-05, 2], [0.0, 0], [0.05262730129736535, 1], [0.0003099166526718064, 1], [4.3402324422590004e-05, 1], [0.0, 0], [0.0018858297564363319, 2], [0.000259976696812187, 1], [5.693220019900203e-06, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.04295193155702889, 1], [0.0, 0], [0.0, 0], [0.022431519152945296, 1], [0.006914236235691952, 1], [4.6558887669632674e-05, 2], [0.0024980356227360034, 1], [0.0, 0], [0.0, 0], [0.006605014718853129, 3], [0.07727074113511116, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [7.832777314117875e-05, 1], [0.0, 0], [0.0, 0], [0.0004082196609706136, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.009102001892979664, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0026186410623888733, 1], [0.0, 0], [0.0, 0], [0.00027491705854059404, 1], [0.0, 0], [0.0, 0]], [[0.0014581227101899362, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.001249495634862565, 1], [0.0015089772226562785, 1], [0.0, 0], [0.022580271862814583, 1], [0.0, 0], [0.0015804823758472115, 1], [0.0, 0], [0.0, 0], [4.762665198712318e-05, 1], [0.0005008352175297367, 1], [0.0, 0], [0.001471184060833205, 1], [0.0, 0], [0.0, 0], [0.004157139662371019, 2], [0.011082717173793537, 2], [0.0, 0], [0.00011054528432342946, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0008153652843723068, 1], [0.027963931720359946, 2], [0.00569534765610561, 2], [0.0, 0], [0.008376050318600298, 1], [0.0, 0], [0.03390217390635045, 1], [0.0016892203872309955, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0006942956801730065, 1], [0.0, 0], [0.023586987164099307, 1], [0.0, 0], [0.0, 0]], [[0.0036955954121259795, 1], [0.005998200768848426, 3], [0.01839994591814711, 3], [0.03835312181670359, 3], [0.00010656766741609728, 1], [0.000504267573951919, 1], [0.03217297852723471, 1], [0.0013239682356025078, 2], [0.0, 0], [0.045273201902415336, 2], [0.00587219381073884, 1], [0.010541402928011779, 2], [0.0001228479945548304, 1], [0.0, 0], [0.0, 0], [0.054649377931518354, 2], [0.0077921078312526695, 1], [0.0, 0], [0.0008245627411490198, 1], [5.4193605250559335e-05, 1], [0.0, 0], [0.02221081504053672, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.017077147633982354, 2], [0.0, 0], [0.0010322225862503445, 1], [0.0, 0], [0.0, 0], [0.010903835438032411, 1], [0.03929192739673916, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.15384529903812316, 2], [0.0, 0], [0.02264042023187293, 2], [0.016570799667670867, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.026775047079578018, 1], [0.005115239539511514, 2], [0.0, 0], [0.0, 0]], [[0.0440734042713658, 1], [0.008432873526551608, 8], [0.005243681864315263, 8], [0.0017497604806724612, 3], [0.0024432944019245977, 6], [0.0007847380594165099, 6], [0.0011781633810797943, 2], [0.012184183261067662, 2], [0.0277908960627462, 3], [0.07358848526683223, 3], [0.001790070732871966, 6], [0.014393621253286758, 6], [0.003878429892895676, 7], [0.0017734396234243164, 2], [0.0005506959166018534, 3], [0.006534986145399196, 3], [0.005043980382821577, 4], [0.010596874886479087, 7], [0.011948005723631186, 4], [0.0, 0], [0.0026979766868649884, 7], [0.0017455413131666586, 7], [0.009835795308033742, 3], [0.0018712207001859965, 3], [0.0, 0], [0.02876363908937127, 11], [0.011957404032399628, 5], [0.0011575469813861485, 1], [0.0, 0], [0.0, 0], [4.189664453036103e-05, 2], [0.10315721847484662, 3], [0.00154090244923933, 1], [0.036982823164396134, 2], [0.002405229315784348, 1], [0.0010434159780653056, 1], [0.04607141047733247, 5], [0.0, 0], [0.01824896601591598, 2], [0.007418227288872828, 2], [0.014844835395409036, 4], [0.014378947114278213, 6], [0.0, 0], [0.0, 0], [0.0014213232824094387, 1], [0.006066753428355865, 1], [0.05085741161360631, 6], [0.0, 0], [0.007631880607459354, 1], [0.03794212264478237, 1], [0.0020955988254692933, 4]], [[0.0036955954121259795, 1], [0.005998200768848426, 3], [0.01839994591814711, 3], [0.03835312181670359, 3], [0.00010656766741609728, 1], [0.000504267573951919, 1], [0.03217297852723471, 1], [0.0013239682356025078, 2], [0.0, 0], [0.045273201902415336, 2], [0.00587219381073884, 1], [0.010541402928011779, 2], [0.0001228479945548304, 1], [0.0, 0], [0.0, 0], [0.054649377931518354, 2], [0.0077921078312526695, 1], [0.0, 0], [0.0008245627411490198, 1], [5.4193605250559335e-05, 1], [0.0, 0], [0.02221081504053672, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.017077147633982354, 2], [0.0, 0], [0.0010322225862503445, 1], [0.0, 0], [0.0, 0], [0.010903835438032411, 1], [0.03929192739673916, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.15384529903812316, 2], [0.0, 0], [0.02264042023187293, 2], [0.016570799667670867, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.026775047079578018, 1], [0.005115239539511514, 2], [0.0, 0], [0.0, 0]], [[0.027932757745475018, 4], [0.06038244282054797, 12], [0.03399484306622261, 22], [0.022433785372347328, 9], [0.0022778461641162883, 8], [0.0014797038078916637, 6], [0.0024631623778282813, 4], [0.018045184345678505, 5], [0.014674789509228537, 9], [0.10640152237540135, 7], [0.0012880334979144651, 9], [0.023620648997250183, 7], [0.003092466464941817, 15], [0.0046705311940518236, 2], [0.0008053140603618655, 5], [0.01118436175651329, 6], [0.0023998408512426192, 2], [0.020096733483273115, 10], [0.00727354859406154, 3], [0.0017392692702199225, 3], [0.00963727354802946, 15], [0.0037846334777106526, 15], [0.02947614561922505, 7], [0.001431772785294656, 8], [0.0, 0], [0.029933407574865546, 19], [0.01285051803595888, 7], [0.003080211867040917, 1], [0.001871599085715986, 1], [0.0, 0], [5.9327436845410956e-05, 2], [0.07029758972210057, 3], [0.0020580731130369592, 1], [0.023056234965812595, 3], [0.001419684660923295, 2], [0.01092143854239901, 2], [0.059088629865304394, 11], [0.0, 0], [0.09807762650300898, 4], [0.04649762361339428, 3], [0.04388830465433297, 12], [0.0717982220443374, 15], [0.0, 0], [0.001440870943059833, 3], [0.0021259135399198186, 2], [0.07837891730335103, 6], [0.032749597682981406, 10], [0.0010111459832670693, 1], [0.006105019367375042, 4], [0.023602655825008475, 2], [0.003519655810043104, 4]], [[0.12163052809382871, 2], [0.00019089576536046344, 1], [0.016901578171313627, 3], [0.009750864135069126, 3], [0.00013508950821630725, 2], [0.0, 0], [0.00981870694931005, 2], [0.0, 0], [0.00020492970477945158, 1], [0.17219942035205427, 2], [0.0012343872567673767, 1], [0.002935983726964555, 1], [0.001083402045955606, 3], [0.0010126442283639242, 2], [0.0, 0], [4.57508865850574e-05, 1], [0.0, 0], [0.004235164401839183, 1], [0.00351722521045429, 1], [0.0, 0], [0.004415338485909194, 3], [0.0009309252572724965, 4], [0.0, 0], [0.0026269067025135925, 2], [0.00041861917882790123, 1], [0.0005779007437575149, 3], [0.0005194285557632701, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0068776720419091815, 1], [0.0, 0], [0.0004521684149690649, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00117848716969683, 2], [0.00544540749067822, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.10787889760039032, 1], [0.0002774454333605797, 1], [0.0, 0], [0.020268440063043083, 2], [0.0, 0], [0.0010228810365896684, 1]], [[0.0, 0], [0.010215203086600535, 4], [0.002748443199443271, 3], [0.0002165323367191492, 1], [0.010426795527366254, 2], [0.0, 0], [0.013199609603740994, 3], [0.8149016029858368, 3], [0.0010566676672061916, 2], [0.0010978343689275858, 1], [0.006139880469888849, 6], [0.7578160314442438, 4], [5.3121727411244e-05, 1], [1.1376251587313903e-05, 1], [0.03490759459106092, 3], [0.005097468867153611, 1], [0.1876842622812488, 3], [0.42543841896130863, 2], [0.00030777505764942396, 1], [0.21955707467985677, 2], [0.017782706515659535, 4], [0.045506278770246614, 5], [0.002662088516640919, 1], [0.00015311064007801433, 1], [0.0, 0], [0.09423694981639685, 5], [0.1589080546699209, 2], [0.001392367271231172, 1], [0.0, 0], [0.0, 0], [6.917218539728266e-05, 1], [0.0, 0], [0.0011337487020660945, 1], [0.0, 0], [0.0006821254218238284, 1], [0.0, 0], [0.5445755137228012, 5], [0.0, 0], [0.0, 0], [0.0, 0], [0.019508532402852462, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0008803191646629361, 2], [0.0, 0], [0.0005408811370416887, 1], [0.002741595691305487, 1], [0.0, 0]], [[0.000662913081893034, 1], [0.0021511260374936962, 4], [0.0, 0], [0.013718044532509154, 3], [0.06572860429534125, 2], [0.0, 0], [0.00291841004831039, 1], [0.00032471815775229527, 3], [0.9615972463125247, 2], [0.03846405235848336, 1], [0.0066280230300282085, 1], [0.003636804378257465, 3], [0.04361907635713056, 2], [0.0, 0], [0.0, 0], [0.014503796348157377, 2], [0.005112533330920887, 2], [0.0, 0], [0.0007663245342722501, 1], [0.0001526888907588971, 1], [0.007959113493399707, 3], [0.019364338422333958, 3], [0.11006410740373199, 1], [0.0, 0], [0.0007341120547976082, 1], [0.001049175700881116, 2], [0.00304029539222788, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0044652866752952, 1], [0.0, 0], [0.0009336815690333871, 1], [7.7508911436448e-05, 1], [0.0, 0], [0.03456315395802131, 1], [0.0, 0], [0.004382595643966184, 3], [0.053631202859383394, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.004736624311984746, 1], [0.013898038896192268, 5], [0.0, 0], [0.002787926962489201, 1], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.0005098846935600378, 2], [0.0, 0], [0.10962327436338565, 3], [0.0, 0], [0.0, 0], [0.0012354743728366395, 1], [0.0005666660908326226, 2], [0.0030829382168790533, 1], [0.0027636865008366872, 1], [4.711723141988873e-05, 1], [0.0003467437409297098, 2], [0.0010195284342981701, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0003932275712526957, 1], [0.0, 0], [9.020241040864228e-05, 1], [0.012567625490766877, 2], [0.0, 0], [0.03256439511759791, 1], [0.0, 0], [0.0, 0], [0.006908255197659249, 2], [0.007853598270349375, 1], [0.0, 0], [0.09746429231898772, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.011534592263423061, 1], [0.0, 0], [0.0, 0], [0.0002002186545261603, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0014685256038476555, 2], [0.1061302223643331, 2], [0.0, 0], [0.03431939028384917, 1], [0.0, 0], [0.13833761125137878, 2], [0.003136185847097049, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.12101279752551848, 2], [0.0034102242755095374, 1], [0.004658065123740685, 3], [0.001165231446017801, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.002403073073439906, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005177785183917364, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.023893031251174427, 1], [3.645075096404005e-05, 1], [0.003356341616796067, 1], [0.0006589408714858711, 1], [0.0005191626297753216, 1], [0.11391561145992796, 1], [0.0, 0], [0.0, 0], [0.04134093233803291, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0010010824888837015, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0001719387281984803, 1], [0.0, 0], [0.0, 0], [0.23911795586885762, 2], [0.0, 0], [0.029604528617743365, 3], [0.0, 0], [0.15050994460485362, 1], [0.00635633961026569, 1], [0.0, 0], [0.0, 0], [0.011870852068525542, 1], [0.0, 0], [0.006959549819393991, 1], [0.011010934428252371, 1], [0.0, 0]], [[0.0, 0], [0.0003210298786749089, 3], [0.001974461796909708, 2], [0.0011826171272397998, 1], [8.47127965165773e-06, 1], [2.3011486096869707e-05, 1], [0.0, 0], [0.0002428761023841543, 1], [0.0005251969681483837, 2], [0.00247106599917065, 1], [5.2612708835938754e-05, 1], [0.0, 0], [0.0011066315928589892, 3], [0.0, 0], [0.0, 0], [0.0001536281299519812, 1], [0.0, 0], [0.0, 0], [0.0003390592080823626, 2], [0.0, 0], [0.0037403923668866963, 5], [1.3778208382083877e-05, 1], [0.0009290228972226481, 1], [0.0004089392885242885, 2], [0.0, 0], [0.007763693210891153, 6], [0.003371909079147301, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.004952328224393406, 1], [0.0, 0], [0.0, 0], [8.596302940020173e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.025776503844114687, 2], [0.15231867657382508, 6], [0.0, 0], [0.0, 0], [0.0065371392744573735, 1], [0.0021706098667868276, 1], [0.0015333085672392702, 3], [0.0, 0], [0.0001464468303507968, 1], [0.0, 0], [0.002513064712130509, 2]], [[0.011358506354862347, 5], [0.006709729340590622, 9], [0.03044109510008919, 17], [0.022103011795898422, 5], [0.03941952475599433, 8], [0.025476877277103214, 3], [0.021705578837768295, 4], [0.015082193901418704, 9], [0.00040620206007270146, 3], [0.016702123999260576, 4], [0.0019905155546109713, 8], [0.008212452477625556, 3], [0.0023955316875689616, 10], [0.006430505290785762, 4], [0.049675883063840395, 4], [0.003966295630354804, 6], [0.01680662313269849, 6], [0.022187890827381054, 4], [0.002112473424532719, 4], [0.0013446710921987362, 3], [0.15146088555482382, 11], [0.04751258740601224, 16], [0.23099832140782792, 3], [0.7904224091921885, 5], [0.0, 0], [0.018353662035549088, 15], [0.00523447810517462, 2], [0.0, 0], [0.0, 0], [0.002777869762605677, 1], [0.0021111155578936963, 4], [0.0, 0], [0.003957206027080492, 3], [0.0007024396134401729, 2], [0.04392079902906019, 5], [0.0031334431776187414, 6], [0.005695865592089395, 7], [0.0, 0], [0.08888323487087417, 6], [0.0011496086361496196, 1], [0.03158157277987878, 7], [0.04357506781439867, 8], [0.0, 0], [0.0012317897803221808, 1], [0.0, 0], [0.0008261674152679575, 1], [0.006286676259492611, 4], [0.012883913096310633, 1], [0.0017369398283224144, 3], [0.0002432056571559822, 1], [0.0, 0]], [[0.005463129280575349, 1], [0.0235433214625929, 8], [0.0014501228788349001, 3], [0.011739691774336262, 3], [0.00042102265707001066, 2], [0.00021429819995696803, 2], [0.003301779208143479, 2], [0.0002372727093168893, 1], [0.0013706879923922226, 2], [0.0, 0], [0.0008149372345536576, 3], [0.016594392849897163, 5], [0.0003193596245328007, 3], [0.009811347814632745, 2], [0.0, 0], [0.0002027234352023159, 2], [0.0010434712627196906, 2], [0.041276075330324964, 4], [0.0, 0], [0.0005767196456375351, 1], [0.014277103461045786, 5], [0.023346357071112996, 9], [0.0, 0], [6.106267031214804e-05, 1], [0.0, 0], [0.005582790163500549, 7], [0.006432495450811827, 2], [0.0, 0], [0.05338627217152306, 1], [0.0, 0], [5.4561523100982474e-05, 1], [0.007144726843515204, 1], [0.005388457773582322, 3], [0.005220512323923388, 2], [0.0, 0], [0.0004156740136226282, 1], [0.001466763835040315, 2], [0.0, 0], [0.001195645605971574, 1], [0.0, 0], [0.0008555996683991175, 1], [0.050087001346632486, 3], [0.0, 0], [0.0, 0], [0.0015299171710668152, 1], [0.003981601993459917, 1], [0.0021340062089608763, 4], [0.0, 0], [9.805539437972387e-05, 1], [0.0, 0], [0.0015258226017205963, 1]], [[0.0, 0], [0.00012384379710929272, 1], [0.0, 0], [0.007580897843162547, 1], [0.0, 0], [3.181144091373044e-05, 1], [0.0, 0], [0.0, 0], [9.811749531232385e-06, 1], [0.0, 0], [0.0, 0], [0.0030766117721369307, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.14303048733683554, 2], [0.0, 0], [0.0, 0], [0.0019049438923879553, 1], [0.0, 0], [0.07396540894037511, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0007830031273050843, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.009702465696291228, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0004924245289360575, 1]], [[0.0, 0], [0.0169297421511591, 1], [3.167910414563494e-05, 1], [0.02696439743941146, 2], [7.652253177844613e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.006233325871946837, 3], [0.0, 0], [2.6293041902188076e-05, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0012318074720059971, 1], [0.0, 0], [0.023738711809115513, 4], [0.01766774765295482, 3], [0.013284955608727894, 2], [0.0, 0], [0.0, 0], [0.0006388224890765113, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.000224694372632438, 1], [0.03624792824976939, 3], [0.00411177932021756, 1], [0.0004727177185900778, 1], [0.0, 0], [0.0061210313899495526, 2], [2.564845825309364e-05, 1], [0.0, 0], [0.3221785173435524, 1], [0.0018341313955186351, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0014034772322722112, 1], [0.00033815103248193204, 1], [0.001810348390154957, 1], [0.23518926887912128, 1], [0.0, 0], [0.0008157802604315354, 1]], [[0.0, 0], [0.00853988302281127, 1], [0.00023080192898039073, 1], [0.0, 0], [0.012765866142753502, 1], [0.0, 0], [0.0015429432924292318, 1], [0.0, 0], [7.886597523857264e-06, 1], [0.0, 0], [0.001608817018980604, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.07804296349629229, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.01756646146192679, 2], [0.0, 0], [0.0, 0], [0.0017530940666202722, 1], [0.07790909903506463, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [5.688477960592481e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.043419100214185505, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0002904321027256361, 1], [0.0, 0], [0.0, 0], [0.009132581057700168, 1], [0.015182447035013027, 1]], [[0.0, 0], [0.0018729700283769868, 2], [0.007007707817051881, 3], [0.0, 0], [0.0, 0], [0.0001258133074737068, 2], [0.025533905171859106, 2], [0.0, 0], [0.0, 0], [0.29921097365528254, 1], [0.013535827872217635, 2], [0.0010506962451901115, 1], [0.0007224906056087433, 2], [0.0005442276061065612, 2], [0.0, 0], [0.0, 0], [0.0010245216882085579, 1], [0.006467689557307977, 2], [0.00014431554090587305, 1], [0.0, 0], [0.0, 0], [0.0008983747547948213, 4], [0.0, 0], [3.118329675696701e-05, 1], [0.0, 0], [0.0009226126583170038, 1], [0.004170714127784319, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.003937274680087538, 2], [0.40599269142482014, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0016414819201714763, 1], [0.0009939505144220115, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.09931984511218646, 4], [0.003936849351250348, 1], [0.0, 0], [0.0005179784240524619, 1], [0.0, 0], [0.0, 0], [5.1223920314790875e-05, 1], [0.0, 0], [0.027603635059095546, 1], [0.0, 0], [0.0, 0], [0.002000057887247092, 3], [0.0, 0], [0.0, 0], [0.0022235051806239734, 2], [0.0, 0], [0.00027665632993863144, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0022417776115157594, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.021686710289832017, 2], [0.0007111543716465286, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0012601991654609948, 2], [0.0, 0], [0.017279531626629, 1], [0.0020380699842303006, 2], [0.0, 0], [0.13923880681544681, 1], [0.07520014300844557, 2], [0.0031360604953041523, 1], [0.05640192511602715, 2], [0.0011393249796109084, 1], [0.0, 0], [0.0, 0], [0.10046871040887385, 1], [8.820184511181043e-05, 1], [0.0, 0], [0.006224453696112423, 1], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.11322719163349794, 2], [0.004343706771006077, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0020453340700040804, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.001478233373014335, 1], [0.0, 0], [0.0, 0], [6.642130945996902e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.002473456239095904, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.021895897629384625, 2], [0.005184240728687951, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.004982544877758833, 2], [0.0, 0], [0.01906530116590917, 1], [0.0, 0], [0.0, 0], [0.15362857300063418, 1], [0.08170403807154308, 1], [0.0, 0], [0.054348770363604075, 1], [0.002480153166088772, 1], [0.0, 0], [0.0, 0], [0.11085174431139226, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.010209029657020804, 1]], [[0.0, 0], [0.0021819870199845117, 1], [0.003146823314713881, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0043899954736445175, 1], [0.0028936908495104975, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0025054806149975126, 2], [0.000305463587406233, 1], [0.00016099689311172374, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0006920875968152612, 1], [0.0, 0], [0.004597895132031796, 1], [0.00019726895884436196, 2], [0.0, 0], [0.00014954434413534562, 1], [0.0, 0], [0.005950000752381149, 1], [0.040173826703942095, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.13336821239620023, 1], [0.06079130757205999, 2], [0.0, 0], [0.0, 0], [0.0018561108006058932, 2], [0.0, 0], [0.0, 0], [0.006937173898056291, 1], [0.0030050185189220454, 1], [0.31075007189905535, 1], [0.0, 0], [0.0, 0], [0.00040594227596427645, 1], [0.053394670168607716, 2], [0.006451433487342886, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.0003875211927159118, 1], [0.005401170457380327, 3], [0.0, 0], [0.006976037877612878, 1], [0.0, 0], [0.03569513156478718, 1], [0.0, 0], [0.00018245203021647775, 1], [0.0, 0], [0.001983214923932289, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.042647374125909854, 1], [0.00048241604634690537, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.014140825280120967, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.062357371686889096, 3], [0.0, 0], [0.0, 0], [0.0010954886775477225, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0013159976144492941, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.023726810568036844, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00671898453319525, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.017739641117151057, 2], [0.015580865087998845, 4], [0.0034311435351382334, 7], [0.00098676566278475, 1], [6.158222620162039e-05, 1], [0.001329629396970546, 