diff test-data/convert/msp_out.msp @ 7:b768248c37d0 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52
author recetox
date Tue, 02 May 2023 10:14:54 +0000
parents
children 4015f250a5a1
line wrap: on
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/convert/msp_out.msp	Tue May 02 10:14:54 2023 +0000
@@ -0,0 +1,6548 @@
+SCANNUMBER: 1161
+PRECURSORTYPE: [M+H]+
+IONMODE: Positive
+SPECTRUMTYPE: Centroid
+FORMULA: C4H10NO3PS
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+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: 
+COMPOUND_NAME: Acephate
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+COLLISION_ENERGY: 
+NUM PEAKS: 16
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+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: 
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+INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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+INSTRUMENT: LC Orbitrap Fusion Tribrid MS
+INSTRUMENTTYPE: LC-ESI-Orbitrap
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+LICENSE: CC BY-NC
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+AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
+INSTRUMENT: LC Orbitrap Fusion Tribrid MS
+INSTRUMENTTYPE: LC-ESI-Orbitrap
+IONIZATION: ESI+
+LICENSE: CC BY-NC
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+INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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+INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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+INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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+LICENSE: CC BY-NC
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+INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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+LICENSE: CC BY-NC
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+AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
+INSTRUMENT: LC Orbitrap Fusion Tribrid MS
+INSTRUMENTTYPE: LC-ESI-Orbitrap
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+LICENSE: CC BY-NC
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+COMPOUND_NAME: Trichlorfon
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+SCANNUMBER: 2002
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+INSTRUMENT: LC Orbitrap Fusion Tribrid MS
+INSTRUMENTTYPE: LC-ESI-Orbitrap
+IONIZATION: ESI+
+LICENSE: CC BY-NC
+COMMENT: 
+COMPOUND_NAME: Vamidothion
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+SCANNUMBER: 1209
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+INCHI: 
+SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O
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+INSTRUMENT: LC Orbitrap Fusion Tribrid MS
+INSTRUMENTTYPE: LC-ESI-Orbitrap
+IONIZATION: ESI+
+LICENSE: CC BY-NC
+COMMENT: 
+COMPOUND_NAME: Aldicarb sulfone
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+SCANNUMBER: 4766
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+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: 
+COMPOUND_NAME: Benfuracarb
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+SCANNUMBER: 1209
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+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: 
+COMPOUND_NAME: Butoxycarboxim
+RETENTION_TIME: 1.483623
+PRECURSOR_MZ: 223.075
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+SCANNUMBER: 4928
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+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: 
+COMPOUND_NAME: Furathiocarb
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+SCANNUMBER: 3333
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+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: 