1], [0.03719104755063942, 4], [0.00015353366014726356, 2], [3.4173533746720386e-06, 1], [0.2353036296190877, 4], [0.025736665707439935, 5], [0.004075810154138623, 2], [0.00017276701012188688, 2], [0.0008095516951293073, 2], [0.01238681291370666, 2], [0.0, 0], [0.0, 0], [0.010441738486393124, 3], [0.0001430925801445823, 1], [0.0, 0], [0.021770160828589836, 4], [0.00862855454386217, 4], [0.0, 0], [0.00015727382702101708, 1], [0.0, 0], [0.0006828936289791219, 2], [0.05905285649760958, 1], [0.0, 0], [0.012284646875078176, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.34032471442126516, 3], [0.0019384018211834398, 1], [0.0, 0], [0.0, 0], [0.1584516876924989, 4], [0.0, 0], [0.003595821214984569, 1], [0.004700014124909527, 1], [0.06940972377339277, 2], [0.19787319607794535, 2], [0.0, 0], [0.01598108446402744, 1], [0.0, 0], [0.0, 0], [0.0002825861564384208, 2], [0.006485524594921533, 1], [0.0, 0], [0.0, 0], [0.0011858640912883061, 1]], [[0.0, 0], [0.006352319381490439, 2], [0.003748076286515718, 3], [0.00212659341805517, 2], [0.01362867070744426, 1], [0.0013031590249946907, 1], [0.01748346940764544, 1], [0.0014006461767426036, 4], [0.00040193935217483674, 1], [0.0, 0], [0.0009515913781987755, 2], [5.9891453678993895e-05, 1], [0.0003889352805902604, 2], [0.0, 0], [0.0, 0], [0.0104322084425368, 2], [0.008307066933920337, 1], [0.0, 0], [0.0008727316122359061, 2], [0.0, 0], [0.003365936318897186, 1], [0.01590447095443962, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.2900844630219365, 6], [0.0038454539771023643, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0091559259863782, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0006209693277682771, 2], [0.026729890167669964, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.4718886768467089, 3], [0.042593075616238776, 3], [0.0, 0], [0.0, 0], [0.011229184760105395, 1], [0.0034889216796004916, 1], [0.0018743200099203372, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.023877171568796936, 2]], [[0.0002558945545642514, 1], [0.0037662157571241293, 2], [0.004838598115262651, 2], [0.0, 0], [0.0020303103699456622, 1], [0.0009047716713435908, 2], [0.016213679850578182, 1], [0.0, 0], [0.0005068528497403368, 1], [0.08736866279659908, 2], [0.0, 0], [0.0, 0], [0.0012745001135281444, 4], [0.0, 0], [0.0001062938880211325, 1], [0.007456524437080212, 1], [0.021037604802607315, 1], [0.0016074854960827561, 1], [0.002146786056665603, 1], [0.01775732281389357, 2], [0.010866691177275423, 2], [0.007745670840184877, 1], [0.004776586153394732, 1], [0.005185176009655351, 1], [0.004930495213208967, 1], [0.02723787183709971, 2], [0.011706490005942764, 1], [0.02319820692310701, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.11552221933479846, 1], [0.006996280124642019, 2], [6.724049879571804e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.03628589336904135, 1], [0.02917860775373198, 2], [0.09809434080724236, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.005084969232453488, 1], [0.000740428082224092, 1], [0.0, 0]], [[0.012039549891906105, 5], [0.021938153840811013, 8], [0.008573758626120177, 17], [0.01660507431161959, 6], [0.005936141035860701, 5], [0.04502496817129535, 10], [0.04862814040363205, 6], [0.0032021370627407673, 3], [0.0009667834919116716, 2], [0.0923948474026105, 6], [0.07738319823762901, 6], [0.013496667205177726, 4], [0.001954321048194534, 16], [0.00374718245975882, 7], [0.007341520143592441, 5], [0.07588333103657484, 6], [0.002633157143183454, 3], [0.0394439895014554, 8], [0.0013421813096507163, 7], [0.0013186388740062237, 3], [0.06713139020680083, 14], [0.005867855872510502, 14], [0.02810457337666753, 4], [0.06499320980489846, 4], [0.0, 0], [0.006982289171499968, 14], [0.032040426897381985, 7], [0.0004742035742458539, 1], [0.0, 0], [0.0, 0], [0.11181300878614284, 3], [0.007518174366724312, 1], [0.03065072152245024, 4], [0.040647875916527416, 4], [0.008160285838503175, 2], [0.0008684006228394368, 1], [0.010193237808130324, 5], [0.0, 0], [0.00913008553199762, 2], [0.007058302206116583, 3], [0.004592603650686684, 3], [0.0006948961135168336, 1], [0.0, 0], [0.0010365919751845986, 1], [0.0, 0], [0.006757456113367383, 2], [0.004486693073390908, 5], [0.00885640746755198, 3], [0.010823723347203707, 6], [0.0061459705270995695, 4], [0.0017596709750945549, 2]], [[0.0, 0], [0.01013103728660599, 4], [0.0002847910896838832, 2], [0.0, 0], [0.0013902935569226813, 3], [0.0013746331086621167, 2], [0.0024198162966041986, 1], [0.2206046640118479, 3], [0.0, 0], [0.0004976471158514114, 1], [0.0028556407463873495, 3], [0.20446832234099369, 2], [5.288845065284676e-05, 1], [0.0, 0], [0.00831411244034582, 3], [0.02263423813462879, 4], [0.0030098559909014257, 1], [0.1184825071395718, 4], [0.00250085655322227, 1], [0.0, 0], [0.014056274706558613, 5], [0.0028374025704980504, 3], [0.06970536177123243, 5], [0.0, 0], [0.0, 0], [0.023258059110533098, 7], [0.04273975311893447, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.04691871300191627, 1], [0.0034573082142522996, 1], [0.06282766257952511, 1], [0.0, 0], [0.011181062225647666, 1], [0.0, 0], [0.19971831546633403, 6], [0.0, 0], [0.010972946844513025, 1], [0.0, 0], [0.03861277156013682, 3], [0.2763816957921619, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.013288593225196545, 1], [8.890316755501702e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.004471975459475065, 4], [0.002012994288346881, 4], [0.01179424154350749, 4], [0.10058777144849206, 12], [0.0009569405446928176, 5], [0.0003471611406545994, 1], [0.05023485656661606, 3], [0.010551933262598385, 8], [0.0021728259009455952, 2], [0.11479840409149637, 4], [0.0027007049424672726, 3], [0.023868630977427793, 5], [0.0012143662773025352, 5], [0.001320596145161435, 3], [0.0004562394331439813, 3], [0.027480232030100176, 7], [0.0, 0], [0.035122303350702676, 5], [0.000942967328426796, 2], [0.001570798931274175, 2], [0.046537216522059985, 12], [0.0007232606689347171, 8], [0.03814754913846008, 3], [0.0022548554063286054, 5], [0.0014722610186564157, 1], [0.006671266948047483, 10], [0.003836990455980852, 2], [0.0, 0], [0.026577406483921144, 2], [0.0, 0], [7.24733600055891e-05, 1], [0.0, 0], [0.0, 0], [0.005450614133935647, 2], [0.0010419016044690384, 1], [0.00099970347115173, 2], [0.004430062064844878, 5], [0.0, 0], [0.08777171122596576, 3], [0.00014851982524628218, 1], [0.139794562844382, 10], [0.19234023216991816, 11], [0.0, 0], [0.009329147593375622, 1], [0.006746948563460911, 2], [0.15000239728413484, 6], [0.0049487448254308414, 6], [0.005245593903488821, 1], [0.006449461934100058, 2], [0.0, 0], [0.001926068017535274, 2]], [[0.010985378972204581, 2], [0.008996552079656417, 6], [0.017620909294597684, 5], [0.00019567305898329987, 1], [0.002164083439569494, 2], [0.001635101911238747, 4], [0.011631278798261917, 2], [0.00014047871876193423, 1], [0.00014091672879969853, 2], [0.1560236671639541, 3], [0.001449904147315652, 4], [0.0055093826588580655, 2], [0.0025685912270088417, 7], [0.0, 0], [0.00019784641785245696, 2], [0.0, 0], [0.0075818783035034466, 3], [0.011313063416905645, 5], [0.00195599535029394, 3], [0.006525467643040853, 3], [0.005831284496384196, 6], [0.009352136909604108, 8], [0.03400784817675158, 1], [8.031636598331579e-05, 1], [0.0, 0], [0.010658722882064334, 8], [0.017254572431947446, 2], [0.0034132214580103186, 1], [0.0006186596269856656, 1], [0.0, 0], [0.00017532898012797806, 1], [0.028057976475816527, 3], [0.18298515113590005, 1], [0.0, 0], [0.0, 0], [0.0002750836306122825, 2], [0.0030588636421684224, 2], [0.0, 0], [0.0016515101053352153, 1], [0.0008783199758113326, 1], [0.0, 0], [0.004289467181988204, 2], [0.014432913287757396, 1], [0.0, 0], [0.0, 0], [0.004717147685116782, 2], [0.007439881791285602, 2], [0.07195349200067416, 2], [0.000610419676554798, 1], [0.0006505398544538589, 1], [0.0, 0]], [[0.0004290065918017826, 1], [0.013765790726582499, 6], [0.030925028740517023, 6], [0.010211056779568328, 4], [0.00021578938171818755, 3], [0.0, 0], [0.007516569808812707, 2], [7.85886729161188e-05, 2], [0.0, 0], [0.03589699556247634, 2], [0.0018763465396724088, 3], [0.0018874165076547965, 3], [0.0005183425824484947, 1], [0.0, 0], [0.0, 0], [0.002324931478272054, 2], [0.0033909967450087754, 1], [0.0008913128813654318, 1], [0.001790864937413503, 2], [4.8872454104999266e-05, 1], [0.016440486602071706, 4], [0.00028881984887685195, 4], [0.010526363394462016, 1], [0.003718781181274716, 3], [0.00047508326390237543, 1], [0.003196560243095554, 6], [0.00023863872771120824, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.004244908270747107, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00017248566058229728, 2], [8.663120532997877e-05, 2], [0.0, 0], [0.020128216175983454, 1], [0.0063388632900432335, 1], [0.1335948334921617, 5], [0.10896573357531308, 4], [0.0, 0], [0.0, 0], [0.0009483737234010956, 1], [0.0029316948141933264, 2], [0.011443106901332269, 2], [0.0, 0], [0.013264970775676597, 4], [0.0, 0], [0.0, 0]], [[0.0002074937099732521, 1], [0.034843717621623624, 9], [0.041147661010310754, 6], [0.010993003206572777, 4], [0.00012619188582526776, 2], [0.0, 0], [0.03390216493877951, 4], [7.524553372197925e-05, 2], [0.005083036171239847, 3], [0.030133027369940477, 2], [0.023140852370487998, 6], [0.001558182294604007, 3], [0.0001508759119699546, 1], [0.005131509649725394, 1], [0.000231309512636805, 1], [0.00454050152642028, 3], [0.034588410056686184, 3], [0.00029438997929285486, 1], [0.0010761824348674892, 2], [0.011510144932338892, 2], [0.008824463856622812, 7], [0.005583759400641984, 8], [0.008762916663411655, 1], [0.002167913716692279, 4], [0.00022977919420606879, 1], [0.015792491859818666, 9], [0.03863530195306905, 1], [0.0, 0], [0.02115326207110791, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.008979729524129907, 2], [9.193491529395065e-05, 1], [3.0046737050693444e-05, 2], [0.0, 0], [0.06325309322778049, 2], [0.0, 0], [0.014960278434636256, 4], [0.0902473966050397, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.0023461220630956133, 2], [0.00020306060444155393, 2], [0.0, 0], [0.002401150639855971, 2], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.012117756421168408, 2], [0.0, 0], [0.00788470495282734, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.7659786346098226, 1], [0.0, 0], [0.0, 0], [0.004507803901787148, 2], [0.7362883237809213, 2], [0.004632194539697224, 1], [0.00041424938461476126, 1], [0.030067070724986572, 2], [0.0, 0], [0.0, 0], [0.39730936680367507, 1], [0.015028674979304425, 2], [0.20659543701873473, 1], [0.024672912346493655, 2], [0.012007237397885501, 4], [0.0, 0], [0.0, 0], [0.03427456690960066, 1], [0.0058631678928586185, 1], [0.14938084337721952, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.014385949149353582, 1], [0.0, 0], [0.024838588884207702, 1], [0.003345461451238428, 1], [0.3919576358194962, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.006039551413882775, 1], [0.005347956851507358, 3], [0.0, 0], [0.04835789814050119, 2], [0.0010994909613434598, 1], [0.0, 0], [0.02658853477929522, 1], [0.002501538735537108, 3], [0.010480036456013704, 1], [0.0, 0], [0.0, 0], [0.00027803106365255733, 1], [0.0005149963928314086, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005403296579406138, 1], [0.010996338830990372, 4], [0.0005062747357036831, 1], [0.0, 0], [0.0, 0], [0.006688218440101164, 1], [0.0029813613742298685, 3], [0.03312053840071832, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.04864418739619806, 1], [0.0, 0], [0.00013540200891183944, 1], [0.0008443708740247092, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.020545899898172643, 2], [0.4133963957082293, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.044836524662023154, 2], [0.01589040619320668, 3], [0.0, 0], [0.02539975252867385, 1], [0.0, 0], [0.0, 0]], [[0.010953596139302978, 1], [0.0019334313823129807, 1], [0.0006177048790320275, 1], [0.014820857367467043, 1], [0.0, 0], [0.0, 0], [0.0013504614870761336, 1], [0.002564063235901018, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0010556237860509096, 2], [0.0, 0], [4.18849056070886e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0027640422015912376, 1], [0.00011425170890430006, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.010235291266563255, 3], [0.04179448259661472, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.08017480973973022, 1], [0.05228214141956909, 1], [0.0, 0], [0.0, 0], [0.0014076333108500219, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.02257788796741835, 1], [0.2753517484581157, 1], [0.0, 0], [0.0, 0], [0.08192508508998966, 1], [0.02736613794378292, 1], [0.013836132051241028, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.04502937834826302, 2]], [[0.057503508698778745, 1], [0.0015331093632153857, 2], [0.001483655432218651, 2], [0.006874051618934027, 1], [0.0005855093003738432, 2], [0.0, 0], [0.0005241915832311679, 1], [0.0, 0], [0.006942319978376799, 1], [0.018382025076138606, 3], [0.0, 0], [0.0, 0], [0.0007989179038523712, 2], [0.0, 0], [0.0, 0], [0.0005540352686081803, 1], [0.0, 0], [6.989414936244981e-05, 1], [0.011456846393619465, 2], [0.0, 0], [0.002376331537689569, 1], [0.0029392619572746717, 4], [0.0, 0], [0.0011611174925083418, 1], [0.0, 0], [0.0065732869273988775, 1], [0.03253240357882198, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.058118461046324406, 3], [0.002170382555221226, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005103153842267682, 1], [0.0, 0], [0.0, 0], [0.008728741202005364, 2], [0.012785981296883343, 3], [0.0, 0], [0.0263120608551314, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.1156909160450248, 2]], [[0.0007233912152412872, 1], [0.0012580914089152589, 3], [0.00011032047016392999, 1], [0.06168674685913129, 4], [0.00015055019162272986, 2], [0.0, 0], [0.003184659119097437, 1], [0.0020091722099825154, 4], [0.0017962502302267805, 2], [0.0, 0], [5.113628338148753e-05, 1], [0.0070510294838861155, 2], [0.00038889546781978524, 3], [0.0, 0], [0.0, 0], [0.0026625999695916807, 1], [0.0, 0], [0.0, 0], [0.0007506295850317899, 1], [0.0005783537960519791, 1], [0.0016963401227724575, 2], [0.0015110020838072743, 3], [0.004462725210174152, 1], [0.0, 0], [0.0008010857319738473, 1], [0.011835966994824436, 4], [0.009554459320249023, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.009694634386516838, 1], [0.0, 0], [0.012861495765441268, 2], [0.00016828047395716215, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.02710959014247302, 4], [0.111686342156169, 5], [0.0, 0], [0.0, 0], [0.01788290461820183, 1], [0.008119548802052746, 2], [0.004611449055310383, 4], [0.0, 0], [0.0030422719485937574, 1], [0.0, 0], [0.005900272326007013, 1]], [[0.0007503182959103643, 1], [0.0013297072861884634, 3], [0.00011556041129184612, 1], [0.06706426521080071, 4], [0.00015634792911994343, 2], [0.0, 0], [0.0033032029598252318, 1], [0.002027055730037674, 4], [0.002338231590408906, 2], [0.0, 0], [5.356512649665256e-05, 1], [0.007031897341504103, 2], [0.00047418621559588764, 3], [0.0, 0], [0.0, 0], [0.0026431398208306683, 1], [0.0, 0], [0.0, 0], [0.0008994854842887313, 1], [0.000637096776125852, 1], [0.00217039608196528, 2], [0.0015053737909669187, 3], [0.004674693282252088, 1], [0.0, 0], [0.0008309048667286306, 1], [0.01216087952207794, 4], [0.009763837420722121, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.009796103670808015, 1], [0.0, 0], [0.012796331338042252, 2], [0.00017004178836798323, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.02876879665259968, 4], [0.12060607646914188, 5], [0.0, 0], [0.0, 0], [0.021429228799063692, 1], [0.010566077572332059, 2], [0.005425116563030496, 4], [0.0, 0], [0.003155515654697833, 1], [0.0, 0], [0.007070343903869778, 1]], [[0.0, 0], [0.007115942642262763, 2], [0.00013377330152128595, 1], [0.0002980518549826849, 1], [0.0, 0], [0.0007938066670122346, 1], [0.0, 0], [0.0, 0], [0.0005155414028570683, 1], [0.0, 0], [0.0006850622626932818, 1], [0.00012096058603059002, 1], [2.5984848572795223e-05, 1], [0.0, 0], [0.0, 0], [8.812955742471066e-05, 1], [0.0003213727949153665, 1], [0.019866213610362584, 1], [0.0, 0], [0.0, 0], [0.005620180253168434, 1], [0.0008165564787083865, 2], [0.0, 0], [7.489509455351093e-05, 1], [0.0, 0], [0.0031149665594888665, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.033389632505563135, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0014098824547108108, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0003814637736206547, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.017307529420997596, 4], [0.005191330591511903, 2], [0.00038528914431376567, 1], [0.00039129284195281206, 2], [0.0, 0], [0.0077545355389925606, 1], [0.00031343640837393097, 3], [0.0, 0], [0.0, 0], [0.004878146608645096, 3], [0.0016011248184702575, 1], [0.0007687405036168452, 1], [3.559400655615445e-05, 1], [0.0, 0], [0.00017310812181040773, 1], [0.00616681812910434, 1], [0.0, 0], [0.0, 0], [0.00024639531698874233, 1], [0.0014839342166437235, 1], [0.18301808160264693, 6], [0.0, 0], [0.0, 0], [0.0, 0], [0.01201573028787432, 5], [0.0, 0], [0.009963048894896305, 1], [0.0, 0], [0.0, 0], [0.0006472344667835647, 2], [0.0, 0], [0.010921304951206903, 4], [0.0, 0], [0.05584475772574985, 1], [0.0001654438227567582, 1], [0.043943755023556144, 2], [0.0, 0], [0.0, 0], [0.009312637275132105, 1], [0.007794655023370331, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.006967598364747662, 1], [0.0020989370163077524, 1], [0.00387026133550848, 1], [0.0, 0], [0.0, 0]], [[0.009828452243795012, 1], [0.0010855856325277448, 2], [0.001661149316761309, 3], [0.006256408462363371, 1], [0.0004541729829891917, 3], [0.0, 0], [0.04161804415049348, 3], [0.004021488179535026, 4], [0.0016459215531332086, 3], [0.00511751749697667, 1], [0.0022051834254951303, 5], [0.0019664729978577417, 2], [0.00023848977076343548, 5], [0.0, 0], [1.6342509412011103e-05, 2], [0.0010947968839890418, 1], [0.0, 0], [0.0009007067538274841, 2], [0.0, 0], [0.0, 0], [0.0023933097544930754, 5], [0.0025252006574348032, 4], [0.06644845296195662, 2], [0.00012290897546367676, 1], [0.0, 0], [0.0025676890016433523, 7], [0.044773761453828866, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0011269520534404312, 1], [0.02006783372129999, 1], [0.031183094742027965, 2], [0.009756879540693661, 3], [0.0, 0], [9.42408284022833e-05, 1], [0.0001953841402343146, 3], [0.0, 0], [0.10628157029035556, 2], [0.0, 0], [0.008042849936164095, 2], [0.07729497885498363, 7], [0.0, 0], [0.0, 0], [0.031599984742663394, 1], [0.007202318468066807, 4], [0.0004595302770060146, 2], [0.07120835540695948, 1], [0.00925005328208239, 2], [0.0, 0], [0.00029093236674802294, 1]], [[0.0, 0], [0.022944344344332363, 3], [0.00500255728878626, 2], [0.0, 0], [0.0, 0], [0.0019382565470864018, 2], [0.030840353654328037, 1], [8.07019969556197e-05, 1], [0.0005488564180497798, 1], [0.0, 0], [0.0008016110857773929, 1], [0.0, 0], [0.0009041418585532126, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0027542838757540927, 1], [0.0, 0], [5.661883392843003e-05, 1], [0.0004370197249147413, 1], [0.0047922856246447754, 2], [0.004113206327384995, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.00760917676792757, 4], [0.01121238408590694, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.03538498571033785, 2], [0.0, 0], [0.0, 0], [9.930482111591961e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.04580352294098978, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0006818916028644646, 1], [0.002672097532612453, 1], [0.0, 0], [0.00033413921917724364, 1], [0.0, 0], [0.027545583206275336, 1]], [[0.0, 0], [0.002001130976927782, 2], [0.0032277700189314073, 2], [0.008662099096615562, 1], [0.0, 0], [0.00010796662277196929, 2], [0.032752214627281395, 2], [0.0, 0], [0.0, 0], [0.2796612168022523, 2], [0.007534311981627352, 5], [0.025245874451626925, 2], [0.0004336018057665335, 1], [0.0012266715842880888, 2], [0.002089872847431274, 1], [0.0010931777297156218, 1], [0.014017428373181888, 3], [0.0053803294663196085, 3], [0.0, 0], [0.004208365276470519, 1], [0.0014521558916574468, 2], [0.00474945588519571, 5], [0.0, 0], [0.0, 0], [0.0, 0], [0.0023742179388011567, 2], [0.021121708813333, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.001975596396362426, 2], [0.37730332574966885, 1], [0.0, 0], [0.02728755478135547, 1], [0.0, 0], [0.0009503579553167648, 1], [0.0, 0], [0.0, 0], [0.000572756859450662, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0012896161703601378, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.015960318286847092, 4], [0.0049575884103091284, 6], [0.0277594461968528, 4], [0.0012251228024669374, 2], [0.0, 0], [0.020465770743489528, 4], [1.0955487712857355e-05, 1], [8.886965194048575e-05, 2], [0.04903336129765753, 1], [0.002069942889807307, 4], [0.0004134896779089046, 2], [0.0010558738659756392, 4], [0.0002744297096401456, 1], [2.7597471291559317e-05, 1], [3.895855926503839e-05, 2], [0.0, 0], [0.0, 0], [0.002755721439629709, 3], [0.01395877808477519, 1], [0.008018712779838892, 2], [0.0025817705264244996, 8], [0.0034670271893934104, 1], [6.0363889853349194e-05, 1], [0.0, 0], [0.019178871310666003, 