+COMPOUND_NAME: Methabenzthiazuron
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+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: 
+COMPOUND_NAME: Tebuthiuron
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+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: 
+COMPOUND_NAME: Thidiazuron
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+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: 
+COMPOUND_NAME: Ethiofencarb
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+SCANNUMBER: 2724
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+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: 
+COMPOUND_NAME: Methiocarb
+RETENTION_TIME: 6.352629
+PRECURSOR_MZ: 226.0899
+COLLISION_ENERGY: 
+NUM PEAKS: 4
+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: 
+COMPOUND_NAME: Carbofuran
+RETENTION_TIME: 4.14677
+PRECURSOR_MZ: 222.1128
+COLLISION_ENERGY: 
+NUM PEAKS: 10
+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: 
+COMPOUND_NAME: Chloroxuron
+RETENTION_TIME: 6.824893
+PRECURSOR_MZ: 291.09
+COLLISION_ENERGY: 
+NUM PEAKS: 34
+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: 
+COMPOUND_NAME: Chlortoluron
+RETENTION_TIME: 5.193264
+PRECURSOR_MZ: 213.0795
+COLLISION_ENERGY: 
+NUM PEAKS: 14
+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: 
+COMPOUND_NAME: Cycluron
+RETENTION_TIME: 5.00998
+PRECURSOR_MZ: 199.1809
+COLLISION_ENERGY: 
+NUM PEAKS: 4
+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: 
+COMPOUND_NAME: Diethofencarb
+RETENTION_TIME: 6.124817
+PRECURSOR_MZ: 268.1547
+COLLISION_ENERGY: 
+NUM PEAKS: 7
+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: 
+COMPOUND_NAME: Diflubenzuron
+RETENTION_TIME: 6.959446
+PRECURSOR_MZ: 311.0396
+COLLISION_ENERGY: 
+NUM PEAKS: 3
+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: 
+COMPOUND_NAME: Diuron
+RETENTION_TIME: 5.711479
+PRECURSOR_MZ: 233.0248
+COLLISION_ENERGY: 
+NUM PEAKS: 8
+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: 
+COMPOUND_NAME: Dioxacarb
+RETENTION_TIME: 2.808769
+PRECURSOR_MZ: 224.092
+COLLISION_ENERGY: 
+NUM PEAKS: 6
+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: 
+COMPOUND_NAME: Bendiocarb
+RETENTION_TIME: 4.036841
+PRECURSOR_MZ: 224.092
+COLLISION_ENERGY: 
+NUM PEAKS: 4
+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: 
+COMPOUND_NAME: Fenobucarb
+RETENTION_TIME: 5.279047
+PRECURSOR_MZ: 208.1339
+COLLISION_ENERGY: 
+NUM PEAKS: 5
+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: 
+COMPOUND_NAME: Flufenoxuron
+RETENTION_TIME: 7.258582
+PRECURSOR_MZ: 489.044
+COLLISION_ENERGY: 
+NUM PEAKS: 9
+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: 
+COMPOUND_NAME: Fluometuron
+RETENTION_TIME: 4.295248
+PRECURSOR_MZ: 233.0903
+COLLISION_ENERGY: 
+NUM PEAKS: 14
+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: 
+COMPOUND_NAME: Forchlorfenuron
+RETENTION_TIME: 6.068144
+PRECURSOR_MZ: 248.0593
+COLLISION_ENERGY: 
+NUM PEAKS: 6
+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: 
+COMPOUND_NAME: 3-Hydroxycarbofuran
+RETENTION_TIME: 2.534817
+PRECURSOR_MZ: 238.1075
+COLLISION_ENERGY: 
+NUM PEAKS: 7
+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: 
+COMPOUND_NAME: Indoxacarb
+RETENTION_TIME: 7.23968
+PRECURSOR_MZ: 528.0795
+COLLISION_ENERGY: 
+NUM PEAKS: 38
+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: 
+COMPOUND_NAME: Iprovalicarb
+RETENTION_TIME: 6.291288
+PRECURSOR_MZ: 321.218
+COLLISION_ENERGY: 
+NUM PEAKS: 9
+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: 
+COMPOUND_NAME: Isoproturon
+RETENTION_TIME: 4.953308
+PRECURSOR_MZ: 207.1494
+COLLISION_ENERGY: 
+NUM PEAKS: 27
+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: 
+COMPOUND_NAME: Linuron
+RETENTION_TIME: 6.428301
+PRECURSOR_MZ: 249.0202
+COLLISION_ENERGY: 
+NUM PEAKS: 17
+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: 
+COMPOUND_NAME: Metobromuron
+RETENTION_TIME: 5.555997
+PRECURSOR_MZ: 259.0081
+COLLISION_ENERGY: 
+NUM PEAKS: 15
+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: 
+COMPOUND_NAME: Monolinuron
+RETENTION_TIME: 5.086284
+PRECURSOR_MZ: 215.0587
+COLLISION_ENERGY: 
+NUM PEAKS: 16
+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: 
+COMPOUND_NAME: Fenoxycarb
+RETENTION_TIME: 7.007411
+PRECURSOR_MZ: 302.1392
+COLLISION_ENERGY: 
+NUM PEAKS: 4
+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: 
+COMPOUND_NAME: Fenuron
+RETENTION_TIME: 2.603287
+PRECURSOR_MZ: 165.1026
+COLLISION_ENERGY: 
+NUM PEAKS: 8
+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: 
+COMPOUND_NAME: Isoprocarb
+RETENTION_TIME: 4.552796
+PRECURSOR_MZ: 194.1181
+COLLISION_ENERGY: 
+NUM PEAKS: 4
+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: 
+COMPOUND_NAME: Pyraclostrobin
+RETENTION_TIME: 7.421628
+PRECURSOR_MZ: 388.107
+COLLISION_ENERGY: 
+NUM PEAKS: 11
+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: 
+COMPOUND_NAME: Siduron_1
+RETENTION_TIME: 5.922128
+PRECURSOR_MZ: 233.1652
+COLLISION_ENERGY: 
+NUM PEAKS: 8
+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: 
+COMPOUND_NAME: Siduron_2
+RETENTION_TIME: 6.048454
+PRECURSOR_MZ: 233.1654
+COLLISION_ENERGY: 
+NUM PEAKS: 8
+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: 
+COMPOUND_NAME: Thiobencarb
+RETENTION_TIME: 7.094566
+PRECURSOR_MZ: 258.0717
+COLLISION_ENERGY: 
+NUM PEAKS: 3
+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: 
+COMPOUND_NAME: Triflumuron
+RETENTION_TIME: 6.978649
+PRECURSOR_MZ: 359.0412
+COLLISION_ENERGY: 
+NUM PEAKS: 7
+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: 
+COMPOUND_NAME: Propham
+RETENTION_TIME: 6.134321
+PRECURSOR_MZ: 180.1022
+COLLISION_ENERGY: 
+NUM PEAKS: 13
+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: 
+COMPOUND_NAME: Propoxur
+RETENTION_TIME: 3.894733
+PRECURSOR_MZ: 210.1129
+COLLISION_ENERGY: 
+NUM PEAKS: 6
+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: 
+COMPOUND_NAME: Neburon
+RETENTION_TIME: 6.834164
+PRECURSOR_MZ: 275.0721
+COLLISION_ENERGY: 
+NUM PEAKS: 12
+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: 
+COMPOUND_NAME: Pirimicarb
+RETENTION_TIME: 2.886323
+PRECURSOR_MZ: 239.1508
+COLLISION_ENERGY: 
+NUM PEAKS: 16
+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: 
+COMPOUND_NAME: Promecarb
+RETENTION_TIME: 5.65392
+PRECURSOR_MZ: 208.1339
+COLLISION_ENERGY: 
+NUM PEAKS: 3
+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: 
+COMPOUND_NAME: Ametryn
+RETENTION_TIME: 4.38309
+PRECURSOR_MZ: 228.1282
+COLLISION_ENERGY: 
+NUM PEAKS: 15
+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: 
+COMPOUND_NAME: Azoxystrobin
+RETENTION_TIME: 6.9269
+PRECURSOR_MZ: 404.1249
+COLLISION_ENERGY: 
+NUM PEAKS: 46
+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: 
+COMPOUND_NAME: Benalaxyl
+RETENTION_TIME: 7.079875
+PRECURSOR_MZ: 326.1756
+COLLISION_ENERGY: 
+NUM PEAKS: 8
+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: 
+COMPOUND_NAME: Boscalid
+RETENTION_TIME: 6.811709
+PRECURSOR_MZ: 343.0408
+COLLISION_ENERGY: 
+NUM PEAKS: 27
+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: 
+COMPOUND_NAME: Carbetamide
+RETENTION_TIME: 3.923062
+PRECURSOR_MZ: 237.1238
+COLLISION_ENERGY: 
+NUM PEAKS: 12
+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: 
+COMPOUND_NAME: Carfentrazone ethyl
+RETENTION_TIME: 6.898515
+PRECURSOR_MZ: 412.045
+COLLISION_ENERGY: 
+NUM PEAKS: 75
+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
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+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: 
+COMPOUND_NAME: Chlorantraniliprole
+RETENTION_TIME: 6.589343