11], [0.01049200764104758, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.00047325799059694067, 1], [0.006256386001039132, 3], [0.061018185034458126, 4], [0.01035005767714368, 2], [0.0009636878264788643, 1], [0.0022750508103044215, 2], [0.0019467794573731474, 2], [0.0, 0], [0.017540417840439977, 1], [0.009489196329996919, 2], [0.016715089768815757, 4], [0.11145032084318954, 4], [0.0, 0], [0.0, 0], [0.04739313219887775, 1], [0.030687634259658175, 2], [0.005570283761561548, 2], [0.0, 0], [0.0, 0], [0.011298415911050599, 1], [0.036298167376267246, 2]], [[0.0, 0], [0.0, 0], [0.01493840628200526, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.030944089888132166, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.013125867551671909, 1], [0.002153144066547891, 1], [3.785372299383795e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.004878369678256984, 1], [0.0, 0], [0.0, 0], [0.0007540858619506833, 2], [0.0, 0], [0.0010541044187784103, 1], [0.0, 0], [0.002472063689481979, 1], [0.008637095688300888, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00825980121995239, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0028754937415098308, 1], [0.021181699098160686, 1], [0.09054663059420495, 1], [0.0, 0], [0.0, 0], [0.0028613957240377556, 1], [0.055487826026959085, 1], [0.0005301425949976351, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.017008540044147664, 1]], [[0.0, 0], [0.011005489197085081, 8], [0.0007936274693802609, 2], [0.014052333625236781, 2], [0.004596006187810743, 6], [0.0003613223797033264, 2], [0.048957468612045835, 4], [0.44983348547493474, 2], [0.016296180637059537, 2], [0.0006504819469045904, 1], [0.0026970145633044246, 5], [0.42431125511334006, 5], [0.0007367211957025261, 1], [1.6900149793614254e-05, 1], [0.016895261462006178, 3], [0.010063680416788954, 2], [0.01424175433659112, 2], [0.2407157443851822, 4], [0.00024269384542774795, 3], [0.0, 0], [0.018846859796031228, 5], [0.010822659263875172, 11], [0.018382684801430953, 3], [0.0015875236460381427, 1], [0.0, 0], [0.048113092103527044, 10], [0.08851321380696762, 2], [0.0, 0], [0.0003191440112564584, 1], [0.0, 0], [0.00317852528426833, 3], [0.006143960365597694, 1], [0.25938732529089253, 5], [0.02124139603073239, 1], [0.0, 0], [0.0004285815457105995, 2], [0.38821495507557524, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.10157755557812238, 4], [0.007881483820436137, 1], [0.0, 0], [0.0, 0], [0.08846235526188324, 2], [0.0, 0], [0.0001603835591178924, 1], [0.0, 0], [0.005446181463611085, 1], [0.0015569523621075004, 1], [0.0, 0]], [[0.06424786752323823, 4], [0.020903903017074343, 14], [0.12058886671803788, 22], [0.007104435434671961, 1], [0.01121069496381863, 9], [0.003346753893167079, 5], [0.010636983246803332, 7], [0.0007132364863727404, 5], [9.433724360396552e-06, 2], [0.00933637814427655, 1], [0.007300419291790554, 8], [0.0031760676595529464, 4], [0.03174067426590497, 13], [0.0011137095924103019, 2], [0.002970638961711528, 2], [0.0010328467301024139, 3], [0.08420455376450048, 7], [0.0059481450609481365, 7], [0.04162201690293011, 15], [0.003555005421176669, 4], [0.0186874265566443, 15], [0.04564503443349457, 16], [0.08963273264142375, 2], [0.001080099050845971, 3], [0.0002236509013491424, 1], [0.032707146329096624, 18], [0.02259068731035616, 4], [0.0071743786010121284, 3], [0.0006963781403935306, 1], [0.001636350394700897, 1], [0.002292402069473134, 9], [0.0015486255611826545, 2], [0.013978911449364053, 4], [0.0005875540940966676, 1], [0.03369707538181412, 2], [0.000818585332433192, 2], [0.03811604659095969, 12], [0.00805772872563839, 3], [0.0375071956655109, 5], [0.0309035703548094, 1], [0.026775685942618314, 9], [0.021179339940683186, 3], [0.00553258005428717, 1], [0.024401651884761014, 2], [0.0, 0], [0.0, 0], [0.0005571026916907506, 3], [0.13944234105388065, 2], [0.01004462008963704, 5], [0.06508290668274821, 2], [0.0006669031045633148, 1]], [[0.0004130643451683627, 1], [0.006614976175517752, 2], [0.020906498071401287, 2], [0.05092992306397476, 5], [0.0, 0], [0.0, 0], [0.03640595607419235, 1], [0.0001486946538025848, 2], [0.005816839812930056, 2], [0.02711114305043995, 1], [0.006644794474093637, 1], [0.0016924498525175947, 2], [1.4903718707422844e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0006588026135435024, 1], [0.0, 0], [0.008762225426218285, 3], [0.01672517695375521, 3], [1.8490829093263866e-05, 1], [0.0, 0], [0.0020666641556199477, 1], [0.0, 0], [0.0010520036056888443, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.13454024330962452, 2], [0.0, 0], [0.15213549797197434, 5], [0.009497079610185522, 3], [0.0, 0], [0.015944837642196338, 1], [0.0, 0], [0.0012706382076381464, 1], [0.00021270164981270008, 1], [0.0029927024079769464, 1], [0.0, 0], [0.027620859254248595, 1], [0.000602661253367202, 1]], [[0.0, 0], [0.04547101366373214, 6], [0.0036500575709418857, 11], [0.0, 0], [0.0031421287540895106, 8], [0.030778678207191903, 4], [0.00737426545714467, 4], [1.9754953843469467e-05, 1], [0.0, 0], [0.0, 0], [8.549676854375087e-05, 2], [0.00047360752642918363, 1], [0.0006298366808020108, 6], [2.0350428725378214e-05, 1], [0.0010633589517900432, 6], [0.0011007114028643904, 1], [0.008153147067507515, 5], [0.005167058534207617, 7], [0.0005047160361264017, 4], [0.0, 0], [0.21701029457716275, 14], [0.03273271920108009, 15], [0.0040491427104808065, 2], [0.0003444052855822994, 1], [0.0018433726619519646, 2], [0.03251105315661549, 11], [0.02457121290342358, 3], [0.06825376275669572, 2], [0.0, 0], [0.0, 0], [0.0008977559582420537, 3], [0.0, 0], [0.026185093421112776, 7], [0.055664990291089476, 4], [0.011102265687419345, 3], [0.0014768911133222207, 1], [0.002257323013673342, 3], [0.000507728788742004, 1], [0.0, 0], [0.005891516484451482, 2], [0.0008269293053987872, 1], [0.0, 0], [0.07921494137748145, 3], [0.1555080166548933, 2], [0.011971100150419111, 2], [0.0007175843294544325, 1], [0.0023691510162279555, 2], [0.1957440269836893, 3], [0.0024444588399581504, 3], [0.0729005850693225, 2], [0.0, 0]], [[0.051123351232669846, 2], [0.0021221173284139447, 6], [0.00020426194442696934, 2], [0.12681528279892415, 4], [0.00032593681977033964, 2], [0.023572561165580465, 2], [0.017914568999481965, 3], [0.022075196794605626, 4], [0.0020387434241029164, 4], [0.027406548619501977, 3], [0.002993329585473289, 3], [0.021711627121577943, 4], [0.0027927247276586967, 1], [0.007493537532334375, 1], [0.0015283894254277046, 4], [0.006441157516582439, 1], [0.005148547352420035, 1], [0.02017019260933269, 2], [0.0025794197978401584, 2], [0.0014187963419765622, 1], [0.007825555946760982, 4], [0.0012421921561389787, 6], [0.0027182321290108793, 1], [0.003917959377708028, 2], [0.00041361699306878834, 1], [0.001087975795514371, 3], [0.0, 0], [0.0, 0], [0.001379257707986851, 1], [0.0, 0], [0.0, 0], [0.001041694883746403, 1], [0.0005290755561981317, 2], [0.0, 0], [0.01236527566660372, 2], [0.0007038903569701297, 1], [0.03077803207615456, 2], [0.0, 0], [0.10772297470419345, 1], [0.08312683678175047, 1], [0.017753873130467508, 3], [0.021724779355659436, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.011701378254680787, 2], [0.0031871163598336553, 1], [0.0, 0], [0.0007464762948266312, 1], [0.0, 0]], [[0.007252751927171963, 7], [0.20226312595456533, 16], [0.02283399202834286, 26], [0.00040291894394019147, 2], [5.376220190244028e-05, 3], [0.002785739037391026, 10], [0.021680842291465423, 5], [0.0019729312027821277, 2], [0.00023354316071761604, 1], [0.00017604161194688777, 1], [4.475789977460442e-05, 2], [0.0, 0], [0.019248307961023253, 26], [0.00026480404581342174, 2], [0.0008605332385139851, 3], [0.002457494327739591, 4], [0.03349941095406491, 7], [0.007551092639718732, 7], [0.058073633733907754, 21], [0.0008139441714790572, 3], [0.007174183936987538, 15], [0.0008684959144509719, 8], [0.0086677909822679, 4], [0.00011336644276226922, 1], [0.00654610444793698, 6], [0.009882717784448204, 16], [0.013560658157531777, 3], [0.004771932683377335, 1], [0.0, 0], [0.004544740542835159, 2], [0.00017540672895007066, 2], [0.012891092842565746, 6], [0.02977906561225541, 10], [0.0015567364551093389, 2], [0.0, 0], [0.00044989591097832594, 2], [7.040013691478024e-05, 1], [0.005034324611688656, 2], [0.01614041793640001, 4], [0.0075106230478196355, 2], [0.0012595012256484026, 2], [0.0, 0], [0.02164287617070409, 3], [0.0016360858421756981, 2], [0.0160781947814982, 2], [0.0, 0], [0.007554618384210542, 8], [0.18490605424898302, 12], [0.04580072484334561, 14], [0.027938331958193712, 7], [0.0019099189374603435, 2]], [[0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.00013282652182938152, 1], [0.0038882156422319855, 3], [0.0, 0], [0.07602561329792328, 4], [0.006926334180533619, 2], [0.0, 0], [0.028250051903206886, 2], [7.4847709511920885e-06, 1], [0.10043288083419553, 1], [0.00402206105818938, 1], [0.0006930708463425661, 1], [0.0006757571109655629, 2], [0.004555295725082539, 1], [0.0, 0], [0.0, 0], [0.029384165582779828, 2], [0.010546691431303358, 2], [0.0, 0], [8.013206821022177e-05, 1], [0.012702878009991576, 2], [0.023394359895945408, 3], [0.013094930456341407, 3], [0.011509046321150001, 1], [0.00872596213721401, 1], [0.0001470925126312721, 1], [0.01789944611635905, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.01005595686548823, 1], [0.0, 0], [0.014447752071158452, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.030449011836503705, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.029701677669504153, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0010891714108506034, 2], [0.0, 0], [0.0005586111537945869, 1], [0.0, 0], [0.0, 0]], [[0.021732542589909944, 10], [0.04671445129480422, 23], [0.021567908229527408, 22], [0.06980452035092773, 14], [0.005596731267557492, 14], [0.004190560364255488, 6], [0.0663905984076346, 11], [0.06434612607727999, 11], [0.0009591559452965182, 3], [0.0041270021961125345, 1], [0.0029325782642557123, 13], [0.09775626319234006, 10], [0.00900967259373294, 16], [0.0019609583032118975, 4], [0.0027390551787082806, 8], [0.014374252770069498, 10], [0.020647509657484013, 8], [0.0939406116181356, 13], [0.002370049572628463, 8], [0.019235875215883897, 8], [0.050043401249888285, 26], [0.021180871780600408, 26], [0.03432108568899511, 7], [0.002353404256682476, 9], [0.0010513722885240738, 1], [0.033566263901456866, 36], [0.061810350417633116, 9], [0.0038090179752658846, 3], [0.0033195552030709607, 2], [0.006718291650673202, 2], [0.0005349482875745516, 9], [0.051783646149105446, 7], [0.01623034432684683, 5], [0.008038383114944854, 7], [0.008453182931766693, 4], [0.01019797797758763, 8], [0.11198021576505003, 15], [0.0, 0], [0.38945132482337325, 11], [0.0135313567872121, 4], [0.06706283921958547, 18], [0.2662702767160569, 17], [0.010423981772454073, 3], [0.0030845387732268367, 3], [0.001971442545541299, 2], [0.07657101620621384, 7], [0.008944122128313943, 11], [0.02281632922732434, 2], [0.22889204773489977, 5], [0.014324396491611945, 4], [0.01601135887815964, 3]], [[0.0, 0], [0.014211248648716522, 3], [0.001651238607484825, 4], [0.010807098435713756, 1], [0.002225674574471203, 2], [0.00020083544331017623, 1], [0.04866097679730533, 5], [0.0, 0], [0.00015656761369905686, 2], [0.0026098978383898162, 1], [0.0028842539958902273, 4], [0.0006260092566108441, 1], [0.0007710860913793732, 2], [0.000134653703331181, 2], [0.0, 0], [0.0, 0], [0.001515955614591439, 1], [0.005026211019805321, 1], [0.0015466935043903771, 2], [0.0007917033337272123, 1], [0.00024403268635758276, 1], [0.0030914081545489543, 6], [0.0, 0], [5.877065713724656e-05, 1], [0.0, 0], [0.002559852218716776, 4], [0.003574525533478039, 2], [0.0, 0], [0.0035218423527515422, 1], [0.0, 0], [0.0, 0], [0.008447676146961977, 1], [0.0, 0], [0.0, 0], [0.0028523846338615387, 1], [0.0018250094316791356, 2], [0.00022769165879169817, 1], [0.0, 0], [0.012368548026599124, 1], [0.007053606997323536, 2], [0.012137597184523717, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.031240789906794002, 3], [0.012018284695277347, 2], [0.00035588426416184533, 1], [0.0, 0], [0.0, 0], [0.01957420767159474, 1], [0.0, 0]], [[0.0, 0], [0.0146057236407332, 4], [0.0015622422622464554, 5], [0.011447424772900044, 1], [0.0022994474540647945, 3], [0.00018626879294390413, 1], [0.047729809896788745, 7], [1.2612586811973505e-05, 1], [0.0006409131067856065, 3], [0.00244167472827422, 1], [0.0028680241647524984, 6], [0.0008802377688030362, 2], [0.0006639053483983679, 3], [0.0032740248242381508, 3], [0.0001424970675544237, 1], [0.0, 0], [0.0017611421786359973, 2], [0.0046616585414883715, 1], [0.001502647417792235, 3], [0.0006164034919724, 1], [0.0004409866598729618, 2], [0.0040677116691759194, 9], [0.0, 0], [0.0011016007915700678, 2], [0.0, 0], [0.0028996767393175524, 6], [0.00331477301801309, 3], [0.0, 0], [0.003730513387562561, 1], [0.0, 0], [0.0, 0], [0.00783496385468873, 1], [0.0008750024529881197, 1], [0.0, 0], [0.007530346500884885, 4], [0.0019460341482151057, 2], [0.00024335573229832547, 1], [0.0, 0], [0.013182964920142145, 1], [0.007560940105439927, 2], [0.012574295748733089, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.029467304844970524, 3], [0.012066600241069357, 2], [0.00045216707970195376, 2], [0.0, 0], [0.0, 0], [0.019194988995327678, 1], [0.0, 0]], [[0.005453702637906522, 6], [0.012191744969882828, 4], [0.05118166674888001, 8], [0.0381039382950253, 11], [0.0003727651695086759, 2], [0.0033077324373161562, 4], [0.026111941644879014, 5], [0.8072997046898676, 5], [0.003671339214492924, 3], [0.023116242905965718, 2], [0.005703313849491391, 5], [0.7523284529176055, 4], [0.0005543577838036827, 8], [4.5294778240512246e-05, 1], [0.029693957381589225, 3], [0.006804892937776879, 4], [0.0, 0], [0.42066129038267897, 4], [0.0006369400514616823, 2], [0.004119572666855175, 2], [0.02183624633445071, 6], [0.0018413173256027308, 6], [0.02021291696434987, 5], [0.0013371169824205739, 4], [0.002505138053825267, 3], [0.012430752667895369, 9], [0.16614009139106203, 3], [0.0010836095123930823, 1], [0.0022863111543336007, 1], [0.0, 0], [0.0, 0], [0.008625475858316906, 3], [0.0025833027680019277, 1], [0.0019476940818506851, 2], [0.00021691075363469405, 1], [0.0, 0], [0.41284063372275814, 3], [0.0, 0], [0.07538847524935363, 5], [0.0, 0], [0.11177385930600119, 9], [0.01063633043659214, 4], [0.0, 0], [0.007363831098785507, 1], [0.0, 0], [0.022803548285315722, 1], [0.002004558904201176, 4], [0.008240076277753512, 3], [0.00839587768649379, 2], [0.014511777981557393, 2], [0.002169006491973243, 1]], [[0.0005584048914704019, 2], [0.00029159629435369667, 2], [0.10806965464897753, 6], [0.00025887279854583834, 2], [0.0007055687820029476, 3], [0.00013651054590681317, 1], [0.0006932940568314614, 1], [0.0012282987280204613, 2], [0.0033056826995356134, 3], [0.13080677799907137, 2], [0.0002809110395802932, 2], [0.010474512177921088, 2], [0.00021063442714781437, 3], [0.0003977208476516477, 1], [5.330484568017677e-05, 1], [0.01596583044879179, 5], [0.00025263167070487024, 1], [0.005108656355841816, 3], [0.0002641119163930245, 1], [0.002661402220417495, 2], [0.01514987947322576, 9], [0.008396031187295407, 5], [0.04122112978045726, 3], [0.0008144837316935414, 3], [0.0, 0], [0.013176859845118263, 6], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00025200291005162084, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.014539373917355745, 1], [0.016565423233230805, 7], [0.0, 0], [0.011182077082830205, 1], [0.0, 0], [0.08128586196986999, 5], [0.2476053285198535, 7], [0.0, 0], [0.0007221992702014189, 2], [0.0, 0], [0.07345266080501772, 4], [0.005498512146816902, 2], [0.0, 0], [0.022481303951291453, 2], [0.0006703630951002497, 1], [0.0019488108538926246, 1]], [[0.0, 0], [0.0011845617629998434, 2], [0.011449512305967309, 3], [0.0, 0], [0.016671498001322102, 3], [0.0035827792656794766, 1], [0.0, 0], [9.453375270196757e-05, 2], [0.001808595203866631, 1], [0.0, 0], [0.0014939489312738924, 2], [0.0017494949622879727, 1], [0.0003713275692126145, 2], [7.203604647709955e-05, 1], [0.0, 0], [0.0, 0], [0.020477373913460124, 1], [0.012708735630547243, 2], [0.00012019911677084337, 1], [0.007273325986188207, 1], [0.011555337053229909, 3], [0.0011553958014820502, 1], [0.10409431537304571, 1], [0.0, 0], [0.0, 0], [0.0009802490780645074, 2], [0.08241538908331703, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.00021721593597307984, 1], [0.0, 0], [0.004524871834116005, 2], [0.0018208977099643338, 1], [0.0, 0], [0.0, 0], [0.02200550830496438, 3], [0.0, 0], [0.12742747500483237, 1], [0.0, 0], [0.0, 0], [0.11223060075207103, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00015376793107588744, 1], [0.004247881570193916, 1], [0.0018670271019009665, 1], [0.004202519251473414, 1], [0.0, 0]], [[0.018151939454740747, 7], [0.02575652904357142, 23], [0.008924147769665663, 25], [0.04554434147617355, 13], [0.013359763852970335, 20], [0.0031464075180387377, 5], [0.023716024563336973, 15], [0.00476994992606261, 11], [0.007074853666542734, 11], [0.003114353667467558, 2], [0.03791461579182642, 18], [0.015462596840655525, 9], [0.0024151689980960738, 14], [0.002521627002581894, 6], [0.0029647094651718228, 9], [0.03219908250928066, 12], [0.06882876872832794, 7], [0.10193384840053417, 15], [0.0004335517251296061, 4], [0.0659692348863174, 7], [0.0374590683281053, 24], [0.05557234966126342, 41], [0.07792912811868735, 5], [0.003936596441878022, 7], [0.0001291104913616618, 1], [0.0747178391195486, 36], [0.046757300455027836, 9], [0.02051824518553413, 4], [0.005036721830709159, 1], [0.009633784757970257, 1], [0.09496750784008315, 11], [0.009158698448719518, 4], [0.08215159107759999, 11], [0.008329994613678457, 5], [0.03207689621001859, 9], [0.023513663769454962, 10], [0.1078276374101022, 24], [0.0019425324271809964, 1], [0.05993301137350942, 7], [0.020475010980920423, 4], [0.10789508613225383, 32], [0.13077950193857427, 15], [0.0044503486437678045, 1], [0.00764716427094145, 5], [0.020523970643457193, 3], [0.04435881594627695, 4], [0.0025774701344699166, 10], [0.01369439126370433, 3], [0.0023394052854439837, 4], [0.002553101024259591, 2], [0.0022893741448657525, 3]], [[0.00023945336429338312, 1], [0.013223128617599052, 10], [0.07664357588790714, 6], [0.039564793820992684, 3], [0.04989164467275982, 6], [0.0005071179540301217, 3], [0.0613357118561707, 6], [0.0005155284570655862, 4], [0.0032151104568820775, 5], [0.06573050329421515, 6], [0.011991118917492815, 9], [0.00039076567427703054, 2], [0.008750200265535253, 9], [0.012099559522303216, 3], [0.001004769657269058, 2], [0.012409381598315913, 4], [0.024571219901713983, 7], [0.009208628623889398, 4], [0.0019591837647267786, 3], [0.00023616857851329728, 1], [0.005093343005922586, 7], [0.12809979917394265, 14], [0.05343967120770042, 5], [0.000626811750203477, 2], [0.0, 0], [0.05115087793755805, 6], [0.005840761403913634, 3], [0.000278761917054275, 1], [0.0021151180567973386, 2], [0.0, 0], [0.01479697149107681, 3], [0.0027493139075688484, 1], [0.0006251294621015036, 2], [0.0, 0], [0.08127740360237759, 4], [0.21759028714740403, 4], [0.06998005323914983, 4], [0.0, 0], [0.1552679718795478, 2], [0.00371430402291211, 1], [0.11002022226353929, 5], [0.030287125494588313, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.002851353862434889, 3], [0.0, 0], [0.008386318973810411, 4], [0.0, 0], [0.0, 0]], [[0.012494068062117782, 9], [0.026933974561003528, 22], [0.010445095981262432, 27], [0.04095705215760573, 8], [0.012988458776870127, 17], [0.061285197294993043, 15], [0.008759379194302343, 9], [0.0020967853441289912, 13], [0.003471433438904635, 5], [0.05996266968593371, 9], [0.013836609560948015, 11], [0.008233404165114696, 9], [0.002990488758757554, 20], [0.01527726794903304, 15], [0.19390172961614233, 14], [0.007197534153324885, 11], [0.010246687148040072, 5], [0.015179167907177193, 16], [0.008704309902447, 12], [0.0136592204296811, 5], [0.022036374861296597, 28], [0.02331805168399166, 30], [0.018678870847398478, 9], [0.016128342400405088, 8], [0.008406327937721832, 5], [0.043092643039390165, 26], [0.006410364254636472, 6], [0.0013136414710267317, 1], [0.0, 0], [0.0069045010930765234, 2], [0.015397044354448317, 7], [0.004182966143688893, 4], [0.031247850109451736, 8], [0.03408902080079902, 4], [0.006755416113130177, 2], [0.00694924939353844, 4], [0.020486426508056172, 14], [0.024671788239558207, 5], [0.007261647765799795, 4], [0.002517341878159388, 3], [0.04005823444220228, 15], [0.056710948972216804, 9], [0.0021580912457113913, 2], [0.007480123306280798, 4], [0.003078430153581463, 2], [0.002500837093358269, 3], [0.012101562863750418, 8], [0.044601404447456125, 6], [0.005056393418647934, 7], [0.0035644394775481204, 3], [0.0005047984880627057, 1]], [[0.0026808542972285676, 3], [0.03410943183411846, 5], [0.001984749788441566, 5], [0.003753826468020809, 1], [0.001306011798689322, 2], [0.0006641532149967461, 2], [0.005779348304102771, 2], [0.0, 0], [0.0028246702891425654, 2], [0.0, 0], [0.0338767299892078, 1], [0.0, 0], [0.0004347086844221392, 2], [0.0, 0], [0.00012099131175388864, 1], [0.005310705098895297, 3], [0.0019041896484552838, 1], [0.01932313453573608, 1], [0.005367418517085504, 