+PRECURSOR_MZ: 481.9785
+COLLISION_ENERGY: 
+NUM PEAKS: 4
+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: 
+COMPOUND_NAME: Clofentezine
+RETENTION_TIME: 7.397017
+PRECURSOR_MZ: 303.0207
+COLLISION_ENERGY: 
+NUM PEAKS: 5
+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: 
+COMPOUND_NAME: Cyprodinil
+RETENTION_TIME: 6.669806
+PRECURSOR_MZ: 226.1346
+COLLISION_ENERGY: 
+NUM PEAKS: 68
+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: 
+COMPOUND_NAME: Cyromazine_1
+RETENTION_TIME: 0.7250975
+PRECURSOR_MZ: 167.1043
+COLLISION_ENERGY: 
+NUM PEAKS: 9
+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: 
+COMPOUND_NAME: Cyromazine_2
+RETENTION_TIME: 1.057777
+PRECURSOR_MZ: 167.1043
+COLLISION_ENERGY: 
+NUM PEAKS: 12
+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: 
+COMPOUND_NAME: Dimoxystrobin
+RETENTION_TIME: 7.042906
+PRECURSOR_MZ: 327.1716
+COLLISION_ENERGY: 
+NUM PEAKS: 25
+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: 
+COMPOUND_NAME: Fenazaquin
+RETENTION_TIME: 7.977267
+PRECURSOR_MZ: 307.1813
+COLLISION_ENERGY: 
+NUM PEAKS: 14
+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: 
+COMPOUND_NAME: Fenhexamid
+RETENTION_TIME: 6.679342
+PRECURSOR_MZ: 302.0717
+COLLISION_ENERGY: 
+NUM PEAKS: 6
+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: 
+COMPOUND_NAME: Fenpyroximate
+RETENTION_TIME: 7.825895
+PRECURSOR_MZ: 422.2081
+COLLISION_ENERGY: 
+NUM PEAKS: 90
+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
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+106.06546   218843.0
+107.02439   77423.0
+107.04966   430579.0
+109.04004   148437.0
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+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: 
+COMPOUND_NAME: Flonicamid
+RETENTION_TIME: 1.603478
+PRECURSOR_MZ: 230.054
+COLLISION_ENERGY: 
+NUM PEAKS: 22
+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: 
+COMPOUND_NAME: Fluoxastrobin
+RETENTION_TIME: 7.061409
+PRECURSOR_MZ: 459.0882
+COLLISION_ENERGY: 
+NUM PEAKS: 85
+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
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+190.04181   129380.0
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+214.00674   231209.0
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+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
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+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: 
+COMPOUND_NAME: Flutolanil
+RETENTION_TIME: 6.193638
+PRECURSOR_MZ: 324.1214
+COLLISION_ENERGY: 
+NUM PEAKS: 12
+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: 
+COMPOUND_NAME: Furalaxyl
+RETENTION_TIME: 6.193638
+PRECURSOR_MZ: 302.1392
+COLLISION_ENERGY: 
+NUM PEAKS: 1
+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: 
+COMPOUND_NAME: Imazalil
+RETENTION_TIME: 3.913752
+PRECURSOR_MZ: 297.0566
+COLLISION_ENERGY: 
+NUM PEAKS: 17
+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: 
+COMPOUND_NAME: Imidacloprid
+RETENTION_TIME: 3.079668
+PRECURSOR_MZ: 256.0602
+COLLISION_ENERGY: 
+NUM PEAKS: 36
+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: 
+COMPOUND_NAME: Mandipropamid
+RETENTION_TIME: 6.964275
+PRECURSOR_MZ: 412.1314
+COLLISION_ENERGY: 
+NUM PEAKS: 5
+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: 
+COMPOUND_NAME: Mepanipyrim
+RETENTION_TIME: 6.936112
+PRECURSOR_MZ: 224.1185
+COLLISION_ENERGY: 
+NUM PEAKS: 102
+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: 
+COMPOUND_NAME: Dinotefuran
+RETENTION_TIME: 1.502809
+PRECURSOR_MZ: 203.1141
+COLLISION_ENERGY: 
+NUM PEAKS: 13
+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: 
+COMPOUND_NAME: Metaflumizone
+RETENTION_TIME: 7.19479
+PRECURSOR_MZ: 507.1251
+COLLISION_ENERGY: 
+NUM PEAKS: 33