3], [0.004070902240873809, 1], [0.039711120026934235, 6], [0.002871817457279865, 4], [0.0, 0], [0.00164823026360636, 1], [0.0007120564498373116, 1], [0.02256004893119142, 5], [0.07975748952022454, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.00189945041871448, 1], [0.002991355707230759, 2], [0.250289437371128, 3], [0.0009027288007995509, 2], [0.0, 0], [0.0, 0], [0.012770480646258943, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.004990813937265361, 2], [0.03125984124587152, 3], [0.0, 0], [0.00925994690921941, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00016685804081265578, 1], [0.013355147585029247, 1], [0.009190886430631017, 2]], [[0.0, 0], [0.002531286383730255, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0033569220068700276, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.04660497958358588, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.06844880759579586, 1], [0.0, 0], [0.0, 0], [0.0011881415352850266, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.36049592345735404, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00578024315754847, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.011090923121258941, 6], [0.0036994215962472274, 8], [0.00242345440006273, 5], [0.00046149261088049867, 2], [0.00013679749118239906, 1], [0.003393892059285051, 1], [2.058890442286869e-05, 1], [0.010637433663371975, 3], [0.007424313574801496, 3], [0.041548388838996926, 7], [0.026644885086868655, 2], [0.0017757784320055748, 6], [0.0027876823472445717, 3], [0.0, 0], [0.0015281302567106802, 3], [4.570728077774221e-05, 1], [0.10922532267397397, 1], [0.00041168691741952335, 3], [0.0003288162435629211, 1], [0.02093481361252863, 4], [0.004707819927865561, 8], [0.018569873586497736, 3], [0.0, 0], [0.0, 0], [0.024274712290876962, 8], [0.08657471226503802, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.00023718850614707352, 1], [0.0, 0], [0.0005279459755693341, 2], [0.0007420647096404449, 1], [0.0, 0], [0.007884805866871184, 2], [0.0008175752076912781, 2], [0.006118222556281094, 1], [0.0, 0], [0.11358623846915931, 1], [0.012141237683604717, 1], [0.00893659219589783, 1], [0.003379398972537556, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0014515299400708489, 4], [0.0, 0], [0.0015201555055662174, 1], [0.0, 0], [0.0026987903325556327, 2]], [[0.003596019655007948, 4], [0.02087028774658169, 11], [0.019047249455542935, 12], [0.010880151848934405, 5], [0.01608080899056319, 5], [0.00511649295419355, 2], [0.012211412431562705, 5], [0.00022785002122508826, 3], [0.0007034357762258122, 3], [0.027104296091601535, 4], [0.026830118297091084, 12], [0.007638553882173778, 6], [0.024381734337036012, 12], [0.0051929060341130255, 3], [0.00044329956081542776, 2], [0.004050042619921137, 6], [0.01138858430646506, 6], [0.014480440227546316, 6], [0.00042741148923526796, 4], [0.00030325812865397814, 2], [0.025279533882313476, 9], [0.08696058957913001, 17], [0.036001795325107305, 4], [0.0012673341699237866, 2], [0.0, 0], [0.04064793524380683, 20], [0.04514617460408603, 3], [0.0008350698573458228, 1], [0.0035326684054066233, 2], [0.04985134119318873, 1], [0.0003326490139570838, 1], [0.14836980800858451, 3], [0.04433123566994601, 3], [0.024800421848927022, 2], [0.0001743427158839394, 1], [0.17807908901049269, 5], [0.003584476188598687, 4], [0.0, 0], [0.020934543875752616, 5], [0.01023698498197282, 3], [0.06145120258150514, 11], [0.04050588133229066, 10], [0.003531118911726871, 1], [0.0004730126423597373, 1], [0.0, 0], [0.008071481085331926, 4], [0.02318470273077624, 5], [0.009798436108976278, 3], [0.38696080636127844, 5], [0.05006968691252293, 1], [0.0026091088249107918, 2]], [[0.0, 0], [0.004048242800391954, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0026684930440728873, 1], [0.0, 0], [5.085176992151883e-05, 1], [0.0, 0], [0.0, 0], [0.0003220031106540503, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.028105406090520046, 1], [0.00023644706416747034, 1], [0.0, 0], [0.0013007756460006066, 1], [0.03151654715355784, 1], [0.0, 0], [0.006187637953883899, 1], [0.01480157086400746, 2], [0.0, 0], [0.0, 0], [0.0003909701413896406, 1], [0.0, 0], [0.0028668188279753273, 1], [0.0, 0], [0.0019390911501687112, 1], [0.0, 0], [0.0001960991908545048, 1], [0.11566173860759153, 1], [0.0, 0], [0.028104413549560288, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0004904356300448146, 1], [0.0, 0], [0.08977732909171317, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.13126222394516718, 1], [0.0, 0]], [[0.037762760330840535, 11], [0.14228820913983994, 24], [0.04687521994768446, 30], [0.05480938358499729, 17], [0.01892362420995197, 21], [0.014849389972003371, 12], [0.15526164028147613, 15], [0.040250995670245, 17], [0.004577263850491945, 8], [0.07559724701020037, 5], [0.0019979131679813576, 18], [0.05126111080906671, 12], [0.00995701871315303, 29], [0.012517276202590081, 6], [0.03879558481866783, 11], [0.015888091138912357, 18], [0.030498488938125266, 10], [0.05651893991680837, 11], [0.00227412338050523, 13], [0.032916951478292183, 10], [0.03454335215318808, 28], [0.03260620645811364, 41], [0.03601706368554083, 9], [0.0015040915245854542, 10], [0.008023532389675238, 3], [0.11468737337237485, 51], [0.12471261883184065, 10], [0.0038219722960413463, 3], [0.00863328416840332, 3], [0.01374223449693891, 2], [0.0013931191255833605, 10], [0.08865589167345753, 7], [0.06911476015876478, 9], [0.047092783831110374, 9], [0.018630347374082406, 6], [0.003443104071797166, 6], [0.05076283692137306, 19], [0.0, 0], [0.20797893221962863, 10], [0.03633039403479057, 6], [0.033623283293965765, 17], [0.2726345314977146, 18], [0.05090940314636233, 4], [0.008076553024292167, 4], [0.0032909621859768183, 1], [0.06309242593547228, 8], [0.017872724050055435, 19], [0.08180010034706767, 3], [0.0972861112871985, 9], [0.04582256152889677, 7], [0.0011714288533045873, 1]], [[0.0, 0], [0.004661538088211536, 5], [0.0009099616533072747, 3], [0.0, 0], [0.030254173113852242, 6], [0.0008341444711222604, 1], [0.0024977444123016244, 2], [0.0007503437021557208, 1], [0.003740114853790633, 1], [0.000618739425108312, 1], [0.009870232730068717, 7], [0.011081862723473668, 3], [0.0, 0], [0.024425596455032526, 1], [0.001101015723935975, 1], [0.021743811004473562, 5], [0.2544714861099532, 5], [0.0, 0], [0.000173462015421056, 1], [0.18890385637551502, 2], [0.013341271541938933, 7], [0.030487300358838672, 9], [0.0015003530268257507, 1], [0.008136680251163117, 1], [0.0, 0], [0.36371270405069533, 7], [0.04557172339157089, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.04157182938724413, 2], [0.0, 0], [0.008815768203799859, 2], [0.0, 0], [0.02349787391876541, 3], [0.0009303823857265138, 1], [0.04508619265087996, 4], [0.0, 0], [0.006974094676527584, 1], [0.0, 0], [0.48748010990419266, 4], [0.0022725814645058588, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005564603412519364, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0008789426209340312, 2], [0.03522547133704234, 10], [0.014993852693249857, 14], [0.00034705913617360135, 2], [0.026582553944783222, 10], [0.018139768603581314, 7], [0.0025570914352185115, 2], [0.35658674125062517, 6], [0.0002413514976475267, 1], [0.004567249421046165, 1], [0.00429738052162537, 6], [0.33215476503417535, 3], [0.00492928533474352, 8], [0.004763985895242772, 7], [0.03496294876926487, 7], [0.1623382878576429, 7], [0.0009649433235957398, 2], [0.1917776472128258, 9], [0.0017003761486003792, 3], [0.019985868880179423, 2], [0.04743495518204618, 11], [0.009157515067553482, 10], [0.15811807538527828, 4], [0.20495514559344025, 4], [0.005920680735843609, 4], [0.01033199892219672, 12], [0.08159991966630878, 6], [0.000396914469883853, 1], [0.0, 0], [0.0, 0], [0.0004239774983722288, 3], [0.0, 0], [0.12821917583887932, 4], [0.011527607138102245, 4], [0.0, 0], [0.015507478735850514, 5], [0.18307715911282202, 3], [0.0, 0], [0.004523576177102139, 3], [0.0013879501396295401, 1], [0.004698396762483789, 5], [0.004300505727493056, 2], [0.0, 0], [0.0, 0], [0.0011467953548134104, 1], [0.0012418358285821145, 1], [0.0005547711848060043, 3], [0.07775341436707611, 2], [0.008686271861778491, 3], [0.00024968755475801644, 1], [0.23108904445185505, 1]], [[0.011192717794683327, 3], [0.004550312131840972, 5], [0.01313252263392194, 8], [0.08440394883717181, 7], [0.001622375797961806, 6], [0.0020882546133608256, 2], [0.048214972184740315, 6], [0.0014483860266294906, 5], [0.0018963225488913443, 3], [0.35854283629234446, 10], [0.00279807912753103, 7], [0.07045337858121362, 6], [0.0002896322925286686, 3], [0.0009997307515051143, 2], [0.00016631984262098346, 4], [0.009485199257151689, 8], [0.0015727845213732651, 2], [0.09594572783451091, 8], [6.226010959453561e-05, 1], [0.0014097828760633048, 3], [0.015122342267632833, 9], [0.006325971235864843, 9], [0.005580394049211716, 3], [0.0006819566039214931, 4], [0.0, 0], [0.009320443939373632, 9], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0006672069102698915, 1], [0.0013706827472315538, 1], [0.35998019446636254, 2], [0.0, 0], [0.0003521603031956277, 1], [0.0018157036207462657, 1], [0.20442532188640458, 9], [0.0, 0], [0.046036097677479126, 3], [0.008561920103475566, 2], [0.10740313080178632, 14], [0.15190971055554123, 9], [0.0, 0], [0.008528408476759284, 2], [0.0, 0], [0.014703573606346406, 3], [0.0010768326721117434, 2], [0.0, 0], [0.0020295806727994078, 2], [0.0012183462957612767, 1], [0.003497350443733726, 1]], [[0.0, 0], [0.007670111318655219, 8], [0.006066806423922798, 7], [0.003926020949425184, 4], [0.004547898464938943, 4], [0.0007862635033270332, 2], [0.007639056207037835, 3], [0.031578130744427634, 2], [0.0029769255404335656, 2], [0.011455066208803743, 2], [0.000642189815446223, 5], [0.029488208969884452, 2], [0.0029279453260847837, 5], [0.00067142061813394, 5], [0.0011973789091914953, 2], [0.0009109996620330114, 3], [0.0006677853570162165, 4], [0.035819781633072194, 2], [0.0011689972534316003, 4], [0.0, 0], [0.0034745189480993944, 4], [0.0041347204530659525, 12], [0.0008080867126449023, 1], [0.0005416072623305383, 4], [0.0, 0], [0.0029526619627269304, 8], [0.006820313256794317, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0003493808464177135, 2], [0.03298970688424614, 2], [0.005565989589592999, 4], [0.0, 0], [0.0, 0], [0.0018703452440643439, 1], [0.01709006931634909, 2], [0.0, 0], [0.0029330337444413556, 2], [0.0, 0], [0.0006422870408103824, 1], [0.0032208240128353896, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.01114917686742049, 1], [0.0015429148780648858, 5], [0.003445464285693117, 1], [0.0, 0], [0.0, 0], [0.0007044234672405097, 1]], [[0.0008948481483708412, 1], [0.0, 0], [0.0016441671992496172, 2], [0.012712372125426122, 2], [0.0, 0], [0.002293786351183109, 2], [0.0002801873697757887, 1], [7.116060158377187e-05, 1], [0.09923995074325852, 1], [0.008003167199176625, 3], [0.0007640146965202194, 2], [0.012500258481088438, 4], [0.004502833509370001, 2], [0.00017285221071725127, 1], [0.014190116762997147, 3], [0.08380136073062606, 3], [0.0004601135486992454, 1], [0.015394781091051203, 3], [7.918026881322145e-05, 1], [0.0, 0], [0.09847224476921758, 4], [0.0002844117073828517, 2], [0.011372343205990393, 1], [0.0, 0], [0.00952886801848947, 1], [0.009229395844592803, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.004620673522078109, 1], [0.016635207717138018, 1], [0.0, 0], [0.0, 0], [0.002061538146861421, 1], [0.0, 0], [0.0, 0], [0.0022979404639570937, 1], [0.06520423240099182, 4], [0.00537788521292741, 1], [0.0, 0], [0.0, 0], [0.00843686081549152, 1], [0.0, 0], [0.0010565377328903259, 2], [0.0, 0], [0.0, 0], [0.028572830583093924, 1], [0.0007728821578198916, 1]], [[0.0, 0], [0.0, 0], [0.0010146355479954835, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [8.006185096176379e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00888827195188071, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0018864697724414832, 1], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.021467271319988393, 10], [0.01962273029648474, 5], [0.0018524302423401802, 1], [0.12091917830942694, 6], [0.0, 0], [0.012080506164132537, 4], [0.0, 0], [0.013647123639287804, 3], [0.012730748737835649, 1], [0.002257130592864468, 6], [0.014247436250089533, 4], [2.520449711741065e-05, 1], [0.08796765061498675, 2], [0.003958791455760764, 1], [0.032529080363570106, 2], [0.04320915663029671, 4], [0.04319148874802043, 1], [7.208245743208362e-05, 1], [0.0470225516593757, 1], [0.06903210005990616, 4], [0.022557182948500596, 13], [0.015210124619622203, 2], [0.02925609467357163, 1], [0.0, 0], [0.015314220167190848, 7], [0.027838329490389814, 4], [0.0, 0], [0.0, 0], [0.07772292563258838, 1], [0.0032644828691516564, 2], [0.0, 0], [0.01205192756610701, 3], [0.002983333559346503, 1], [0.022810982921185746, 2], [7.45461935403248e-05, 1], [0.129359085688217, 4], [0.0, 0], [0.030553201089937705, 3], [0.0, 0], [0.00035724217484452527, 2], [0.011706399585016897, 2], [0.0, 0], [0.0, 0], [0.01285954847160982, 2], [0.0, 0], [0.0013394629857464012, 1], [0.0, 0], [0.001981998302130409, 2], [0.028276464994880218, 2], [0.0, 0]], [[0.0, 0], [0.021119110749323423, 13], [0.010036770569791043, 5], [0.003103377476246772, 2], [0.10116080485780692, 8], [1.4416573333610607e-05, 2], [0.024233009581952306, 6], [7.60699876168771e-06, 1], [0.02066269941428902, 4], [0.009003179908149098, 1], [0.002176024050524831, 8], [0.01718389700951872, 5], [8.389779092773471e-05, 2], [0.13300447820659206, 2], [0.005994753630054677, 1], [0.023069685125204503, 3], [0.06739059932733789, 6], [0.02316445817878316, 2], [0.0001293448256232685, 1], [0.025224225562891337, 2], [0.04814437722196376, 6], [0.02811944509584644, 18], [0.016769296468970005, 2], [0.04430217699151655, 1], [0.0, 0], [0.017756921714897365, 11], [0.03844575354473607, 6], [0.0, 0], [0.0, 0], [0.10192628653945639, 1], [0.004846937352232991, 3], [0.0006390654360246338, 2], [0.028280162823741056, 4], [0.007264510454830341, 1], [0.03375720374348239, 2], [0.00014163043935298575, 3], [0.0794867223569704, 5], [0.0, 0], [0.04739094071309142, 4], [0.0, 0], [0.004852882556160774, 3], [0.018382485161790432, 2], [0.0, 0], [0.0, 0], [0.03063147318327079, 3], [0.0, 0], [0.00237714155472202, 2], [0.0, 0], [0.0036658962903199518, 2], [0.01646034280013771, 2], [0.0, 0]], [[0.0, 0], [0.00013038248338730773, 1], [0.0, 0], [0.0, 0], [1.9483336790702138e-05, 1], [0.0, 0], [0.001982823974753255, 1], [0.0, 0], [0.023397326976400457, 1], [0.0, 0], [2.530363200696912e-05, 1], [0.00017998998543819906, 1], [0.0011497611716635699, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.02026945453390914, 1], [2.7828330159665044e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.006652157105834315, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00014382218562969203, 1], [0.0, 0], [0.003655011261827699, 1], [0.0010080958763660755, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.34441403864865894, 1], [0.0, 0], [0.0, 0], [0.0040328058835157905, 1], [0.09802456038350432, 1], [0.016409065610022713, 1], [0.0, 0], [0.00025847044457267675, 1], [0.0, 0], [0.0, 0]], [[0.00016649359139563017, 1], [0.006112802638956496, 3], [0.0005120627420906668, 1], [0.018412001558541613, 2], [0.00020047667687739685, 3], [0.0007647226424528496, 1], [0.05806690381114711, 2], [0.00012394408061630778, 1], [0.0011935434951968191, 3], [0.0, 0], [0.00023735382426978864, 1], [0.0, 0], [0.00022017414333781897, 3], [0.0001853766527940498, 1], [7.958221324194409e-05, 1], [0.0, 0], [0.0, 0], [0.01913834186456271, 1], [0.00016512906733852966, 1], [0.0, 0], [0.002711579607378588, 4], [0.001017377264730451, 3], [0.02655081301761997, 2], [7.014561256988284e-05, 1], [0.00018437553252237878, 1], [0.0012051892921968713, 2], [0.015430339886290573, 2], [0.0, 0], [0.01746894884019201, 1], [0.0, 0], [8.982137876673852e-05, 1], [0.032166280608714334, 1], [0.0, 0], [0.0025272629240063057, 1], [0.0, 0], [0.0, 0], [4.3868493200489395e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.00038434174489512487, 1], [0.03620203626427624, 4], [0.0, 0], [0.006151213524774615, 1], [0.10464360514664141, 1], [0.024287545030310203, 2], [0.002397452582580923, 4], [0.0, 0], [0.0029798614114114204, 2], [0.0, 0], [0.0, 0]], [[0.007069947162951918, 3], [0.023631179686733846, 15], [0.10409074654205534, 15], [0.038583418375011516, 4], [0.00958431843234508, 11], [0.001860035111909061, 3], [0.03235198717377325, 8], [0.01213832946738842, 10], [0.0006897901934662374, 6], [0.0, 0], [0.003814216966707177, 12], [0.01496760133646955, 6], [0.0005214635712082143, 8], [0.00016091073741024054, 3], [0.0004565757082000335, 4], [0.005020566492507324, 8], [0.014016940071325139, 5], [0.025628706154433217, 10], [0.0006554982776589027, 5], [0.016985270678063977, 3], [0.02695709497907234, 16], [0.054318484110369485, 22], [0.01714973890321185, 4], [0.0027647860375378595, 5], [0.0006104212512141734, 1], [0.02614371708263542, 25], [0.017284937450689635, 6], [0.057216918628908514, 3], [0.03372670786828489, 2], [0.0, 0], [0.016107155667551613, 8], [0.017998495648289155, 4], [0.07894598329144668, 5], [0.0029680458007292415, 2], [0.05931580718540932, 5], [0.002323504035022596, 5], [0.02540012215309734, 13], [0.0, 0], [0.08376321552244681, 5], [0.009719461315728964, 3], [0.042538270674325036, 9], [0.09761957296238162, 13], [0.010336179800747365, 1], [0.011552629820553408, 1], [0.013957719374779003, 1], [0.06489991660408412, 6], [0.003063678566078768, 9], [0.0, 0], [0.002809117404072752, 2], [0.0022970403682262964, 1], [0.0, 0]], [[0.001193286012106609, 2], [0.01936797430898275, 8], [0.0034441197452258726, 6], [0.0, 0], [0.018086163217333927, 5], [1.793143228945907e-05, 2], [0.07941309519998878, 5], [0.00044176611362733905, 3], [0.0008029021910761263, 3], [0.009349757426837607, 1], [0.0025846846976324807, 8], [0.010434220636918167, 3], [0.00020352272716469283, 6], [9.991536208458391e-05, 1], [4.289367367311012e-05, 1], [0.005258495127198689, 3], [0.039091806530419534, 5], [0.0027616607011478785, 3], [0.0007650603515614347, 5], [0.044505490456909026, 3], [0.005867297520955751, 8], [0.011348939996113762, 10], [0.008516993855153808, 1], [0.0001954971041452992, 2], [0.0, 0], [0.1331199698383146, 15], [0.009900478969530977, 5], [0.0002663882318495032, 1], [0.0, 0], [0.0022457220795759833, 1], [0.00849491132690702, 5], [0.001326557688270065, 1], [0.13437954154281231, 3], [0.039020158317817466, 3], [0.008123573673867382, 2], [0.0, 0], [0.009926455850189721, 5], [0.0, 0], [0.02324775013838488, 3], [0.0, 0], [0.19249475102807967, 7], [0.10397128863744626, 7], [0.0011264309387660218, 1], [0.0, 0], [0.143443143210623, 1], [0.0032655463064304364, 1], [0.004227909307714359, 8], [0.0, 0], [0.009338265525366395, 2], [0.0, 0], [0.002158129729672938, 2]], [[0.0, 0], [0.0021543087193780486, 2], [6.077940963861979e-05, 1], [0.0029521230134515308, 3], [0.0, 0], [2.2974151578905336e-05, 1], [0.0, 0], [0.0, 0], [4.4726401282559934e-05, 2], [0.0, 0], [0.0022490483704662575, 1], [0.0, 0], [2.003361478248441e-05, 2], [0.0, 0], [0.0, 0], [0.006567179355917623, 1], [0.0, 0], [0.0, 0], [0.002764239406413777, 1], [0.0, 0], [0.013157099739339656, 4], [0.0, 0], [0.04023534998381993, 2], [0.0014235819548785408, 1], [0.0, 0], [0.006087993254884278, 5], [0.0017234101436113512, 1], [0.0, 0], [0.0016549120359283132, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0015002479635207171, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0029100850714670556, 1], [0.0856950549403886, 3], [0.317754989203364, 3], [0.0, 0], [0.0005503222065739007, 1], [0.0, 0], [0.002011172348473433, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0037494412204418254, 2]], [[0.0, 0], [0.00766019079219217, 3], [0.0, 0], [0.00020896377896775157, 1], [0.005455593354382382, 1], [0.0012470360124886162, 1], [0.016218391919714508, 1], [0.001755635460722842, 1], [0.028102786230691647, 2], [0.0011190897214131605, 1], [0.0007445423727580365, 2], [8.911089536693793e-05, 1], [0.0012674558019345583, 1], [0.17459305075844642, 1], [0.009234003443038043, 2], [0.00041629686293586965, 1], [0.00012955991358949828, 1], [0.02779545221065526, 1], [2.2295776367454407e-05, 1], [0.0, 0], [0.018024249776339325, 4], [0.00017192614500305097, 1], [0.06366801066480168, 2], [0.05816061977081733, 1], [0.0, 0], [0.01695245471908158, 2], [0.0, 0], [0.0, 0], [0.000756058700837993, 1], [0.0, 0], [0.0, 0], [0.023171998504464823, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.5411902751987046, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00027592401810164175, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.01811525713328922, 1], [0.006089225919966894, 3], [0.06759779453400001, 6], [0.06988777825145437, 3], [0.0028540222741539646, 3], [0.0, 0], [0.00039661510123109925, 1], [0.03726597092192286, 2], [0.0026560227033250515, 1], [0.08257427254566187, 1], [0.009672593152504473, 4], [0.05769565040724385, 2], [0.0016920069370669661, 3], [0.0011922650738384732, 2], [0.00536548915167646, 2], [0.11500039861447153, 5], [0.0001445238635229664, 1], [0.10075201067722091, 3], [0.0004866026276935994, 1], [0.0023740495327760234, 