+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: 
+COMPOUND_NAME: Metalaxyl
+RETENTION_TIME: 5.550616
+PRECURSOR_MZ: 280.1547
+COLLISION_ENERGY: 
+NUM PEAKS: 24
+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: 
+COMPOUND_NAME: Myclobutanil
+RETENTION_TIME: 6.259462
+PRECURSOR_MZ: 289.1221
+COLLISION_ENERGY: 
+NUM PEAKS: 18
+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: 
+COMPOUND_NAME: Oxadixyl
+RETENTION_TIME: 4.402048
+PRECURSOR_MZ: 279.1344
+COLLISION_ENERGY: 
+NUM PEAKS: 7
+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: 
+COMPOUND_NAME: Prochloraz
+RETENTION_TIME: 7.089308
+PRECURSOR_MZ: 376.0388
+COLLISION_ENERGY: 
+NUM PEAKS: 3
+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: 
+COMPOUND_NAME: Prometon_1
+RETENTION_TIME: 3.185351
+PRECURSOR_MZ: 226.1667
+COLLISION_ENERGY: 
+NUM PEAKS: 16
+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: 
+COMPOUND_NAME: Prometon_2
+RETENTION_TIME: 3.288845
+PRECURSOR_MZ: 226.1663
+COLLISION_ENERGY: 
+NUM PEAKS: 22
+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: 
+COMPOUND_NAME: Pymetrozine
+RETENTION_TIME: 1.373368
+PRECURSOR_MZ: 218.1044
+COLLISION_ENERGY: 
+NUM PEAKS: 2
+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: 
+COMPOUND_NAME: Pyracarbolid
+RETENTION_TIME: 4.72542
+PRECURSOR_MZ: 218.1182
+COLLISION_ENERGY: 
+NUM PEAKS: 8
+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: 
+COMPOUND_NAME: Pyrimethanil
+RETENTION_TIME: 5.598423
+PRECURSOR_MZ: 200.1186
+COLLISION_ENERGY: 
+NUM PEAKS: 43
+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: 
+COMPOUND_NAME: Pyriproxyfen
+RETENTION_TIME: 7.483148
+PRECURSOR_MZ: 322.1441
+COLLISION_ENERGY: 
+NUM PEAKS: 21
+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: 
+COMPOUND_NAME: Mepronil
+RETENTION_TIME: 6.63015
+PRECURSOR_MZ: 270.1492
+COLLISION_ENERGY: 
+NUM PEAKS: 8
+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: 
+COMPOUND_NAME: Spiroxamine_2
+RETENTION_TIME: 4.628222
+PRECURSOR_MZ: 298.2747
+COLLISION_ENERGY: 
+NUM PEAKS: 4
+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: 
+COMPOUND_NAME: Tebufenpyrad
+RETENTION_TIME: 7.223254
+PRECURSOR_MZ: 334.1692
+COLLISION_ENERGY: 
+NUM PEAKS: 17
+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: 
+COMPOUND_NAME: Terbumeton_1
+RETENTION_TIME: 3.185351
+PRECURSOR_MZ: 226.1667
+COLLISION_ENERGY: 
+NUM PEAKS: 16
+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: 
+COMPOUND_NAME: Terbumeton_2
+RETENTION_TIME: 3.288845
+PRECURSOR_MZ: 226.1663
+COLLISION_ENERGY: 
+NUM PEAKS: 22
+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: 
+COMPOUND_NAME: Triadimefon
+RETENTION_TIME: 6.495691
+PRECURSOR_MZ: 294.101
+COLLISION_ENERGY: 
+NUM PEAKS: 34
+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: 
+COMPOUND_NAME: Trifloxystrobin
+RETENTION_TIME: 7.117416
+PRECURSOR_MZ: 409.1378
+COLLISION_ENERGY: 
+NUM PEAKS: 20
+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: 
+COMPOUND_NAME: Zoxamide
+RETENTION_TIME: 7.042906
+PRECURSOR_MZ: 336.0327
+COLLISION_ENERGY: 
+NUM PEAKS: 7
+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: 
+COMPOUND_NAME: Quinoxyfen
+RETENTION_TIME: 7.693292
+PRECURSOR_MZ: 308.0046
+COLLISION_ENERGY: 
+NUM PEAKS: 28
+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: 
+COMPOUND_NAME: Rotenone
+RETENTION_TIME: 7.674882
+PRECURSOR_MZ: 395.1498
+COLLISION_ENERGY: 
+NUM PEAKS: 118
+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: 
+COMPOUND_NAME: Secbumeton_1
+RETENTION_TIME: 3.185351
+PRECURSOR_MZ: 226.1667
+COLLISION_ENERGY: 
+NUM PEAKS: 16
+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: 
+COMPOUND_NAME: Secbumeton_2
+RETENTION_TIME: 3.288845
+PRECURSOR_MZ: 226.1663
+COLLISION_ENERGY: 
+NUM PEAKS: 22
+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: 
+COMPOUND_NAME: Spiroxamine_1
+RETENTION_TIME: 4.508498
+PRECURSOR_MZ: 298.2746
+COLLISION_ENERGY: 
+NUM PEAKS: 4
+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: 
+COMPOUND_NAME: Acibenzolar-S-methyl
+RETENTION_TIME: 7.209623
+PRECURSOR_MZ: 210.9997
+COLLISION_ENERGY: 
+NUM PEAKS: 19
+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: 
+COMPOUND_NAME: Bupirimate
+RETENTION_TIME: 6.076324
+PRECURSOR_MZ: 317.1649
+COLLISION_ENERGY: 
+NUM PEAKS: 55
+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: 
+COMPOUND_NAME: Buprofezin
+RETENTION_TIME: 7.028851
+PRECURSOR_MZ: 306.1638
+COLLISION_ENERGY: 
+NUM PEAKS: 7
+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: 
+COMPOUND_NAME: Carboxin
+RETENTION_TIME: 5.514598
+PRECURSOR_MZ: 236.0745
+COLLISION_ENERGY: 
+NUM PEAKS: 21
+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: 
+COMPOUND_NAME: Clethodim_1
+RETENTION_TIME: 6.687163
+PRECURSOR_MZ: 360.1401
+COLLISION_ENERGY: 
+NUM PEAKS: 93
+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: 
+COMPOUND_NAME: Clethodim_2
+RETENTION_TIME: 7.277172
+PRECURSOR_MZ: 360.1401
+COLLISION_ENERGY: 
+NUM PEAKS: 68
+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: 
+COMPOUND_NAME: Clothianidin
+RETENTION_TIME: 2.767634
+PRECURSOR_MZ: 250.0162
+COLLISION_ENERGY: 
+NUM PEAKS: 12
+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: 
+COMPOUND_NAME: Cyazofamid
+RETENTION_TIME: 6.824718
+PRECURSOR_MZ: 325.0526
+COLLISION_ENERGY: 
+NUM PEAKS: 14
+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: 
+COMPOUND_NAME: Ethiprole
+RETENTION_TIME: 5.828761
+PRECURSOR_MZ: 396.991
+COLLISION_ENERGY: 
+NUM PEAKS: 11
+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: 
+COMPOUND_NAME: Ethofumesate
+RETENTION_TIME: 6.01901
+PRECURSOR_MZ: 287.0957
+COLLISION_ENERGY: 
+NUM PEAKS: 10
+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: 
+COMPOUND_NAME: Fenamidone
+RETENTION_TIME: 6.626915
+PRECURSOR_MZ: 312.1172
+COLLISION_ENERGY: 
+NUM PEAKS: 23
+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: 
+COMPOUND_NAME: Fipronil
+RETENTION_TIME: 6.367518
+PRECURSOR_MZ: 436.9474
+COLLISION_ENERGY: 
+NUM PEAKS: 44
+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: 
+COMPOUND_NAME: Flufenacet
+RETENTION_TIME: 6.476889
+PRECURSOR_MZ: 364.0744
+COLLISION_ENERGY: 
+NUM PEAKS: 5
+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: 
+COMPOUND_NAME: Hexythiazox
+RETENTION_TIME: 7.46046
+PRECURSOR_MZ: 353.1096
+COLLISION_ENERGY: 
+NUM PEAKS: 18
+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: 
+COMPOUND_NAME: Mefenacet
+RETENTION_TIME: 7.143147
+PRECURSOR_MZ: 299.0857
+COLLISION_ENERGY: 
+NUM PEAKS: 10
+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: 
+COMPOUND_NAME: Mesotrione
+RETENTION_TIME: 4.438974
+PRECURSOR_MZ: 340.0492
+COLLISION_ENERGY: 
+NUM PEAKS: 21
+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: 
+COMPOUND_NAME: Methoprotryne
+RETENTION_TIME: 4.953537
+PRECURSOR_MZ: 272.1545
+COLLISION_ENERGY: 
+NUM PEAKS: 15
+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: 
+COMPOUND_NAME: Metribuzin
+RETENTION_TIME: 4.458099
+PRECURSOR_MZ: 215.0965
+COLLISION_ENERGY: 
+NUM PEAKS: 62
+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: 
+COMPOUND_NAME: Prometryne
+RETENTION_TIME: 4.990861
+PRECURSOR_MZ: 242.1439
+COLLISION_ENERGY: 
+NUM PEAKS: 15
+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: 
+COMPOUND_NAME: Pyridaben
+RETENTION_TIME: 7.556859
+PRECURSOR_MZ: 365.1459
+COLLISION_ENERGY: 
+NUM PEAKS: 3
+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: 
+COMPOUND_NAME: Simetryn
+RETENTION_TIME: 3.75983
+PRECURSOR_MZ: 214.1124
+COLLISION_ENERGY: 
+NUM PEAKS: 12
+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: 
+COMPOUND_NAME: Sulfentrazone
+RETENTION_TIME: 4.825635