1], [0.0921168877823896, 10], [0.0025911196354374533, 5], [0.08974113403977184, 3], [0.001113407679586744, 5], [0.0, 0], [0.010123208744345255, 10], [0.025465240911061008, 1], [0.0012759640875960802, 1], [0.0018688739513789399, 1], [0.0, 0], [0.0005074250583750723, 2], [0.0, 0], [0.0012992317145849636, 1], [0.0006000840639912357, 1], [0.0, 0], [0.0, 0], [0.030685963169554187, 4], [0.0, 0], [0.3230268544205335, 1], [0.0, 0], [0.018656879742817347, 6], [0.49374627461317955, 6], [0.0, 0], [0.018854960561092787, 2], [0.0, 0], [0.40579598696856434, 4], [0.0018627277741825033, 1], [0.0, 0], [0.0048937343182633005, 1], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.021467271319988393, 10], [0.01962273029648474, 5], [0.0018524302423401802, 1], [0.12091917830942694, 6], [0.0, 0], [0.012080506164132537, 4], [0.0, 0], [0.013647123639287804, 3], [0.012730748737835649, 1], [0.002257130592864468, 6], [0.014247436250089533, 4], [2.520449711741065e-05, 1], [0.08796765061498675, 2], [0.003958791455760764, 1], [0.032529080363570106, 2], [0.04320915663029671, 4], [0.04319148874802043, 1], [7.208245743208362e-05, 1], [0.0470225516593757, 1], [0.06903210005990616, 4], [0.022557182948500596, 13], [0.015210124619622203, 2], [0.02925609467357163, 1], [0.0, 0], [0.015314220167190848, 7], [0.027838329490389814, 4], [0.0, 0], [0.0, 0], [0.07772292563258838, 1], [0.0032644828691516564, 2], [0.0, 0], [0.01205192756610701, 3], [0.002983333559346503, 1], [0.022810982921185746, 2], [7.45461935403248e-05, 1], [0.129359085688217, 4], [0.0, 0], [0.030553201089937705, 3], [0.0, 0], [0.00035724217484452527, 2], [0.011706399585016897, 2], [0.0, 0], [0.0, 0], [0.01285954847160982, 2], [0.0, 0], [0.0013394629857464012, 1], [0.0, 0], [0.001981998302130409, 2], [0.028276464994880218, 2], [0.0, 0]], [[0.0, 0], [0.021119110749323423, 13], [0.010036770569791043, 5], [0.003103377476246772, 2], [0.10116080485780692, 8], [1.4416573333610607e-05, 2], [0.024233009581952306, 6], [7.60699876168771e-06, 1], [0.02066269941428902, 4], [0.009003179908149098, 1], [0.002176024050524831, 8], [0.01718389700951872, 5], [8.389779092773471e-05, 2], [0.13300447820659206, 2], [0.005994753630054677, 1], [0.023069685125204503, 3], [0.06739059932733789, 6], [0.02316445817878316, 2], [0.0001293448256232685, 1], [0.025224225562891337, 2], [0.04814437722196376, 6], [0.02811944509584644, 18], [0.016769296468970005, 2], [0.04430217699151655, 1], [0.0, 0], [0.017756921714897365, 11], [0.03844575354473607, 6], [0.0, 0], [0.0, 0], [0.10192628653945639, 1], [0.004846937352232991, 3], [0.0006390654360246338, 2], [0.028280162823741056, 4], [0.007264510454830341, 1], [0.03375720374348239, 2], [0.00014163043935298575, 3], [0.0794867223569704, 5], [0.0, 0], [0.04739094071309142, 4], [0.0, 0], [0.004852882556160774, 3], [0.018382485161790432, 2], [0.0, 0], [0.0, 0], [0.03063147318327079, 3], [0.0, 0], [0.00237714155472202, 2], [0.0, 0], [0.0036658962903199518, 2], [0.01646034280013771, 2], [0.0, 0]], [[0.0, 0], [0.018575950279555917, 11], [0.011098220998866056, 11], [0.01132595599000764, 4], [0.007206096728869834, 4], [0.0001711963783472404, 3], [0.08557423684179664, 3], [0.0013790413512063655, 8], [0.001188499351318843, 5], [0.006030660029018499, 4], [0.013238305254320588, 9], [0.005837146796137718, 6], [0.0009349934486837768, 10], [8.597667019319064e-05, 2], [5.113440968856651e-06, 1], [0.006662494015236903, 5], [0.0452309183222275, 4], [0.005179495377481208, 5], [0.0009899364850185978, 4], [0.013590566652149985, 4], [0.008902395704256608, 9], [0.029305272718227037, 14], [0.0030254378297738726, 4], [0.0009420084619425668, 3], [0.0, 0], [0.17101481942846095, 19], [0.05276602169560177, 5], [0.0, 0], [0.001024044153408338, 1], [0.0, 0], [0.004629490550828175, 2], [0.003919392596738981, 2], [0.0011497553201589789, 1], [0.0027880652479545507, 2], [0.0706860206681599, 3], [0.0035281595014336363, 7], [0.014598042317098662, 6], [0.0, 0], [0.019584298461426335, 1], [0.006708784189782485, 2], [0.25350626006111326, 11], [0.0396415194073847, 9], [0.0, 0], [0.002067645751392831, 3], [0.0006168216639632404, 1], [0.009194864481491555, 4], [0.008706420290339734, 8], [0.0025908740928254383, 1], [0.0005321918243851599, 2], [0.0011178935405602424, 1], [0.0019422892241316091, 4]], [[0.015666811651674974, 2], [0.006023915075291167, 3], [0.010773163607243367, 7], [0.026451753128534233, 3], [0.0007017106767136131, 4], [0.0001319695467991299, 1], [0.004094612129289624, 3], [0.1859532925218047, 3], [0.0005339933369842734, 2], [0.012073270897450606, 5], [0.03536399289162771, 5], [0.1963202418834979, 7], [0.00021463485149102068, 6], [0.00036786992604241983, 1], [0.008068004270469884, 4], [0.033845722173953124, 7], [0.0005165631504570875, 1], [0.12954377074866122, 7], [3.7852191188917e-05, 1], [0.00029469208754658943, 1], [0.04454638673444952, 11], [0.010189595173996861, 9], [0.009326695418507907, 3], [0.001102882513835369, 6], [0.0, 0], [0.04200299734798803, 12], [0.11620035620428022, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005152775056960021, 1], [0.0, 0], [0.26276225937815356, 1], [0.0, 0], [0.000913660094521962, 1], [0.002101241139189686, 1], [0.13700850623184604, 10], [0.0, 0], [0.034947557914670385, 2], [0.0, 0], [0.04318933703780107, 8], [0.23218504227764514, 7], [0.0, 0], [0.01409614243803043, 1], [0.0, 0], [0.06272599041115695, 3], [0.0013962094538931872, 4], [0.0028384478679909565, 1], [0.002444335385833053, 2], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.029335618699125487, 4], [0.0001712978265072415, 2], [0.0, 0], [0.0, 0], [7.78307860312968e-05, 1], [0.0, 0], [2.287872678041618e-05, 1], [0.0, 0], [0.00044207958713269154, 1], [0.0013960021336306006, 1], [0.008194140737592177, 2], [4.6771041800978846e-05, 2], [0.0, 0], [0.0, 0], [0.00022514027577683459, 2], [0.0, 0], [0.03380258469180904, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0007649294492756482, 1], [0.0, 0], [0.0, 0], [0.004367593819015469, 2], [0.0, 0], [0.0002758107610941304, 1], [0.0, 0], [0.0, 0], [0.0010919366016138912, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.04528517717681823, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [7.897619488916195e-05, 1], [0.0009505744232291341, 1], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.007117488293604497, 2], [0.06646576348860139, 7], [0.004987648762762588, 14], [0.0, 0], [0.001772627631420962, 4], [0.004454451747695948, 2], [0.0020649085547029557, 2], [4.4941634342552006e-05, 2], [0.0, 0], [0.02602387872866728, 3], [4.655507019452666e-05, 1], [0.0014916712694811652, 2], [0.002440001860894782, 7], [7.795171289163067e-05, 3], [0.00013496706612628782, 2], [0.0014943930598190374, 2], [0.0035410897067357254, 4], [0.009067483453067128, 5], [0.008507804596987446, 4], [0.0010872385656716481, 2], [0.009719577192209708, 6], [0.0008611422584511653, 5], [0.0, 0], [0.0, 0], [0.0019999647826307366, 3], [0.005104102464775954, 10], [0.0007073462818969494, 1], [0.0, 0], [0.0, 0], [0.0014866058345972231, 1], [0.0, 0], [0.013238978884264925, 3], [0.006055192351712487, 5], [0.008320450068844106, 3], [0.0, 0], [0.0003996272610071987, 2], [0.001285108116500692, 1], [0.00015732912832285811, 1], [0.0, 0], [0.0007310009490117726, 1], [0.0, 0], [0.00784740371226557, 2], [0.0017450263241226714, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.05195412687937216, 3], [0.1305524489297769, 5], [0.011725679031409142, 2], [0.010496591146245524, 4], [0.0003492250662475714, 1]], [[0.09057916662158522, 11], [0.02933558845863894, 26], [0.03546904045540667, 52], [0.013572380555564553, 13], [0.006466171543663413, 18], [0.120259993042822, 16], [0.02293788279757891, 12], [0.0049551555319768195, 11], [0.0032207195849153474, 11], [0.07620807459263565, 12], [0.0676083352030702, 24], [0.014534222338314138, 10], [0.01942285223911917, 38], [0.006747205012907594, 10], [0.0038802008495979943, 10], [0.012537858279868997, 15], [0.03098558572811056, 9], [0.014401200966141921, 17], [0.016208528085662127, 19], [0.011530942294616132, 7], [0.05469807810704396, 36], [0.014827222260462515, 37], [0.042423787092782286, 11], [0.003913308475184135, 16], [0.0003700739528437033, 1], [0.08433224006986804, 43], [0.041464987938670796, 11], [0.0069312032435086554, 4], [0.0018351721249439748, 3], [0.007610008584373749, 1], [0.03864466914933762, 10], [0.05004192260183942, 9], [0.013943896679176766, 9], [0.01637952179866252, 9], [0.033716532885069816, 9], [0.012506309610114499, 9], [0.014253421453211313, 17], [0.00012716952552789505, 1], [0.0449488638151668, 12], [0.06630749055320409, 7], [0.11136075571862013, 30], [0.06727982181650492, 16], [0.004098546274359094, 2], [0.006057511639432772, 5], [0.011521148661550441, 6], [0.0409737925371304, 8], [0.024340467045251873, 18], [0.14398613407447539, 8], [0.006938458181708586, 6], [0.0903130722741197, 8], [0.0037240145952828567, 3]], [[0.0, 0], [0.021467271319988393, 10], [0.01962273029648474, 5], [0.0018524302423401802, 1], [0.12091917830942694, 6], [0.0, 0], [0.012080506164132537, 4], [0.0, 0], [0.013647123639287804, 3], [0.012730748737835649, 1], [0.002257130592864468, 6], [0.014247436250089533, 4], [2.520449711741065e-05, 1], [0.08796765061498675, 2], [0.003958791455760764, 1], [0.032529080363570106, 2], [0.04320915663029671, 4], [0.04319148874802043, 1], [7.208245743208362e-05, 1], [0.0470225516593757, 1], [0.06903210005990616, 4], [0.022557182948500596, 13], [0.015210124619622203, 2], [0.02925609467357163, 1], [0.0, 0], [0.015314220167190848, 7], [0.027838329490389814, 4], [0.0, 0], [0.0, 0], [0.07772292563258838, 1], [0.0032644828691516564, 2], [0.0, 0], [0.01205192756610701, 3], [0.002983333559346503, 1], [0.022810982921185746, 2], [7.45461935403248e-05, 1], [0.129359085688217, 4], [0.0, 0], [0.030553201089937705, 3], [0.0, 0], [0.00035724217484452527, 2], [0.011706399585016897, 2], [0.0, 0], [0.0, 0], [0.01285954847160982, 2], [0.0, 0], [0.0013394629857464012, 1], [0.0, 0], [0.001981998302130409, 2], [0.028276464994880218, 2], [0.0, 0]], [[0.0, 0], [0.021119110749323423, 13], [0.010036770569791043, 5], [0.003103377476246772, 2], [0.10116080485780692, 8], [1.4416573333610607e-05, 2], [0.024233009581952306, 6], [7.60699876168771e-06, 1], [0.02066269941428902, 4], [0.009003179908149098, 1], [0.002176024050524831, 8], [0.01718389700951872, 5], [8.389779092773471e-05, 2], [0.13300447820659206, 2], [0.005994753630054677, 1], [0.023069685125204503, 3], [0.06739059932733789, 6], [0.02316445817878316, 2], [0.0001293448256232685, 1], [0.025224225562891337, 2], [0.04814437722196376, 6], [0.02811944509584644, 18], [0.016769296468970005, 2], [0.04430217699151655, 1], [0.0, 0], [0.017756921714897365, 11], [0.03844575354473607, 6], [0.0, 0], [0.0, 0], [0.10192628653945639, 1], [0.004846937352232991, 3], [0.0006390654360246338, 2], [0.028280162823741056, 4], [0.007264510454830341, 1], [0.03375720374348239, 2], [0.00014163043935298575, 3], [0.0794867223569704, 5], [0.0, 0], [0.04739094071309142, 4], [0.0, 0], [0.004852882556160774, 3], [0.018382485161790432, 2], [0.0, 0], [0.0, 0], [0.03063147318327079, 3], [0.0, 0], [0.00237714155472202, 2], [0.0, 0], [0.0036658962903199518, 2], [0.01646034280013771, 2], [0.0, 0]], [[0.0, 0], [0.007579926670233171, 3], [0.0, 0], [0.00021814192743548874, 1], [0.005359567668369229, 1], [0.001225086523074026, 1], [0.01593292669000311, 1], [0.001724733945790556, 1], [0.029321699879024395, 2], [0.001168242601699814, 1], [0.0007587088672463653, 2], [9.302484175425401e-05, 1], [0.0013231252465814485, 1], [0.17748544814941167, 1], [0.009340373949197914, 2], [0.0004345815361627464, 1], [0.0001352504697627532, 1], [0.027306215349841588, 1], [2.32750558708919e-05, 1], [0.0, 0], [0.018189135214443396, 4], [0.0001627544184136332, 1], [0.0627443830191071, 2], [0.05912413821643276, 1], [0.0, 0], [0.016648748489730875, 2], [0.0, 0], [0.0, 0], [0.0007157253141415519, 1], [0.0, 0], [0.0, 0], [0.022764140567087657, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.5316646078580738, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00028804320744852985, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0034327611362075724, 3], [0.008887111296872018, 6], [0.004246601953666606, 4], [0.10140299752952849, 5], [4.725123307691616e-05, 1], [6.52156003052229e-05, 2], [0.004808769605947306, 1], [6.072282423974208e-05, 1], [0.009538773027128133, 6], [0.0, 0], [0.0002054310163361565, 2], [0.00043651397318706395, 1], [0.003791517371482697, 7], [0.0013054850501628174, 1], [0.0, 0], [0.0, 0], [0.0236873626414631, 2], [0.001079519265004597, 1], [0.005356296570276511, 1], [0.004604194748740202, 2], [0.00540689294044829, 6], [0.0002269551878713202, 3], [0.031696663223432286, 2], [0.0005092832110674834, 1], [0.0, 0], [0.0035170144289508754, 8], [0.004250321955137248, 3], [0.0, 0], [0.007198770441443575, 2], [0.0, 0], [0.000348799370858444, 1], [0.0, 0], [0.013090331085086383, 2], [0.004894948858676925, 3], [0.0, 0], [0.0, 0], [0.0002081716424916488, 2], [0.0, 0], [0.0, 0], [0.27294451049290036, 1], [0.03456007855236767, 4], [0.02670925271832507, 4], [0.0, 0], [0.00801011020354474, 2], [0.00978041147689344, 1], [0.0095531228283865, 2], [0.0008082371647449264, 3], [0.0, 0], [0.006294752583167451, 2], [0.009980211618110682, 1], [0.0033094421062762744, 2]], [[0.010412667172328739, 4], [0.013532062929617023, 7], [0.0054357922312174055, 13], [0.01661179374656386, 15], [0.0005844790913728913, 5], [0.003490957731618479, 3], [0.011936988567060578, 8], [0.00021497997613318084, 5], [0.0011248276437437036, 5], [0.043477088944638274, 5], [0.0010678154612322923, 9], [0.0015898355239431679, 4], [0.00033788475039894523, 9], [0.0002574387175460593, 2], [0.0001680908635152975, 4], [0.0024049353536877856, 4], [0.003235888311794606, 3], [0.007561268839797785, 1], [0.0012718463661263132, 3], [0.008584556550265778, 3], [0.004388451404408762, 7], [0.017500666845217262, 18], [0.016998078248682602, 5], [0.0004922275948002922, 2], [0.0, 0], [0.011576704413259073, 18], [0.00879942311104867, 7], [0.0045365852252998076, 1], [0.021050980055322775, 3], [0.0005130583834163803, 1], [0.0006827673457295744, 4], [0.01572150564914714, 2], [0.080957360959902, 6], [0.007704785599968954, 7], [0.015013023809227111, 2], [0.0017898852934941794, 4], [0.0003871598127872691, 4], [0.0, 0], [0.019633004832890048, 3], [0.017808275682084065, 5], [0.01924165578075901, 17], [0.02528559477749525, 7], [0.0, 0], [0.0007547357389582124, 2], [0.02697351201205507, 5], [0.03351396105220085, 6], [0.0023895507386024447, 5], [0.0, 0], [0.0011335089133729629, 2], [0.0005153055466642729, 1], [0.012868134076453474, 3]], [[0.01852515175150626, 2], [0.00017334883018213214, 2], [5.610228829933781e-05, 2], [0.03660140869756466, 2], [0.0, 0], [0.0002978289952903934, 1], [0.0, 0], [0.0065515335801957075, 3], [0.016286517823509546, 2], [0.005114866776071062, 3], [0.00010602242693803708, 1], [0.0018284456649658915, 2], [0.0008087603464058297, 3], [0.0, 0], [1.9478533052556206e-05, 1], [0.00959507946809053, 3], [0.0013900756554485003, 2], [0.0, 0], [1.2258193216531286e-05, 1], [0.0, 0], [0.007526878577158394, 3], [0.003499678557952038, 3], [0.001760594936505943, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.002923653873349638, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0013780392005635547, 2], [0.0, 0], [0.0, 0], [0.00041464566587850305, 2], [0.0, 0], [0.18932029451728333, 1], [0.0014796536630105165, 1], [0.0, 0], [0.047660212772014335, 3], [0.0, 0], [0.0004851611330513422, 1], [0.0, 0], [0.015128237479068458, 1], [0.0005086662570325088, 3], [0.13071773768505268, 1], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.007384278681669921, 3], [0.0012446224305847433, 7], [0.014920879565237124, 5], [0.06400800044919981, 8], [0.010417338218554763, 6], [0.008277104948568963, 1], [0.012536482401580739, 3], [0.0068681426860985615, 4], [0.0007895559847911975, 4], [0.007179520457078127, 3], [0.0013823945409497586, 4], [0.051102453508425814, 5], [7.071001993085248e-05, 3], [0.0026529588534098983, 3], [1.0087990135553017e-05, 1], [0.0015332367685366713, 6], [0.04758462930221743, 3], [0.08164140323436778, 3], [0.0002398230915562802, 3], [0.00023413462661486548, 2], [0.008350872636062935, 8], [0.00410662182719637, 12], [0.0, 0], [0.00014823511628254222, 3], [0.0003533870015249525, 1], [0.011810318337620996, 8], [0.029149389809647198, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005132083841728198, 2], [0.00932273108031603, 2], [0.0022790627614933715, 2], [0.0011411474349007358, 1], [0.00027349900206924356, 1], [0.009482945301510849, 3], [0.008928236717449923, 5], [0.0, 0], [0.30049755510890425, 4], [0.0002365776439915753, 1], [0.008765484913408367, 7], [0.28231076749053496, 8], [0.0, 0], [0.0, 0], [0.0, 0], [0.0638703485543465, 3], [0.0010138523921825145, 6], [0.0, 0], [0.007552524700941362, 4], [0.0, 0], [0.0, 0]], [[0.004127247105685647, 6], [0.005065195845464083, 12], [0.03866038419943152, 20], [0.10753118035205407, 25], [0.003362815875349419, 15], [0.0012168710368931181, 5], [0.025069189224173602, 10], [0.004676185563688285, 14], [0.021942998663310707, 9], [0.08728145783675507, 13], [0.001067405325794661, 12], [0.013051409032988459, 10], [0.0010712700809435898, 15], [0.00031332972588038525, 6], [0.0006919455190372288, 8], [0.00675840238321991, 11], [0.009533719018575665, 7], [0.01754393482124026, 13], [0.0014359639066597416, 4], [0.004004213810825478, 7], [0.02631086203158952, 20], [0.012764177666839365, 24], [0.011466831346000753, 7], [0.0008222221672142133, 6], [0.0006861347162626202, 2], [0.012148126174395759, 27], [0.008830505292492184, 6], [0.0, 0], [0.005745837583579726, 2], [0.0, 0], [0.0007386264725542616, 4], [0.016385655730013778, 3], [0.08918119763882663, 7], [0.010111286029383295, 3], [0.014602409120604572, 2], [0.002395264874901074, 5], [0.011880376568044061, 15], [0.0, 0], [0.050777070781014774, 7], [0.14369127095370424, 4], [0.07222227155224183, 33], [0.12312745739227458, 21], [0.0, 0], [0.0045340488433337, 3], [0.02156977971093313, 3], [0.05962734773537284, 8], [0.002849485110380241, 10], [0.01482241125911694, 2], [0.0034855494948344144, 4], [0.004798464323953092, 1], [0.008124513932928597, 5]], [[0.0028381241750014335, 5], [0.0041078612727150484, 9], [0.040798298997769135, 16], [0.08951940194043545, 21], [0.0009786349182366084, 9], [0.001336862358144116, 5], [0.010816558509764911, 7], [0.002693682952069061, 11], [0.02259561485964379, 9], [0.059105574874736756, 11], [0.0005772125132401057, 10], [0.002500602691677304, 9], [0.0008171153325875189, 15], [0.00036527851125196174, 5], [0.0007725729248492092, 7], [0.005147432995842109, 8], [0.00957306434226869, 5], [0.00277852269133806, 8], [0.0014698349557380078, 3], [0.0039236224537943, 7], [0.020057906618133926, 15], [0.012528343896964722, 18], [0.009424942762702112, 7], [0.00045624588501144096, 5], [0.001057446525909874, 1], [0.005860521695597443, 22], [0.007278689459092788, 7], [0.00011544078619132169, 1], [0.004313443748975564, 2], [0.0, 0], [0.000393895981478689, 2], [0.017426523052310034, 2], [0.07936705660743423, 6], [0.005937111416200335, 4], [0.016073873347384204, 2], [0.0020635318746529165, 5], [0.0022569213180028596, 9], [0.0, 0], [0.025635654288509405, 6], [0.13494816888841457, 5], [0.053126217717851414, 29], [0.08887875383476454, 15], [0.0, 0], [0.003985305768254043, 3], [0.012880256644220437, 3], [0.048098472682064596, 7], [0.0018621723953308827, 8], [0.001535787179129236, 1], [0.0026547472244921773, 3], [0.0047223440222541975, 1], [0.007553769175958527, 5]], [[0.0, 0], [0.100994829028195, 4], [0.004361162722008971, 4], [0.19757560233130775, 1], [0.0009853377865316417, 2], [0.00415615685233074, 3], [0.012499495459479936, 1], [6.954529673818222e-05, 1], [0.00016308469743377853, 1], [0.0074813284138913255, 1], [0.002515968938579539, 3], [0.06058086702220872, 2], [3.779051478654221e-05, 1], [0.0028530173492203933, 1], [0.00019322276459031256, 1], [0.003148201036663383, 3], [0.0, 0], [0.020775644349031067, 2], [0.0, 0], [0.0, 0], [0.0006529150421001064, 3], [0.004961807986355549, 3], [0.15597953103591186, 3], [6.9689642729751455e-06, 1], [0.0, 0], [0.03536536052767807, 3], [0.003920684892460023, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0014731626826816023, 2], [0.02952168510737043, 1], [0.013850099803960602, 2], [0.038435825989405044, 1], [0.0, 0], [5.918511479551352e-05, 1], [0.0, 0], [0.0, 0], [0.18253615828719663, 1], [0.0, 0], [0.02250968065579002, 1], [0.0, 0], [0.1485039064562506, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.009438188448585022, 1], [0.0, 0], [0.00018834570058046788, 2], [0.0, 0], [0.0, 0]], [[0.00680214325312707, 1], [0.000636704976358535, 2], [0.0004526965562362466, 4], [0.006189246207583112, 2], [0.00036899602412244207, 2], [0.04815485559076387, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0011950550059239792, 2], [0.0009458298553143182, 2], [0.002515453667074016, 4], [0.01069943430795394, 1], [0.0, 0], [0.007278766193772464, 1], [0.0015628996084464985, 2], [0.0008486353441325539, 1], [0.007261761841899434, 4], [0.00031550573832510905, 