+PRECURSOR_MZ: 386.99
+COLLISION_ENERGY: 
+NUM PEAKS: 48
+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: 
+COMPOUND_NAME: Terbutryn
+RETENTION_TIME: 4.990861
+PRECURSOR_MZ: 242.1439
+COLLISION_ENERGY: 
+NUM PEAKS: 15
+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: 
+COMPOUND_NAME: Thiabendazole
+RETENTION_TIME: 2.44406
+PRECURSOR_MZ: 202.0437
+COLLISION_ENERGY: 
+NUM PEAKS: 7
+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: 
+COMPOUND_NAME: Thiacloprid
+RETENTION_TIME: 4.159843
+PRECURSOR_MZ: 253.0315
+COLLISION_ENERGY: 
+NUM PEAKS: 6
+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: 
+COMPOUND_NAME: Thiamethoxam
+RETENTION_TIME: 2.35524
+PRECURSOR_MZ: 292.0273
+COLLISION_ENERGY: 
+NUM PEAKS: 10
+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: 
+COMPOUND_NAME: Tricyclazole
+RETENTION_TIME: 5.514598
+PRECURSOR_MZ: 190.0439
+COLLISION_ENERGY: 
+NUM PEAKS: 10
+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: 
+COMPOUND_NAME: Fenarimol
+RETENTION_TIME: 6.876775
+PRECURSOR_MZ: 331.0412
+COLLISION_ENERGY: 
+NUM PEAKS: 60
+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: 
+COMPOUND_NAME: Fenbuconazole
+RETENTION_TIME: 7.045859
+PRECURSOR_MZ: 337.1223
+COLLISION_ENERGY: 
+NUM PEAKS: 9
+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: 
+COMPOUND_NAME: Fluquinconazole
+RETENTION_TIME: 7.093534
+PRECURSOR_MZ: 376.0173
+COLLISION_ENERGY: 
+NUM PEAKS: 22
+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: 
+COMPOUND_NAME: Flutriafol
+RETENTION_TIME: 5.240544
+PRECURSOR_MZ: 302.1111
+COLLISION_ENERGY: 
+NUM PEAKS: 11
+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: 
+COMPOUND_NAME: Fuberidazole
+RETENTION_TIME: 2.456748
+PRECURSOR_MZ: 185.0715
+COLLISION_ENERGY: 
+NUM PEAKS: 15
+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: 
+COMPOUND_NAME: Cyproconazole_1
+RETENTION_TIME: 6.138374
+PRECURSOR_MZ: 292.122
+COLLISION_ENERGY: 
+NUM PEAKS: 4
+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: 
+COMPOUND_NAME: Cyproconazole_2
+RETENTION_TIME: 6.36811
+PRECURSOR_MZ: 292.1225
+COLLISION_ENERGY: 
+NUM PEAKS: 4
+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: 
+COMPOUND_NAME: Diclobutrazol
+RETENTION_TIME: 6.830443
+PRECURSOR_MZ: 328.0983
+COLLISION_ENERGY: 
+NUM PEAKS: 11
+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: 
+COMPOUND_NAME: Difenoconazole
+RETENTION_TIME: 7.351549
+PRECURSOR_MZ: 406.0727
+COLLISION_ENERGY: 
+NUM PEAKS: 13
+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: 
+COMPOUND_NAME: Diniconazole
+RETENTION_TIME: 6.999194
+PRECURSOR_MZ: 326.0832
+COLLISION_ENERGY: 
+NUM PEAKS: 52
+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: 
+COMPOUND_NAME: Epoxiconazole
+RETENTION_TIME: 6.999194
+PRECURSOR_MZ: 330.0806
+COLLISION_ENERGY: 
+NUM PEAKS: 12
+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: 
+COMPOUND_NAME: Etaconazole
+RETENTION_TIME: 6.802904
+PRECURSOR_MZ: 328.0626
+COLLISION_ENERGY: 
+NUM PEAKS: 10
+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: 
+COMPOUND_NAME: Ethirimol
+RETENTION_TIME: 2.246086
+PRECURSOR_MZ: 210.1608
+COLLISION_ENERGY: 
+NUM PEAKS: 32
+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: 
+COMPOUND_NAME: Hexaconazole
+RETENTION_TIME: 6.793731
+PRECURSOR_MZ: 314.0833
+COLLISION_ENERGY: 
+NUM PEAKS: 16
+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: 
+COMPOUND_NAME: Ipconazole
+RETENTION_TIME: 7.112235
+PRECURSOR_MZ: 334.1694
+COLLISION_ENERGY: 
+NUM PEAKS: 18
+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: 
+COMPOUND_NAME: Metconazole
+RETENTION_TIME: 7.017605
+PRECURSOR_MZ: 320.1538
+COLLISION_ENERGY: 
+NUM PEAKS: 13
+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: 
+COMPOUND_NAME: Nuarimol
+RETENTION_TIME: 6.452959