3], [0.003998151966008635, 1], [0.013642628906374722, 1], [0.013571989186490318, 1], [0.0012507184932790648, 2], [0.0, 0], [0.0, 0], [0.0063923206117124, 1], [0.0, 0], [0.0, 0], [0.006230622475842027, 2], [0.009288294544699366, 2], [0.0010350119964770235, 1], [0.0, 0], [7.03589453351341e-05, 1], [0.0, 0], [0.00016136419212234513, 1], [0.02079406670956828, 3], [0.0, 0], [0.018129898882779015, 2], [0.0, 0], [0.0, 0], [0.0075170747837198905, 1], [0.012016640752458055, 1], [0.0, 0], [0.01996614990666601, 1], [0.0, 0], [0.002847913267885927, 1], [0.0, 0], [0.03605389791956096, 1]], [[0.001572155676280925, 1], [0.0, 0], [0.000195117620400119, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.003041418088042553, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0010854493375973778, 1], [0.00032604987231411853, 1], [0.010139029012109432, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0003735287710615976, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0072602764699989325, 1], [0.01630477154313436, 2], [0.031883835747259254, 2], [0.0, 0], [0.0, 0]], [[0.002782428692362829, 1], [0.05506419804340063, 1], [0.012696562774214654, 6], [0.01095893356569388, 2], [0.0035755224998123506, 3], [0.0001737742070790879, 1], [0.0, 0], [0.0, 0], [0.006667198102479975, 1], [0.006932833446044015, 3], [0.0, 0], [0.001487549031588337, 2], [0.0010390505229890114, 2], [0.0008214816988026484, 1], [0.0, 0], [0.0001751547035567037, 1], [0.0, 0], [0.0003483161875073263, 2], [0.015401788535485093, 3], [0.021755142812253398, 2], [0.011417882589147707, 2], [0.0005949571429844857, 1], [0.005258240996326158, 2], [0.0011502929610843155, 1], [0.0, 0], [0.00016798464689534318, 1], [0.0360253150060324, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.030342984829073893, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0023236961706808792, 3], [0.0, 0], [0.0, 0], [0.243921969041657, 2], [0.021106711406193236, 5], [0.0, 0], [0.0, 0], [0.01984723464968602, 2], [0.005253151462315481, 1], [0.0, 0], [0.0004923935200746271, 1], [0.0, 0], [0.004615512276389608, 1], [0.033400192937426076, 1], [0.0, 0]], [[0.027664072371357703, 7], [0.0063684863452923395, 4], [0.005610655236595596, 9], [0.06388609292646696, 5], [0.0027746302163402263, 3], [0.006757567896382668, 5], [0.0707263002820368, 6], [0.0008648342443737774, 3], [0.011929705203014798, 1], [0.07909546132624609, 6], [0.0008725563929167885, 4], [0.009287973007401829, 5], [0.0013326295079776197, 8], [0.0010337167314060575, 2], [0.0013409964331230666, 4], [0.004784524701338859, 4], [0.0052458631976455145, 3], [0.007408321552105768, 6], [0.000537434303659441, 2], [0.0009827283324026815, 2], [0.10643031181438678, 10], [0.0018949469256868718, 9], [0.005907432766063373, 2], [0.00030800332282659044, 3], [0.011829725733335239, 3], [0.006039511697227774, 9], [0.00943117219304018, 2], [0.0, 0], [0.0, 0], [0.0016726272559001022, 1], [6.109334009539754e-05, 1], [0.007457162078869855, 3], [0.008490448408192908, 2], [0.000955497327829619, 3], [0.00017123539653482583, 1], [0.00016200171605477377, 2], [0.0006359320755139261, 4], [0.0, 0], [0.004818680551933132, 3], [0.0, 0], [0.03764237439896367, 4], [0.014522633473458472, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.206943065684131, 2], [0.008318992821335662, 4], [0.0016636658758580542, 1], [0.04434375342658635, 3], [0.0016958224589129515, 3], [0.006833745865227753, 2]], [[0.010800473197500236, 3], [0.0006081133072378689, 3], [0.0015081878813862988, 4], [0.0, 0], [1.8398206693980198e-05, 1], [0.03753149010879493, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.00037073018533518226, 1], [8.891708885277967e-06, 1], [0.00036179934949466086, 2], [0.0033667977740035825, 9], [1.769631234807491e-05, 1], [0.0, 0], [0.0009419309070951039, 1], [0.024063703567768838, 7], [0.0015909343395760771, 4], [0.008364837677428677, 8], [0.0, 0], [0.027762891818720676, 4], [0.0006898160631295048, 4], [0.07709835165050341, 2], [0.0, 0], [0.009894193827215583, 2], [0.00623603701985247, 2], [0.001016410382511484, 2], [0.0, 0], [0.0, 0], [0.014947064835594454, 2], [0.0005575285563744881, 1], [0.0025802899699108013, 1], [0.0017951079479071293, 2], [0.0, 0], [0.0, 0], [1.8489065849333306e-05, 1], [0.0004900182389608064, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.010843020184988611, 3], [0.15156444609388484, 8], [0.19762239926778058, 8], [0.047719161868538404, 2], [0.005616109220451811, 1]], [[0.06061939030555339, 1], [0.0, 0], [0.001337772457855069, 2], [0.0, 0], [0.0004970785908593964, 1], [0.0, 0], [0.00043500842771997204, 1], [0.0, 0], [0.0, 0], [0.0, 0], [2.1003925788800485e-05, 1], [0.0, 0], [0.0010911995175756487, 2], [0.0, 0], [3.949644314020104e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.002606424297009482, 1], [0.0006531069637033469, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.010302363614240357, 2], [0.03429520241021874, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00036689426958503543, 1], [0.07560288768146997, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.00047159571501733944, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.025805599788210922, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.09961048597871851, 1]], [[0.009226060422818162, 1], [0.02227266456246596, 6], [0.01158077185920178, 8], [0.022470402134416916, 1], [0.0007294495275465231, 4], [0.0005747726246652455, 4], [0.05999727464796766, 3], [0.21574152955032072, 2], [3.189715174307746e-06, 1], [0.0, 0], [0.0012576161156284476, 6], [0.23231163470315958, 5], [0.007063321740919566, 6], [0.0042355684259676556, 4], [0.008186563976957136, 4], [0.00425939497684604, 3], [0.003195049738844165, 2], [0.1516375542079701, 10], [0.0032384029142393544, 5], [0.00020100298526128796, 1], [0.01457948765739254, 6], [0.008057600921674854, 11], [0.01725426690113241, 2], [0.0018564506656421314, 3], [0.0, 0], [0.0087369040959571, 8], [0.050671762921195955, 4], [0.0, 0], [0.0008322309739537596, 1], [0.0, 0], [0.0005687970484478239, 3], [0.0003243308871511528, 1], [0.05454885819390786, 2], [0.0, 0], [0.0, 0], [0.00540527192578315, 1], [0.1108143229412968, 4], [0.0, 0], [0.025440390812823274, 2], [0.006530036373395279, 1], [0.012115055803872631, 2], [0.05160899726570811, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.03430912583135468, 2], [0.005557671951592089, 3], [0.0, 0], [0.003724191166979089, 3], [0.0, 0], [0.019305175125796846, 2]], [[0.0011566396151845386, 1], [0.005778504740734146, 3], [0.003370689533982785, 3], [0.43004982863660707, 4], [0.0, 0], [0.00016415208627532617, 1], [0.006940665969484222, 2], [0.001498473410168197, 5], [0.001249583066984271, 3], [0.004922216826624945, 2], [0.0010859025557178824, 1], [0.003855748463697733, 2], [0.00012775420793146493, 4], [0.0, 0], [3.964003897802883e-05, 2], [0.000507729298367131, 2], [0.0, 0], [0.001167000386247389, 1], [0.0, 0], [0.005367695428028935, 2], [0.013389024200771949, 5], [4.3394485061223716e-05, 1], [0.0, 0], [0.0012611117137356638, 2], [0.0, 0], [0.0009428338425232529, 4], [0.0006791684349755297, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0035617473629971494, 1], [0.0009974957600271288, 1], [0.0006467794391792788, 1], [0.00021502466508753116, 1], [0.0004372902062189374, 3], [0.0, 0], [0.027922652913219156, 2], [0.03040015901066314, 1], [0.13756031018867287, 4], [0.016050314238075028, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.012487288947674244, 4], [0.0008788655756349167, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.023841709422156153, 3], [0.001080292626562509, 6], [0.0015424415826422943, 6], [0.008730165601155936, 5], [0.00022248758631681617, 5], [8.450848741059085e-05, 2], [0.0006021218216156347, 1], [0.0002676767491049804, 3], [4.733310910140062e-05, 2], [0.0, 0], [0.0001804812184803278, 2], [9.266824723245752e-05, 1], [0.00024230025614360048, 4], [0.04050338744335238, 1], [0.0014859987270005445, 1], [0.0004476345006970522, 4], [0.0075412642240052005, 1], [0.005076292634417443, 1], [0.006076907837534077, 5], [0.000611991418029644, 1], [0.024428547457080375, 10], [0.006613744952107496, 7], [0.0020741517448012517, 2], [0.0, 0], [0.003411495364858529, 2], [0.0034348821439514387, 8], [0.005161839515026499, 3], [0.0, 0], [0.00412304177664374, 2], [0.004825622259430722, 1], [0.006012501445656738, 3], [0.0037322970495593027, 2], [0.009262241857381887, 2], [0.001722148268443206, 1], [0.0, 0], [0.00017464472116785192, 1], [0.005943866622576041, 3], [0.0, 0], [0.0, 0], [0.0027908614524094445, 1], [0.0013983699482288756, 5], [0.01796881315593434, 5], [0.0, 0], [0.0014192361545652162, 1], [0.0, 0], [0.00518664970433468, 1], [0.00024581161323980623, 2], [0.0, 0], [0.019396329126056117, 2], [0.0, 0], [0.0005638447192898961, 1]], [[0.0, 0], [0.01965312679153338, 4], [0.0011332151179901653, 5], [0.001183946870819483, 2], [0.0023024782171190096, 4], [0.0003684704113035297, 2], [0.021038543182270518, 3], [0.06978084063307297, 3], [0.00070735821589855, 2], [0.008491939247901927, 2], [0.0003946683517871014, 4], [0.06502412331009258, 1], [0.00027881621993543644, 3], [0.0002649812825282398, 2], [0.0025665815240013042, 2], [0.00013432362645142602, 1], [0.004582943443597749, 4], [0.041225990430798685, 4], [0.0008076084486483403, 1], [0.001356049470304888, 1], [0.019381308521116112, 8], [0.013626319828452624, 10], [0.0, 0], [0.0001823622916566286, 1], [0.00205818519438328, 1], [0.017641767266146628, 6], [0.014752180292031713, 2], [0.00047627675462934646, 1], [0.00021970378712335523, 1], [0.15549799127470398, 1], [0.006769527136891296, 3], [0.01814581466421832, 2], [0.004826688815969333, 2], [0.0, 0], [0.0, 0], [0.0014737845550532337, 1], [0.04172867433505132, 4], [0.0007726195913032315, 1], [0.030918384986763463, 2], [0.0, 0], [0.011994788774290265, 4], [0.000762807348965181, 1], [0.0, 0], [0.0003293011793612462, 1], [0.023102774394009054, 1], [0.011655755223675643, 2], [0.0, 0], [0.0, 0], [0.00018501520246354307, 1], [0.0, 0], [0.01322563035705734, 1]], [[0.00338196973447663, 2], [0.030874213361457133, 23], [0.019731726834995654, 20], [0.0018310981469404984, 4], [0.0018242983053740835, 14], [0.0009407831653977341, 5], [0.019695861646968457, 14], [0.03298582159819863, 9], [0.003324832744050065, 9], [0.0, 0], [0.045523250889748276, 19], [0.03228455928495903, 6], [0.00039357207722177576, 10], [0.002108150444478896, 4], [0.002048464856620354, 7], [0.0291385240357388, 9], [0.04535295013769089, 10], [0.019546956914072145, 6], [0.000303540835038263, 5], [0.053438533011059344, 4], [0.02935196382247116, 16], [0.15483736628225514, 34], [0.01287020142442456, 4], [0.002400054877646709, 5], [0.0, 0], [0.06316697067209269, 26], [0.16463350293619722, 10], [0.007671639146091404, 1], [0.002649276844772299, 3], [0.0017715968131452344, 1], [0.006248071871102906, 9], [0.002284931040834604, 3], [0.06572675881754615, 5], [0.00324061101688616, 3], [0.014109935782887561, 8], [0.00017100976178691885, 3], [0.08262558551691328, 20], [0.0, 0], [0.02015012606560122, 4], [0.04289137809035517, 2], [0.06256765932482275, 9], [0.17587017609480865, 10], [0.0, 0], [0.00243073195961337, 1], [0.008116666246363754, 3], [0.09174484304273789, 2], [0.0035260826003594026, 7], [0.0, 0], [0.0035653301380683257, 3], [0.00019014431110898452, 1], [0.0007471489299766064, 1]], [[0.0, 0], [0.005634566107434402, 6], [0.00045155609355107914, 1], [0.007706089063919613, 2], [0.012074244507622319, 6], [0.00016089735162240864, 1], [0.017311010054993983, 3], [0.26591129237805505, 2], [0.008766512304811385, 2], [0.00034990356256968695, 1], [0.002787807801294645, 5], [0.24952793466251771, 5], [0.0003962928905615324, 1], [0.0, 0], [0.009945120492239947, 2], [0.007374125610132988, 2], [0.06580267692439627, 2], [0.14139566646755303, 2], [0.00017491385999235647, 2], [0.0, 0], [0.01259838507928919, 5], [0.02151319111957813, 10], [0.008802765127312144, 2], [0.0009698199474911705, 1], [0.0, 0], [0.0859675419612582, 10], [0.05308804843721571, 2], [0.004031882488319953, 1], [0.0, 0], [0.0, 0], [0.0019720762434330425, 2], [0.0029897397940629542, 1], [0.157040396249284, 5], [0.005777212257734903, 1], [0.0, 0], [0.00047656364093760393, 2], [0.21683460355406944, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.06436843277197868, 5], [0.036586695597214225, 1], [0.0, 0], [0.0, 0], [0.028175508161667598, 2], [0.0, 0], [8.627261522015426e-05, 1], [0.0, 0], [0.0014812466310547728, 1], [0.0025789078265757203, 1], [0.0, 0]], [[0.0, 0], [0.0, 0], [0.008638925601222302, 2], [0.0, 0], [0.00031156751263468704, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.010629516157799753, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0650659663419664, 2], [5.9268222164865954e-05, 1], [0.0, 0], [3.8024039850448e-05, 1], [0.0, 0], [0.011619012670366358, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.031296017370202496, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.008286587011244543, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0006299544204787758, 1], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.01111857645300117, 5], [0.00011027044602355597, 2], [0.0024359363178686234, 3], [0.0024180451767236992, 5], [0.0003661568472332646, 1], [0.08143019642661216, 3], [0.45784115528064984, 2], [0.012134475390613495, 2], [0.00048563233132431743, 1], [0.0031748729232324705, 5], [0.43277920021386995, 4], [0.0005500162356658506, 1], [0.0, 0], [0.01721619695931348, 2], [0.0007997559303373977, 3], [0.0008158194187913069, 2], [0.2453739299071724, 2], [8.913357047101558e-05, 2], [0.00630969050247804, 1], [0.0024143050072841284, 4], [0.0044615267865054905, 9], [0.019143686409888665, 2], [0.00011547917745064424, 1], [0.0, 0], [0.019228249956688766, 8], [0.08918746566742695, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.004519332242943842, 1], [0.01996750157169312, 3], [0.12974093787789065, 5], [0.03167745072217401, 1], [0.0, 0], [6.976122547204106e-05, 1], [0.3937692884516834, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.008320034511168277, 4], [0.001295932907667292, 2], [0.0, 0], [0.0, 0], [0.12672307529683285, 1], [0.0, 0], [0.00011973805282552714, 1], [0.0, 0], [0.008121930624896374, 1], [0.0, 0], [0.0, 0]], [[0.0022743689130859278, 3], [0.01372333172016643, 7], [0.5628769859493975, 18], [0.002584580209344885, 3], [0.005975522385233115, 7], [0.0012504160398640123, 3], [0.044171550153093084, 3], [0.0004761839499212259, 2], [0.012778515939927458, 1], [0.0017674894911819381, 1], [0.032436985823160194, 6], [0.0, 0], [0.002101690774172029, 9], [0.00046792802015802444, 1], [0.0005151851624840025, 1], [0.0005021133581460196, 2], [0.05190011250073512, 5], [0.0, 0], [0.0032701413332563065, 7], [0.001790789103117515, 1], [0.00284672164445358, 7], [0.030237549264018723, 9], [0.00434697192453228, 3], [8.275084101519432e-06, 1], [0.0061395422278097975, 4], [0.009906992402867423, 12], [0.01428186520295096, 4], [0.003873705886167795, 2], [0.0, 0], [0.0, 0], [0.0028714431968643417, 2], [0.001866442053927389, 2], [0.029529895383507913, 3], [0.002762662013384796, 2], [0.0041127017412813304, 1], [5.4727942770225765e-05, 1], [0.0, 0], [0.0, 0], [0.0015187960221909145, 1], [0.028475574821592645, 2], [0.0031727891831118214, 2], [0.0004949155192878531, 1], [0.0, 0], [0.008769755510650607, 1], [0.0, 0], [0.0, 0], [0.0043620606878304906, 6], [0.05916904656648909, 5], [0.005416339354974799, 7], [0.00280010867159923, 1], [0.004521665983640954, 2]], [[0.0, 0], [0.005634566107434402, 6], [0.00045155609355107914, 1], [0.007706089063919613, 2], [0.012074244507622319, 6], [0.00016089735162240864, 1], [0.017311010054993983, 3], [0.26591129237805505, 2], [0.008766512304811385, 2], [0.00034990356256968695, 1], [0.002787807801294645, 5], [0.24952793466251771, 5], [0.0003962928905615324, 1], [0.0, 0], [0.009945120492239947, 2], [0.007374125610132988, 2], [0.06580267692439627, 2], [0.14139566646755303, 2], [0.00017491385999235647, 2], [0.0, 0], [0.01259838507928919, 5], [0.02151319111957813, 10], [0.008802765127312144, 2], [0.0009698199474911705, 1], [0.0, 0], [0.0859675419612582, 10], [0.05308804843721571, 2], [0.004031882488319953, 1], [0.0, 0], [0.0, 0], [0.0019720762434330425, 2], [0.0029897397940629542, 1], [0.157040396249284, 5], [0.005777212257734903, 1], [0.0, 0], [0.00047656364093760393, 2], [0.21683460355406944, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.06436843277197868, 5], [0.036586695597214225, 1], [0.0, 0], [0.0, 0], [0.028175508161667598, 2], [0.0, 0], [8.627261522015426e-05, 1], [0.0, 0], [0.0014812466310547728, 1], [0.0025789078265757203, 1], [0.0, 0]], [[0.0004882111321141915, 1], [0.004113516513413475, 3], [0.007309272233803025, 2], [0.00034343110323098734, 1], [0.003712802776017964, 4], [0.00048566482001968976, 1], [0.0022601713046144717, 2], [0.0, 0], [0.0011472374614423311, 1], [0.0, 0], [0.006656051101993754, 3], [0.0002371533641841042, 1], [0.0120871735662142, 1], [0.0033040105481957783, 1], [0.0, 0], [0.06970473842636664, 2], [0.00494434122029746, 2], [0.045940006792072774, 2], [0.0, 0], [0.0, 0], [0.018058999014738755, 4], [0.05815280847284671, 6], [0.05091349822738575, 1], [0.0, 0], [0.0005406465601009913, 1], [0.04807556598759648, 4], [0.0016647708129720572, 1], [0.0, 0], [0.0, 0], [0.002152335137464656, 1], [0.32542772940407816, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.11784109029164849, 1], [0.001940130415907831, 4], [0.0, 0], [0.017573389768465605, 2], [0.0, 0], [0.001127009855581249, 1], [0.0744180402096298, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.05051109840741765, 1], [0.00035832070470854567, 1], [0.0, 0], [0.002053205790903603, 1], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.010818648954335947, 3], [0.0005786898797807179, 1], [0.003965672890996789, 2], [0.0004192206899024072, 1], [9.582519508509228e-05, 1], [0.0012462595739890987, 1], [0.00013490717897259437, 1], [0.008104113263977197, 1], [0.0, 0], [0.002963510610352998, 1], [0.0036738751399358637, 1], [0.0, 0], [0.0, 0], [0.00010481246222270193, 1], [0.00038123962263963886, 1], [0.0013902264647686403, 1], [0.002135868253915974, 1], [0.0, 0], [0.0, 0], [0.007278219434086485, 4], [0.00884653155969981, 2], [0.004646331786289009, 1], [0.00011031311237492272, 1], [0.0, 0], [0.011251958553675103, 5], [0.0, 0], [0.0, 0], [0.038728532809215066, 2], [0.0, 0], [0.0, 0], [0.0017805911416869187, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.041586340073353774, 1], [0.0, 0], [0.00609901003371528, 1], [0.0, 0], [0.00684815203097812, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.02273039090830842, 2], [0.010505205121857927, 3], [0.0743919712306472, 3], [0.0955703812305968, 2], [0.09608261711963022, 2], [3.546674356884596e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0001562537349655838, 2], [0.028946971131653062, 1], [0.037873960164429996, 3], [0.008090245019816212, 3], [0.0, 0], [0.0012467500939811718, 1], [0.43521398714077664, 2], [0.02081843545502509, 2], [0.10069871056874392, 3], [0.002974300187136679, 2], [0.00031021183768285447, 1], [0.005108264067546905, 2], [0.005765714812140459, 3], [0.0007938347005296499, 1], [0.0, 0], [0.025487551809040273, 5], [0.0, 0], [0.0009301409644709569, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.004631907494663534, 1], [0.0, 0], [0.0006355558766113343, 1], [0.0, 0], [0.002678857884419988, 1], [0.0, 0], [0.0, 0], [0.1794406435482275, 1], [0.0, 0], [0.0, 0], [0.0010501762432328244, 1], [0.01974734211883004, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.005532873931767649, 2], [0.11441362635427582, 2], [0.0, 0], [0.0, 0]], [[0.0005523256146028562, 1], [0.0004967451071790559, 3], [0.009071979261626263, 2], [0.07826998721232045, 3], [0.00418283710282908, 4], [0.0, 0], [0.003405315104833695, 3], [0.010039684784013266, 2], [0.003914838729472413, 2], [0.01670787069549382, 1], [8.805964551720663e-05, 3], [0.0, 0], [0.0015896032209579743, 4], [0.000752816620555954, 1], [0.00015961580320062325, 1], [0.0008218762395695602, 3], [0.0005567352910846411, 2], [0.018075976085257822, 1], [0.00013764308872648597, 2], [0.00019049685858106062, 1], [0.020669294271150208, 5], [0.0003698614786489907, 4], [0.0011373252454305672, 1], [0.009912629917858235, 2], [0.000611647141878066, 1], [0.004169388547927631, 6], [0.0033947447847075788, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0026538684588477772, 3], [0.0, 0], [0.0, 0], [0.0023961461001413597, 1], [0.0, 0], [0.0, 0], [0.0008436689597311518, 2], [0.0, 0], [0.0, 0], [0.21870788794062254, 1], [0.016205406344067766, 4], [0.0374228954665831, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005655912827944351, 2], [0.0, 0], [0.002322843695628241, 1], [0.0, 0], [0.0058801593084607225, 2]], [[0.011882943491082406, 3], [0.05899872130063437, 12], [0.011913432952996655, 23], [0.0012632428559994494, 3], [0.0012769670894821116, 9], [0.03153164991093899, 13], [0.0005060840260443717, 1], [0.0005201498618142647, 6], [0.0005826954041519087, 1], [0.025074027749804724, 7], [0.32179033663818823, 8], [0.0006337526568382301, 1], [0.004242824934689805, 16], [0.010661481000393698, 9], [0.10371603681379983, 11], [0.002767366870267383, 10], [0.015765000920378962, 5], [0.028900216450863988, 11], [0.006214434031400545, 7], [0.018839816605990736, 3], [0.1512102787330488, 15], [0.025729890439134904, 20], [0.1285778891131544, 6], [8.603185760404093e-05, 2], [0.02104119796836703, 5], [0.02748980021649831, 15], [0.045682995888741584, 8], [0.0026687911837047565, 3], [0.000652476712595257, 1], [0.0, 0], [0.002503628419113105, 6], [0.012076502480466865, 4], [0.03221945231184341, 10], [0.09384407157367812, 7], [0.038465673107350266, 4], [2.1829005975236054e-05, 1], [0.0031396801843188286, 3], [5.638715192362978e-05, 1], [0.024311584331719236, 3], [0.009862155391591056, 5], [0.02430733248367463, 6], [0.0, 0], [0.03153988107656048, 3], [0.009823919847819461, 1], [0.005655130854304849, 3], [0.0022063295189996193, 1], [0.011624474069638834, 4], [0.03838295372094556, 5], [0.005840972381294719, 5], [0.002681897816747359, 2], [0.04412525479948959, 4]], [[0.0, 0], [0.0066343198082022565, 3], [0.0004826985464284501, 4], [0.00011771249759134221, 1], [0.006147740346476189, 3], [0.0011411000847347808, 2], [0.0016165525944028892, 1], [9.775392541637633e-05, 3], [0.0012932753880547528, 3], [0.0016525031433585599, 2], [0.0001286977825831204, 3], [4.7772132445209405e-05, 1], [0.0001364153272079073, 5], [0.0, 0], [0.0, 0], [0.0006549564631251022, 2], [0.0008229563246684772, 2], [0.019823064127853358, 1], [3.7113225186305226e-05, 1], [0.0, 0], [0.01344989515571945, 4], [0.003749647643702767, 5], [0.0, 0], [0.0006574019515027479, 3], [0.0, 0], [0.01306101258808499, 5], [0.0003555574959637784, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.00036956322544139575, 1], [0.033317110111913004, 1], [0.0, 0], [0.0, 0], [0.004082373241863116, 2], [0.0, 0], [0.0010789061030806722, 1], [0.0, 0], [0.0028758590519304553, 1], [0.00022331844130314487, 1], [0.035315808199929556, 2], [0.0009371286567051088, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.017728363401681827, 1], [0.0006011083572745812, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0027337967296139232, 3], [0.010805229571103966, 7], [0.0028411193798751812, 7], [0.0005899889197222499, 1], [0.0014687407605047536, 2], [1.2775339154215917e-05, 1], [0.0017952199095950057, 1], [4.791129833344636e-05, 1], [7.812763416429468e-05, 1], [0.0036701837754354342, 1], [0.00015573160958760375, 1], [0.0009014650242531474, 1], [0.0009483379663918155, 6], [0.0, 0], [0.0, 0], [0.0, 0], [0.00030383777684082306, 1], [0.005237139320947158, 3], [0.0010275414818674456, 5], [0.0009383042249919878, 1], [0.01412380809019764, 4], [0.0003119900828710749, 2], [0.0, 0], [0.0021905981810048953, 3], [0.004956024404079701, 2], [0.003824755251986803, 5], [0.0, 0], [0.0003350424957757864, 1], [0.0010145925572267605, 2], [0.0, 0], [0.0, 0], [0.007067051872261656, 4], [0.004164476579450257, 4], [0.00047530895214242363, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0038474541938675623, 1], [0.0018057547182507912, 1], [0.0003782799414036035, 1], [0.0014167376329763863, 1], [0.0, 0], [0.025860316492133915, 1], [0.0, 0], [0.0006282780392942301, 1], [0.002914581485182943, 1], [0.000674203078522964, 3], [0.000926506496932049, 2], [0.011478927746715465, 2]], [[0.0052579182514265735, 4], [0.0013699806177302645, 3], [0.0003870652777846712, 5], [0.00043501912195295064, 2], [9.916707837089908e-05, 1], [0.00024368103034770318, 1], [0.0, 0], [0.0, 0], [0.002671637801261682, 1], [0.0, 0], [0.0, 0], [0.000964454240692255, 1], [0.0010646135710130557, 5], [0.0, 0], [8.027014118308518e-06, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005778422726574206, 3], [0.0, 0], [7.713625470384131e-05, 1], [0.0009889516868928927, 6], [0.0, 0], [0.00012081740101500264, 2], [0.0, 0], [0.009728620365163107, 6], [0.007215819871504053, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0040388918683524275, 1], [0.0002905781706449063, 1], [0.00736521511544984, 2], [0.0017221464511107305, 1], [9.965681289391448e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0007435058038232481, 2], [0.17258309768743502, 2], [0.0, 0], [0.0, 0], [0.002847625679914543, 2], [0.0021010517533949246, 1], [0.0021459710984882696, 2], [0.005753075599371195, 1], [0.0004812678669103589, 2], [0.0015172871288201923, 1], [0.015205767303769204, 3]], [[0.0013800542426849667, 2], [0.012728693616089207, 6], [0.005349352488252967, 7], [0.00039738586587746667, 1], [0.011930815714522628, 8], [0.0004340731080793274, 2], [0.02922680021904822, 5], [0.001584876541361049, 5], [0.0007933213475442149, 2], [0.0007361567312835857, 1], [0.011263497654706788, 6], [0.0009754923547583541, 2], [0.00011171637009107206, 2], [0.0, 0], [2.6624999497466042e-05, 1], [0.006598900783582259, 7], [0.52564792144262, 6], [0.002997596088735993, 3], [0.0002258750415237909, 2], [0.5857766323253869, 2], [0.01535173121342343, 8], [0.42228986210263, 10], [0.0011908132251603027, 1], [0.001288347803552817, 2], [0.0006255848681093515, 1], [0.2402739206276594, 9], [0.005847702153972512, 3], [0.02045972351021683, 1], [0.0, 0], [0.0, 0], [0.0028023456123015575, 4], [0.0, 0], [0.016659530465570872, 1], [0.0, 0], [0.014309498185123923, 3], [0.0, 0], [0.10033778683845504, 7], [0.0, 0], [0.022024220088347646, 4], [0.0, 0], [0.08227623460906466, 5], [0.020091848770288846, 5], [0.0, 0], [0.0, 0], [0.0, 0], [0.018116867970204176, 2], [0.0017896155130396314, 5], [0.0, 0], [0.010323590542469938, 2], [0.0011689908418411657, 1], [0.0, 0]], [[0.0, 0], [0.0069583605030019155, 2], [0.000344222671873651, 2], [0.00012956376998717205, 1], [0.0, 0], [0.0007932128025083677, 1], [0.0, 0], [0.0, 0], [0.00022410693515904356, 1], [0.0, 0], [0.00018279639999825283, 1], [5.258182186751148e-05, 1], [5.2242927790621686e-05, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.019851351252083538, 1], [0.0, 0], [0.0, 0], [0.002443104209669368, 1], [0.0011930225095027817, 3], [0.0, 0], [3.2557055564919473e-05, 1], [0.0, 0], [0.001616346939312692, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.033364652975450534, 1], [0.0, 0], [0.0, 0], [0.0029745925510552998, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0004960412149216808, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005369549201813143, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.006908503155183362, 2], [0.0003205228443115526, 2], [0.00012828666091573468, 1], [0.0, 0], [0.0007933820520020038, 1], [0.0, 0], [0.0, 0], [0.00022189791484501613, 1], [0.0, 0], [0.00017113284767204904, 1], [5.2063523258985735e-05, 1], [4.951889551555155e-05, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.019855586976893803, 1], [0.0, 0], [0.0, 0], [0.0024190225505068995, 1], [0.0011658818114880104, 3], [0.0, 0], [3.223614092184167e-05, 1], [0.0, 0], [0.0015813354178680246, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.03337177206203559, 1], [0.0, 0], [0.0, 0], [0.00278479496276198, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00046439068643070396, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0005116398748062658, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.008488530058073372, 4], [0.0006760089742169525, 5], [0.0007702485971622931, 2], [0.0, 0], [9.198452634505383e-06, 1], [0.0, 0], [0.0, 0], [0.00048293752478898415, 1], [0.0006551444708306078, 1], [0.00922421820238264, 4], [0.027530608315279714, 1], [0.000471492966158652, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.11345326784023851, 3], [0.0001668903505278731, 2], [0.0, 0], [0.0023750448721693565, 2], [0.00011125404628388157, 3], [0.0006141559727985031, 1], [0.0, 0], [0.0, 0], [0.014620498680965342, 4], [0.009489563414941532, 1], [0.0, 0], [0.0, 0], [0.0, 0], [1.2719945218405102e-05, 1], [0.0003869115312951007, 1], [0.0014218826560091391, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.11750068119404167, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00018565243966911737, 1], [0.0013580148725103678, 1], [0.0, 0], [0.0, 0], [0.0005326596722098762, 1]], [[0.11921837741737686, 3], [0.00229493546293153, 5], [0.0007765208478535822, 6], [0.0, 0], [0.00026385557263791757, 2], [0.0008429680378192494, 4], [0.00042665543054757314, 1], [1.0299600383913035e-05, 1], [0.0, 0], [0.0, 0], [0.0004332394547446178, 5], [0.0, 0], [0.00013512121808966445, 4], [0.0013872477186957612, 1], [0.02484633189314218, 3], [0.00019306616569644822, 2], [0.0006366691046707921, 2], [0.0, 0], [4.187502133039772e-05, 1], [0.001518779205468941, 2], [0.0003405618976755357, 2], [0.0007239658920787336, 8], [0.0, 0], [0.0, 0], [0.005599711429565906, 1], [0.005059618283783566, 6], [0.005930308583950228, 2], [0.0004525021982120138, 1], [0.0, 0], [0.0, 0], [0.0003840526548800355, 2], [0.0022533663211383006, 1], [0.06219350393522526, 3], [0.003843854964594217, 1], [0.0006051084531610303, 1], [0.0, 0], [0.00041051357820909404, 3], [0.0, 0], [0.0, 0], [0.002724915164583311, 2], [0.006073654709297597, 1], [0.0005108978926040254, 1], [0.001913419644654613, 1], [0.12573965018277433, 1], [0.0, 0], [0.002647644136418803, 1], [0.000375366572663513, 3], [0.011470686687515158, 2], [0.02248997941255875, 2], [0.0, 0], [0.0, 0]], [[0.010532261494905756, 4], [0.025502685209963842, 11], [0.010656318284678215, 21], [0.0046389116926393815, 4], [0.0026694702697912147, 11], [0.05699612472380787, 11], [0.029456177476965772, 4], [0.001985379345613828, 5], [0.0005265813107515257, 5], [0.016692163985707983, 5], [0.15092951638007948, 15], [0.027311240681012972, 4], [0.004413846123796099, 20], [0.003036713253217046, 6], [0.08088792564439248, 6], [0.003143867157154929, 8], [0.003020802355122952, 4], [0.11507655708078803, 10], [0.0014980303695066772, 8], [0.0006305173697202691, 2], [0.052977043046154484, 18], [0.017146586735050623, 14], [0.034216785360497125, 6], [0.00035424659261825895, 2], [0.00405909745631432, 2], [0.025742755810151882, 17], [0.05679078846936427, 9], [0.003050887999108082, 1], [0.0, 0], [0.0, 0], [0.0026649180593902875, 6], [0.0006914723698489917, 2], [0.009579557214440919, 6], [0.0769387737847929, 3], [0.0002749658333801437, 1], [0.007843365851444403, 4], [0.0016700307917531497, 8], [0.0007409492317277442, 1], [0.030896867334283838, 4], [0.12485066660322018, 5], [0.0027272563705730227, 3], [0.007720890011590334, 4], [0.013312230970068261, 2], [0.003393862334819475, 4], [0.0006292338114589696, 1], [0.005114873822536314, 1], [0.004283814284045715, 7], [0.012218124686542367, 4], [0.0037205878171341624, 4], [0.007787767109952198, 3], [0.001444903041594898, 1]], [[0.0, 0], [0.000520832086504407, 4], [0.0003550087540679948, 2], [0.01825038523062619, 2], [0.004282960650644456, 3], [0.0, 0], [0.0017900329073703863, 1], [0.0002452156460064661, 1], [0.012800879271968452, 1], [0.0010071656422521382, 1], [0.0005423620368543722, 5], [0.0005822911448961876, 2], [0.0021940118619574868, 4], [0.0, 0], [0.0, 0], [0.008268088772959826, 3], [6.118395818485613e-05, 1], [0.0, 0], [0.0004423820817588279, 2], [0.0195473279514451, 1], [0.001441555895719899, 3], [0.0015788634111821198, 5], [0.004741282203074953, 2], [0.0001382321136960851, 1], [0.0, 0], [0.09066742219874081, 8], [0.0005411460514899519, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0028249357792715147, 1], [0.0, 0], [0.000165714867146782, 1], [0.0, 0], [0.0009633697259820199, 1], [5.6833641261951556e-05, 1], [0.008313136555356189, 2], [0.0, 0], [0.0, 0], [0.0001606509399498607, 1], [0.15784827156547146, 3], [0.04002179046133766, 2], [0.0, 0], [0.037019311237820776, 1], [0.0, 0], [0.0, 0], [0.00045713942098661554, 2], [0.0, 0], [0.0, 0], [0.06412766365730299, 1], [0.0, 0]], [[0.0, 0], [0.008224579512454129, 3], [0.0006788374782828503, 5], [0.0008747841261365619, 2], [0.0, 0], [1.2068155143997967e-05, 1], [0.0, 0], [0.0, 0], [0.0005699282861691635, 1], [0.0007731545930642678, 1], [0.009502415839737694, 4], [0.02752685777593034, 1], [0.0004109369964806437, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.11354118870042104, 3], [0.00018452505974410422, 2], [0.0, 0], [0.0026200509906319273, 2], [0.00012462212374711416, 3], [0.0008747402676976604, 1], [0.0, 0], [0.0, 0], [0.014651413377589914, 4], [0.010208042097568764, 1], [0.0, 0], [0.0, 0], [0.0, 0], [1.4435016993736201e-05, 1], [0.0005076188976780199, 1], [0.0016174037158514644, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.11748467388598115, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0001973488087094462, 1], [0.001541120454989789, 1], [0.0, 0], [0.0, 0], [0.0005662179928555471, 1]], [[0.0, 0], [0.019026492650261906, 7], [0.0025461137054101734, 7], [0.022459626154310793, 8], [0.0029852382380150676, 6], [0.0010426229569414191, 2], [0.01975692639656424, 5], [0.000260296990373599, 3], [0.0004349787502845146, 5], [0.013531053307538224, 1], [0.000618181847653669, 7], [0.0002851748226966252, 2], [0.00014522234649396495, 5], [7.573054206443814e-05, 1], [3.5591875817929727e-06, 1], [1.9031325610778128e-05, 1], [0.028004460431040965, 2], [0.015912396320679215, 1], [3.169316770984762e-05, 1], [0.005407861704204264, 4], [0.0036642778104723404, 7], [0.019041875269554028, 13], [0.014817375557132422, 3], [0.0004368421626446863, 1], [0.0, 0], [0.0067801914963945215, 15], [0.006325140128605684, 5], [0.0036677899388664445, 1], [0.04411148813226952, 2], [0.0, 0], [0.0003093406236030535, 2], [0.0009667290009490278, 2], [0.017052026109760185, 5], [0.004215337559296953, 3], [0.1034867151296582, 3], [0.001150262961700103, 3], [0.001121946937497233, 5], [0.0, 0], [0.013809284560062694, 2], [0.00485045899621757, 2], [0.007651506419014694, 8], [0.02989187090585158, 9], [0.0, 0], [0.0028088878564781193, 1], [0.01603956454013903, 3], [0.03918096716223392, 6], [0.0010235305931830256, 3], [0.0, 0], [0.0008639115080677477, 2], [0.0, 0], [0.0010880364340592583, 2]], [[0.0, 0], [0.0166648311360702, 6], [0.0245328844375179, 8], [0.004415509622000577, 2], [0.00035862828668581555, 2], [0.0006920038659343656, 3], [0.0, 0], [1.947523936881948e-05, 1], [0.00016166242333329601, 2], [0.031414061562601424, 1], [0.008373036453013977, 7], [0.02630058009486788, 1], [0.00038954326094763303, 5], [0.00023115636988238613, 2], [2.3756729582887852e-05, 1], [0.00025505454878517274, 1], [0.0006581360034030733, 1], [0.1118713282705665, 2], [4.929401230787001e-05, 1], [0.0, 0], [0.01055797721902606, 4], [0.001063186035782301, 4], [0.005352299250762637, 1], [0.00027952833602328783, 3], [0.0, 0], [0.021719301112742322, 5], [0.011174251318442728, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0002511721562909857, 2], [0.006605345552071595, 1], [0.0, 0], [0.0, 0], [0.0033959323373820107, 1], [0.0, 0], [0.0006549951851202338, 1], [0.0, 0], [0.0, 0], [0.11893098041466886, 3], [0.01148451152453248, 1], [0.0014507823865418524, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.002064746558253729, 4], [0.0, 0], [0.0009846594965516407, 1], [0.0, 0], [0.0, 0]], [[0.005093293163133429, 2], [0.0074988823039261075, 8], [0.005349323838798066, 9], [0.0009155857584585872, 3], [0.009436552336170915, 5], [0.00999334629563361, 3], [0.005254805920907731, 4], [0.016255893683566905, 5], [0.0001424642085517009, 2], [0.0022396823548583035, 1], [0.0010355723705609884, 5], [0.014834995291884463, 2], [0.0021563070253294444, 8], [0.00106253323409229, 3], [0.0006016555952000918, 2], [0.0006513718708011957, 2], [0.0015320319564612532, 4], [0.029249939628814933, 3], [0.0005719333939550081, 4], [0.0014559431167876996, 1], [0.0074689470862909415, 8], [0.01583879176589757, 9], [0.0, 0], [0.0016275163823396227, 6], [0.0, 0], [0.0025804642814649258, 8], [0.005295154481784928, 4], [0.00122387017303063, 2], [0.0, 0], [0.0, 0], [0.0007899678904493201, 4], [0.03307191391285857, 1], [0.0005292530594261586, 1], [0.0020831099077107786, 2], [0.004950495415305026, 2], [0.0, 0], [0.015130628728481123, 5], [0.0, 0], [0.003190841846496501, 1], [0.0002760013799679793, 1], [0.0003037097646611705, 1], [0.018218302377555593, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.007718894487940362, 2], [0.0011307884996015112, 6], [0.0, 0], [0.0008419981983116106, 2], [0.0008412422307166727, 1], [0.0017082887666862547, 1]], [[0.0026264086634558434, 2], [0.008286630886707337, 7], [0.0033943606602516068, 8], [0.002131249229661921, 2], [0.01050689204071707, 3], [0.007095645314295446, 3], [0.002617667173054907, 3], [0.0003874994918383389, 3], [2.2592541283546643e-06, 1], [0.0013079073248767094, 1], [0.0007578226465534255, 4], [0.0, 0], [0.0016273644398789317, 6], [0.0021473724788292686, 2], [0.0, 0], [0.0005834140408339282, 1], [0.00025795142746217034, 2], [0.022745810597367952, 2], [0.00035167215563407955, 2], [0.0033582823640233832, 1], [0.006555304739992364, 6], [0.008623614706245548, 7], [0.0006516366912708967, 1], [0.0008641019090619498, 3], [0.0, 0], [0.0015314814436082618, 5], [0.0027392098935293506, 1], [0.0017088914967247455, 2], [0.001950329761521746, 1], [0.0, 0], [0.00040538692083767427, 2], [0.033044955525321384, 1], [0.0002882171896806197, 1], [0.004023081924763386, 1], [0.0030830376458887035, 1], [0.0, 0], [0.01017481529896044, 4], [0.0, 0], [0.002036722599300813, 1], [0.0005141254518953713, 1], [0.0, 0], [0.021851852356148654, 2], [0.0, 0], [0.0006867553919009102, 1], [0.0, 0], [0.007515348269234088, 3], [0.0009701049624278848, 4], [0.0, 0], [0.00041423245377310573, 2], [0.0019404116237182933, 1], [0.0, 0]], [[0.006120770615153186, 1], [0.24001108056690446, 19], [0.014859408255049854, 22], [0.002523953404361324, 4], [0.00585540809966109, 9], [0.03895521319302973, 9], [0.3025283295712756, 7], [0.00016440708795230553, 5], [0.0002575556611002878, 2], [0.05424913682465639, 6], [0.0024132859013112126, 8], [0.002536989726341248, 3], [0.01462145174960384, 17], [0.00524029038950795, 7], [0.02105835534602365, 9], [0.0018013695556125572, 11], [0.012247626201033961, 6], [0.005346141586226192, 7], [0.007541485551859032, 8], [0.01545025541823437, 4], [0.015262642382833425, 17], [0.017847337589992934, 18], [0.01260280977091291, 4], [0.00011881946354607815, 1], [0.00833447286209066, 2], [0.04490589658128214, 18], [0.3282707805775684, 7], [0.0016840195735474304, 3], [0.0006759902301308574, 2], [0.0006386642312405144, 1], [0.001781772564112677, 4], [0.07862827143619897, 7], [0.1128870518208247, 14], [0.06390921285276603, 11], [0.036292577512834726, 5], [0.0016401131723690465, 5], [0.002982425388970384, 4], [0.0007120432218139183, 1], [0.004593700741696365, 3], [0.04388178766256624, 6], [0.006166797960921374, 6], [0.02983062808728487, 3], [0.3305281148374125, 4], [0.008205284240866507, 2], [0.0, 0], [0.0, 0], [0.09525157976370839, 7], [0.013717784318986685, 4], [0.0055390733252920045, 6], [0.015406852608777473, 5], [0.00025345384793117265, 1]], [[0.022958054333729393, 1], [0.007670321671696306, 7], [0.0019556408082158578, 8], [0.0025428818263383145, 4], [0.0013620199733576865, 4], [0.0016429282226873446, 2], [0.03324702169574464, 4], [0.008480141825408129, 4], [0.01159397043297898, 4], [0.003315371942627972, 2], [0.0016620731690605104, 7], [0.0084561496275294, 4], [0.0013330815219642455, 7], [9.01643374258173e-05, 2], [0.0003148592536920588, 2], [0.004848414196803924, 5], [0.02438623348045409, 3], [0.020436450397556802, 2], [0.001121698497449846, 5], [0.012134737368178165, 1], [0.03500474812034659, 10], [0.0035900346148002183, 12], [0.000934219111769071, 1], [0.0015756509912992689, 6], [0.0, 0], [0.02350751197317608, 13], [0.04297210257763231, 3], [0.0, 0], [0.0004517445531935716, 1], [0.0, 0], [0.0014726457346401556, 3], [0.027132200117171226, 1], [0.00019667549815741595, 1], [0.0006628058439116025, 1], [0.0062154539892890995, 1], [6.745191243096772e-05, 1], [0.008654828154385714, 5], [0.0, 0], [0.0, 0], [0.0010364852648618952, 1], [0.0243793365232433, 3], [0.004132785753266954, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.07280604312638708, 3], [0.00224307087417283, 7], [0.0, 0], [0.0035366327683709242, 1], [0.0, 0], [0.0021901126964596154, 1]], [[0.0, 0], [0.008700394363458213, 2], [0.000768314608123054, 3], [0.0013251517099259747, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.011941286134574501, 1], [0.0004782157152880956, 1], [0.01590504471397848, 3], [0.027519246915071474, 2], [0.0006761691527245511, 3], [0.0, 0], [0.0, 0], [0.00017789431738294762, 1], [5.5364271125309934e-05, 1], [0.1127865663697137, 1], [0.0002962747049593475, 2], [0.0, 0], [0.0060648396920656945, 2], [0.00028535946566074803, 1], [0.0013684045913589966, 1], [0.0, 0], [0.0, 0], [0.01490596490963949, 3], [0.02593715078511436, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.11728966790995388, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0009035000976233971, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0022539562759815238, 1]], [[0.0, 0], [0.008373254942805372, 2], [0.0006542259651006171, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0051212459799665055, 2], [0.027522042802465358, 1], [0.000431462312953717, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.11295432415594091, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.014406968723683085, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.11746412357137903, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.011895696349139024, 2], [0.00876126677525081, 5], [0.006163925588486178, 7], [0.0008746044112698042, 3], [0.0013119681438026492, 5], [0.0012934651286392606, 4], [0.01207620796640519, 3], [0.1407324616115406, 4], [0.0009986492030941343, 2], [0.000838130376460732, 1], [0.0007903352311074541, 4], [0.13265417183938005, 5], [0.004424961709946676, 7], [0.000990921156859781, 2], [0.005329438118072131, 3], [0.002427082100416735, 3], [0.0020955547321844094, 2], [0.09290984202786626, 5], [0.002239221290743695, 5], [0.0, 0], [0.012103853882501667, 8], [0.002702453735514141, 8], [0.0014517311072032029, 2], [0.0012830636136984986, 5], [0.0, 0], [0.012690711108996864, 8], [0.029171938082805448, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0011372362634169894, 4], [0.0317293629140383, 2], [0.0, 0], [0.0, 0], [0.004179895962057496, 1], [0.0, 0], [0.08592993233869922, 5], [0.0, 0], [0.008728168785698138, 1], [0.0006970368666221682, 1], [0.015931776260950586, 2], [0.01351961103663567, 3], [0.0, 0], [0.00028245113653087756, 1], [0.0, 0], [0.04122592272296261, 3], [0.003695856750682458, 4], [0.0, 0], [0.0023933327763136945, 2], [0.0, 0], [0.0008693689306331633, 2]], [[0.0, 0], [0.009026871678085167, 3], [0.006363404144244566, 5], [0.0013190765696900531, 1], [1.7564725155590086e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.01809120856737049, 1], [0.00487661773686923, 2], [0.027476741502709952, 1], [2.7230872495736512e-05, 1], [0.00014065566176070334, 2], [1.6915652089683533e-05, 1], [0.00013714867987484785, 1], [0.0, 0], [0.11276840126736815, 1], [3.509912252000918e-05, 1], [0.0, 0], [0.00010972055811062064, 1], [0.0, 0], [0.0, 0], [1.4909848941276873e-05, 1], [0.0, 0], [0.014297502403275599, 1], [0.00048557519112172844, 1], [0.00031851609957194566, 1], [0.0, 0], [0.0, 0], [1.9092044962542437e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.11727077755013324, 1], [0.0, 0], [0.0010330096161998562, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0004612112964615416, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.017951035315590818, 1], [0.05225925930515654, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.05482787796429881, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.12293170145864117, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00024136887466642788, 1], [0.0, 0], [0.0, 0]], [[0.027707209069210745, 4], [0.012359194839209995, 14], [0.009082422567177534, 17], [0.0031031341545247992, 4], [0.020358487102858393, 10], [0.033417432584046704, 6], [0.014390358693055699, 7], [0.002101372012054142, 6], [0.0008518838733206021, 6], [0.008145733153285862, 4], [0.14093053319713594, 11], [0.0012841171049858219, 4], [0.0065557356361266046, 18], [0.001325768658317136, 6], [0.00390757792178741, 4], [0.000948554148150439, 5], [0.008737626749490891, 7], [0.019482702617890844, 5], [0.0005046026001340962, 6], [0.0035523747131182685, 6], [0.07604828968895119, 19], [0.0966443262074425, 21], [0.01027168030636595, 4], [0.002949291498457527, 7], [0.0, 0], [0.0131853144674146, 22], [0.01880082937530328, 8], [0.004213070502957698, 3], [0.0, 0], [0.0, 0], [0.0023181778996080172, 5], [0.03518349409212415, 4], [0.015623558210718858, 4], [0.0013636917368994724, 2], [0.012465921958191576, 4], [0.016802445697808695, 5], [0.01786089724803958, 9], [0.0, 0], [0.014532433670301104, 3], [0.005002375283751351, 4], [0.006017745738316872, 4], [0.027520882544383885, 11], [0.003402853341922662, 1], [0.0011502067506877912, 2], [0.009248302389603674, 1], [0.026549113741934086, 5], [0.0026138256115853208, 10], [0.0009648763360889469, 1], [0.003209828214230439, 3], [0.0004918041057039416, 1], [0.0005904950545986996, 1]], [[0.0008404891599209038, 2], [0.015366427054415726, 9], [0.027646431234040418, 10], [0.0, 0], [0.11080112185469791, 7], [5.876128402175429e-05, 2], [0.014196238123722936, 6], [4.414747305374918e-05, 1], [0.0006786832022871778, 5], [0.0007348387453323091, 1], [0.0031425253963282755, 8], [5.262463249526638e-05, 3], [7.171820411508475e-05, 3], [0.00014197307176979385, 1], [6.094905211580249e-05, 1], [0.003972988063247188, 3], [0.02857728051042304, 7], [0.05462467041480543, 5], [0.00045933824675438656, 4], [0.07040236490816787, 4], [0.071098936529747, 6], [0.003580075616204402, 11], [0.017793397092136762, 3], [0.00010977910201366979, 2], [0.0, 0], [0.01515129698245506, 9], [0.012101478482663712, 4], [0.0, 0], [0.0, 0], [0.0, 0], [6.879084750914934e-05, 1], [0.0021121703958863116, 2], [0.008264547002006717, 1], [0.0009001823345053539, 1], [0.06025823186629855, 3], [7.939548927596642e-05, 2], [0.1504224620647863, 3], [0.0, 0], [0.012424303069591306, 3], [0.0, 0], [0.004511890940951744, 4], [0.0170315498511448, 4], [0.0026442224422825837, 1], [0.0, 0], [0.004324817203261474, 1], [0.0, 0], [0.001631898440786008, 3], [0.0020488444104905627, 1], [0.0015418689799253484, 1], [0.035278456400153375, 3], [0.00042036150191935033, 1]], [[0.0, 0], [0.000934672033381419, 4], [0.0, 0], [0.0007769361067929682, 1], [0.013145341436329762, 2], [0.0, 0], [0.00030405336733337074, 1], [5.3045300883723553e-05, 1], [0.0008294195742549157, 1], [0.0, 0], [0.0016364441761170627, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [7.469388364154427e-05, 1], [0.08361034405643805, 3], [0.00028937964281465636, 1], [3.1439947866505624e-05, 1], [0.0, 0], [0.0006664086483364253, 3], [0.019164273614601827, 5], [0.0004516902484406238, 1], [0.0, 0], [0.0, 0], [0.08002687664756047, 5], [0.0019909702589468825, 3], [0.0, 0], [0.004865357159938794, 3], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0012903639368095211, 2], [0.0019646854155914214, 1], [0.0, 0], [0.0006516316811891111, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0007120962568075304, 1], [0.05835452697046939, 5], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [9.133805815141009e-05, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.00047223169008053686, 1]], [[0.0003373152451760519, 1], [0.0015404164411344835, 3], [0.1724402539509388, 3], [0.06944433495844549, 3], [0.0029370104060746642, 4], [0.0, 0], [0.009124811977997535, 2], [0.09501544384657058, 2], [0.01626693498042195, 2], [0.22304425329251695, 2], [0.0005792537230837997, 3], [0.14363925135187192, 4], [0.0008356873864496686, 3], [0.0009723295490329124, 1], [0.0035079847492672234, 2], [0.013998371762195249, 5], [0.008415441444472588, 3], [0.13093869154565083, 4], [0.0005518994101314386, 2], [0.002535481449501437, 1], [0.013366272231095492, 8], [0.005950807398878223, 5], [0.016583111380878673, 5], [0.0026333413508645358, 3], [0.0, 0], [0.010410885504248827, 8], [0.018148621984905643, 1], [0.0, 0], [0.0019179862034291466, 1], [0.0, 0], [0.0019281382039887628, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.024685061872595858, 1], [0.0, 0], [0.055252163193108286, 5], [0.0, 0], [0.01807927173911048, 1], [0.0, 0], [0.022789253889603324, 4], [0.28453279620085864, 5], [0.0, 0], [0.001014201736631836, 2], [0.0, 0], [0.036246965020151824, 3], [0.0023317725089292848, 3], [0.0, 0], [0.013186761486960854, 1], [0.0, 0], [0.0, 0]], [[0.08785946329069168, 1], [0.017130635688302823, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.106955576332115, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0010796621524616413, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.013424996392221729, 1], [0.0, 0], [0.00464138647373451, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0023137554487817446, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.003978331771710726, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.01244221331628061, 2], [0.02597772654935966, 1], [0.0, 0]], [[0.0008786590105876754, 1], [0.016009040742879635, 12], [0.024587508831652418, 10], [0.0, 0], [0.10990086121723486, 9], [3.931228823666546e-05, 1], [0.019529901666701915, 6], [0.00011391328486880024, 3], [0.0003355154794794334, 4], [0.004084973252805905, 1], [0.0031666555716419785, 8], [0.00048261969790712244, 4], [0.0007045263087587881, 2], [4.578493985328617e-05, 1], [1.9655478679517713e-05, 1], [0.019509961567781935, 3], [0.03558559761313155, 5], [0.05415895029620663, 5], [0.002155819335342867, 5], [0.07760394180823907, 5], [0.07194748446275383, 5], [0.00819960150049606, 13], [0.02827874034279647, 3], [4.9954433180944284e-05, 2], [0.0, 0], [0.02392423110544293, 10], [0.014659598723735744, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.0002463724686854077, 3], [0.011650143657994808, 4], [0.008653971629428348, 3], [0.0009155549566084881, 2], [0.07110924948412274, 5], [5.3554676163269556e-05, 2], [0.14985215389167542, 6], [9.61403813142405e-05, 1], [0.009395681687878025, 2], [0.0, 0], [0.016166201518544837, 6], [0.02442648652837525, 4], [0.0029621224946821817, 1], [0.0026282931321620507, 2], [0.005379439994680448, 1], [0.0, 0], [0.012821984477302656, 5], [0.0, 0], [0.0017753082666530518, 1], [0.033182244206666815, 2], [0.0, 0]], [[0.0028462254073420954, 2], [0.007412203137050769, 6], [0.010322504510169406, 13], [0.0, 0], [0.009263424635602903, 7], [0.0007332918140686704, 3], [0.019325583220486414, 3], [0.003650540096036475, 4], [3.4853642397306675e-05, 2], [0.007113951719024183, 3], [0.008488400153023962, 9], [0.00021174642476237812, 2], [0.0012316195795751604, 4], [0.00028650663388019417, 1], [0.035250091928527995, 5], [0.011927274287801012, 3], [0.012906956889920341, 4], [0.005002497561142903, 5], [0.0011286022809757258, 3], [0.010133845980320164, 4], [0.021182809090081123, 11], [0.007198135377358884, 9], [0.011279139626804375, 3], [8.414030302360346e-05, 2], [0.0, 0], [0.010591224019978833, 11], [0.03004887099770809, 4], [0.0, 0], [0.0, 0], [0.0, 0], [3.8245798453007423e-05, 2], [0.009288993146784027, 2], [0.014476995174137587, 4], [0.0008467333495232022, 2], [0.015656710906880457, 4], [4.39553898541674e-05, 1], [0.007370599775289003, 7], [0.0, 0], [0.04980203064468688, 3], [0.02638882363414195, 2], [0.01632105924390502, 8], [0.06283684290728687, 6], [0.0138636557210637, 2], [0.0041122972922527645, 2], [0.0, 0], [0.04083316906575874, 2], [0.013114148049824574, 4], [0.0, 0], [0.00020074306583142736, 1], [0.0005821470296255015, 1], [0.0, 0]], [[0.0, 0], [0.013139300399643157, 7], [0.02254885324085202, 8], [0.0, 0], [0.11054659525393065, 7], [0.006527337945146255, 4], [0.014191226206710374, 5], [4.5501464025632965e-05, 1], [0.0006114403227810855, 4], [0.0, 0], [0.004713802543469664, 7], [2.697299629754595e-05, 1], [3.244802939224595e-05, 1], [0.00013588418061960262, 1], [9.029606104940394e-05, 2], [0.0011720361221754815, 3], [0.051880485876650374, 4], [0.053915781571320785, 4], [0.00012104236252827363, 1], [0.09833601701735871, 4], [0.0713617870055506, 7], [0.006038769542555725, 9], [0.01423734424914007, 1], [8.296969594430481e-05, 2], [0.0, 0], [0.024113000054468692, 8], [0.016605063026776393, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.003398651317730386, 3], [0.002176338258264697, 2], [0.011646027393292348, 2], [0.0010984276420077453, 2], [0.059560978457834805, 3], [0.0, 0], [0.15079752970968363, 4], [0.0, 0], [0.005137487633385974, 1], [0.0, 0], [0.010741050168837382, 6], [0.016999969655095922, 4], [0.0, 0], [0.0, 0], [0.004575147842744996, 1], [0.0, 0], [0.0013678939208904381, 2], [0.0, 0], [0.0015668666878803266, 1], [0.03317748124687647, 1], [0.00032889835509201075, 1]], [[0.0025822989125607082, 2], [0.022510347371178154, 17], [0.019019844227794867, 16], [6.228209218004353e-05, 1], [0.04474723393469712, 9], [0.001608524886189174, 8], [0.008263740434670158, 4], [6.56998821265265e-06, 1], [0.00929573107661326, 5], [0.002068146531565039, 3], [0.06518246534446802, 5], [0.0040798801323722635, 3], [0.023935236241283773, 11], [0.0005919316398732749, 3], [0.0004585576191339374, 2], [0.009183478251906964, 5], [0.007931006728625135, 10], [0.014742918967756915, 4], [0.02114361891785342, 11], [0.003979329907191537, 3], [0.011135228762370294, 12], [0.033203509134785425, 18], [0.027316390102293673, 5], [0.01199457023443377, 9], [0.02714227769520051, 4], [0.01649995176697675, 18], [0.2348918036086256, 8], [0.001568508969067526, 2], [0.004050669440181905, 1], [0.0022035821992615334, 2], [0.00010496742516856382, 1], [0.02842121914915506, 4], [0.022927206303066744, 7], [0.017070322757983886, 3], [0.017125830357196437, 2], [0.0003254251459392363, 3], [0.0, 0], [0.0023271218532287053, 2], [0.02739858615081648, 3], [0.029356031715373005, 5], [0.0584672186444203, 5], [0.012784646582296314, 4], [0.04468167142602855, 4], [0.0001062167193723575, 1], [0.004854522484008344, 2], [0.00995837967310612, 1], [0.07386760517124663, 7], [0.02478463672110979, 4], [0.02210712475922452, 5], [0.011266123056708235, 5], [0.04486066365871248, 3]], [[0.0, 0], [9.497759961969082e-05, 1], [4.390739463977889e-05, 1], [0.0540108802989777, 4], [0.0, 0], [0.0, 0], [0.0, 0], [1.1138854423893423e-06, 1], [0.00039726452140851005, 1], [0.0, 0], [0.0, 0], [5.290386531271891e-05, 1], [0.0012756097229140947, 3], [0.0, 0], [2.9772422759914336e-06, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00010281414987456126, 1], [0.00019647228938267337, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.009791553862873316, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.005698946423942687, 1], [0.0, 0], [0.0, 0], [0.0, 0], [3.554888967956026e-05, 1], [0.0, 0], [0.0, 0], [0.03071365443904412, 1], [0.04724540733083101, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.14452459002891235, 1], [0.0019452263682087625, 1], [0.016619830337829513, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.047684336363744764, 1]], [[0.0, 0], [9.605367883596133e-05, 1], [4.124981939428066e-05, 1], [0.05389738004024567, 4], [0.0, 0], [0.0, 0], [0.0, 0], [1.1265055652252634e-06, 1], [0.0003878878565968284, 1], [0.0, 0], [0.0, 0], [5.3503256644478665e-05, 1], [0.0012723520890474775, 3], [0.0, 0], [2.7970392501130234e-06, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00010397901580359659, 1], [0.00018458044526453675, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.009776282691123987, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.005354007284056454, 1], [0.0, 0], [0.0, 0], [0.0, 0], [3.339722821131736e-05, 1], [0.0, 0], [0.0, 0], [0.029988717709744324, 1], [0.0472542276840196, 4], [0.0, 0], [0.0, 0], [0.0, 0], [0.14452637381616495, 1], [0.0018274879898455304, 1], [0.016620035467223, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.04768492490519183, 1]], [[0.0, 0], [0.0, 0], [0.0, 0], [0.007442389719696701, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.995253153453804, 1], [0.04166629251853951, 2], [0.006868078856844641, 1], [0.0031737462581695347, 1], [0.04514131624669475, 1], [0.0, 0], [0.0, 0], [0.019423257076924688, 2], [0.005275752136629045, 2], [0.0, 0], [0.000794079517749376, 1], [0.0, 0], [0.007035531003508021, 1], [0.0013397587325738242, 1], [0.11405044393061382, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0011258632359483851, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.00982722501421635, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.0, 0], [0.0, 0], [0.007441461499450586, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.9951290247583393, 1], [0.04179722752253528, 2], [0.0068672222650660655, 1], [0.003173350426233313, 1], [0.04513568618897746, 1], [0.0, 0], [0.0, 0], [0.019766710429593395, 2], [0.005324861284926185, 2], [0.0, 0], [0.00079398047957573, 1], [0.0, 0], [0.00703465352697621, 1], [0.0014404041090846308, 1], [0.11403621947649062, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0012104403516086156, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.009825999355581842, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0002694737883312142, 1], [0.006175036221334109, 2], [0.004730671174696972, 3], [0.2905090298183795, 5], [0.0, 0], [0.0007786069695307855, 1], [0.0005160257799646218, 2], [0.00038736811468175473, 3], [0.004167449964456371, 2], [0.0, 0], [0.0, 0], [0.002043269072734401, 2], [0.0007317319771959746, 4], [1.9838321402668794e-05, 1], [8.801820482468617e-06, 1], [9.255871433471165e-05, 1], [0.0, 0], [0.00027188763979513214, 1], [4.4947603414879724e-05, 1], [0.009400379409723776, 2], [0.005755388742032419, 5], [0.0007186188027915625, 4], [0.0002820277712237843, 1], [0.0021840777388529727, 3], [0.0, 0], [0.0021623907785408305, 3], [0.0, 0], [0.0007283436921234106, 1], [0.0008441009586501761, 1], [0.0, 0], [0.0002073559764999649, 1], [0.0, 0], [0.0007416252801498897, 1], [0.0, 0], [0.00015068661266851979, 1], [8.813547345301928e-05, 1], [9.26696450737907e-05, 1], [0.0, 0], [0.001547967118838771, 1], [0.0, 0], [0.05550228874171714, 5], [0.02125475011618532, 3], [0.0, 0], [0.011654725377056363, 2], [0.048940875059941075, 1], [0.09674974767603109, 4], [0.00012831189436302386, 1], [0.0, 0], [0.0, 0], [0.01967432143668846, 1], [0.01205243016929935, 1]], [[0.0023135823935159366, 4], [0.005962405101607889, 3], [0.004500417483116905, 5], [0.29457761231941254, 5], [6.06340812854675e-05, 2], [0.0006948984533266634, 1], [0.0007187196610315783, 2], [0.001696224336237004, 4], [0.004199029365250834, 3], [0.0, 0], [5.80297555852376e-05, 2], [0.002157838608906188, 2], [0.0006784306910464165, 5], [2.6175190827127028e-05, 1], [5.3148579647693586e-05, 3], [0.002344175993704721, 2], [0.0, 0], [0.0007030269709451109, 2], [6.932179507489616e-05, 2], [0.009409539133589516, 4], [0.007853290243932564, 8], [0.0004251026224145782, 3], [0.004851525009980412, 3], [0.002316715000724008, 4], [0.0, 0], [0.0024536891814221423, 5], [0.0, 0], [0.0, 0], [0.0009568700243380552, 1], [0.0, 0], [1.2682782292908576e-05, 1], [0.00035372089119100686, 1], [0.0, 0], [0.0, 0], [0.00019532961465025935, 1], [0.0007449280704076819, 1], [0.0006070307887188872, 3], [0.0, 0], [0.008405179318406656, 2], [0.0, 0], [0.06059234768905473, 5], [0.04007587841437244, 7], [0.0, 0], [0.011192609898471699, 3], [0.05007411887473937, 1], [0.11083177441713818, 4], [0.00041472952800485167, 2], [0.0, 0], [0.0002443181917148464, 1], [0.018417594020478472, 1], [0.010756665957563824, 1]], [[0.0, 0], [0.0, 0], [0.015590543256883976, 2], [0.04566648744942041, 1], [5.931306182041711e-06, 1], [0.0, 0], [0.03353471802351476, 2], [0.0, 0], [0.0016641176911516493, 1], [0.011667998101389831, 2], [0.00013501455706461823, 2], [0.0005641822404665421, 1], [0.013565745106156183, 3], [0.0022081590773529217, 2], [0.0, 0], [2.755827193743529e-05, 1], [0.0, 0], [0.0007386957430155464, 1], [0.004966786726868895, 2], [0.0, 0], [0.0, 0], [0.0010661461087560196, 2], [0.0, 0], [0.001063292846857611, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.000606881881809848, 1], [0.002186896434193792, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.12865769017257328, 1], [0.028190890883599714, 4], [0.0005044163468766756, 1], [0.0, 0], [0.0, 0], [0.002886337967280529, 1], [0.0559715028711476, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0002158797917780897, 1], [0.00620360880796666, 2], [0.0, 0], [0.0007355365822429641, 3], [0.0, 0], [0.0007942591768873767, 1], [0.0, 0], [0.00010209303249019821, 2], [0.00019287244985231734, 1], [0.0, 0], [0.0, 0], [0.00016324733223990588, 2], [9.721355793156336e-06, 1], [0.0, 0], [0.0, 0], [4.652016835129338e-05, 1], [0.0, 0], [0.019877538355056665, 1], [0.0, 0], [0.0, 0], [0.0021026011257930747, 1], [0.0008375181541441654, 3], [0.0, 0], [2.8019476783829662e-05, 1], [0.0, 0], [0.00126319178728046, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.033408666281750724, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.00022237422701605942, 1], [0.0, 0], [0.0, 0], [0.002265272552324613, 1], [0.0, 0], [0.000234866112352408, 1], [0.0009646911431102235, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0001427118212822249, 1], [0.0015640758643172626, 1], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.0, 0], [0.0, 0], [0.027845060459883365, 1], [0.0005869184307697094, 1], [0.0, 0], [0.0, 0], [0.002177606309783109, 1], [0.0011879375171201744, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.00024257932792313028, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.029015752159248828, 1], [0.012882620708157606, 1], [0.09087822963404141, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.016369110194600803, 2], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0009837491848604097, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0010871277430062854, 1], [0.006379222433724256, 2], [0.0, 0], [0.0, 0], [0.07844880045683728, 1], [0.003552995338630374, 1], [0.00675497126450081, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]], [[0.0, 0], [0.020492592767589624, 1], [0.0004882302811255579, 1], [0.03692178564115823, 1], [0.0, 0], [0.0, 0], [0.05107327151527259, 1], [0.0, 0], [0.0013454548424030402, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.00023077527573114648, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0034920044529350115, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.05588674606358348, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.10402095547417871, 1], [0.004711174266112351, 1], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0], [0.0, 0]]]}