+PRECURSOR_MZ: 315.0705
+COLLISION_ENERGY: 
+NUM PEAKS: 59
+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: 
+COMPOUND_NAME: Paclobutrazol
+RETENTION_TIME: 6.358851
+PRECURSOR_MZ: 294.1362
+COLLISION_ENERGY: 
+NUM PEAKS: 22
+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: 
+COMPOUND_NAME: Penconazole
+RETENTION_TIME: 6.747501
+PRECURSOR_MZ: 284.0724
+COLLISION_ENERGY: 
+NUM PEAKS: 5
+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: 
+COMPOUND_NAME: Propiconazole
+RETENTION_TIME: 6.999194
+PRECURSOR_MZ: 342.0777
+COLLISION_ENERGY: 
+NUM PEAKS: 5
+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: 
+COMPOUND_NAME: Tebuconazole
+RETENTION_TIME: 6.933391
+PRECURSOR_MZ: 308.1532
+COLLISION_ENERGY: 
+NUM PEAKS: 15
+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: 
+COMPOUND_NAME: Tetraconazole
+RETENTION_TIME: 6.434036
+PRECURSOR_MZ: 372.0302
+COLLISION_ENERGY: 
+NUM PEAKS: 6
+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: 
+COMPOUND_NAME: Triflumizole
+RETENTION_TIME: 6.821252
+PRECURSOR_MZ: 346.094
+COLLISION_ENERGY: 
+NUM PEAKS: 2
+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: 
+COMPOUND_NAME: Triticonazole
+RETENTION_TIME: 6.793731
+PRECURSOR_MZ: 318.1369
+COLLISION_ENERGY: 
+NUM PEAKS: 59
+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: 
+COMPOUND_NAME: Spinetoram L
+RETENTION_TIME: 6.970665
+PRECURSOR_MZ: 760.5021
+COLLISION_ENERGY: 
+NUM PEAKS: 21
+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: 
+COMPOUND_NAME: Emamectin benzoate
+RETENTION_TIME: 6.999389
+PRECURSOR_MZ: 886.5328
+COLLISION_ENERGY: 
+NUM PEAKS: 11
+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: 
+COMPOUND_NAME: Fenpropimorph
+RETENTION_TIME: 4.613603
+PRECURSOR_MZ: 304.2642
+COLLISION_ENERGY: 
+NUM PEAKS: 14
+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: 
+COMPOUND_NAME: Spirodiclofen
+RETENTION_TIME: 7.279784
+PRECURSOR_MZ: 411.1127
+COLLISION_ENERGY: 
+NUM PEAKS: 3
+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: 
+COMPOUND_NAME: Spinosad
+RETENTION_TIME: 6.884336
+PRECURSOR_MZ: 732.4695
+COLLISION_ENERGY: 
+NUM PEAKS: 24
+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: 
+COMPOUND_NAME: Spirotetramat
+RETENTION_TIME: 6.637813
+PRECURSOR_MZ: 374.1972
+COLLISION_ENERGY: 
+NUM PEAKS: 25
+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: 
+COMPOUND_NAME: Spinetoram J
+RETENTION_TIME: 6.875065
+PRECURSOR_MZ: 748.4996
+COLLISION_ENERGY: 
+NUM PEAKS: 19
+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: 
+COMPOUND_NAME: Hydramethylnon
+RETENTION_TIME: 6.67979
+PRECURSOR_MZ: 495.1986
+COLLISION_ENERGY: 
+NUM PEAKS: 48
+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: 
+COMPOUND_NAME: Aminocarb_1
+RETENTION_TIME: 0.8035756
+PRECURSOR_MZ: 209.129
+COLLISION_ENERGY: 
+NUM PEAKS: 5
+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: 
+COMPOUND_NAME: Aminocarb_2
+RETENTION_TIME: 1.13997
+PRECURSOR_MZ: 209.129
+COLLISION_ENERGY: 
+NUM PEAKS: 5
+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: 
+COMPOUND_NAME: Propamocarb_1
+RETENTION_TIME: 0.7535679
+PRECURSOR_MZ: 189.1603
+COLLISION_ENERGY: 
+NUM PEAKS: 2
+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: 
+COMPOUND_NAME: Propamocarb_2
+RETENTION_TIME: 1.081971
+PRECURSOR_MZ: 189.1603
+COLLISION_ENERGY: 
+NUM PEAKS: 2
+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: 
+COMPOUND_NAME: Formetanate_1
+RETENTION_TIME: 0.7730471
+PRECURSOR_MZ: 222.1239
+COLLISION_ENERGY: 
+NUM PEAKS: 13
+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: 
+COMPOUND_NAME: Formetanate_2
+RETENTION_TIME: 1.13043
+PRECURSOR_MZ: 222.1239
+COLLISION_ENERGY: 
+NUM PEAKS: 15
+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: 
+COMPOUND_NAME: Mexacarbate
+RETENTION_TIME: 1.682191
+PRECURSOR_MZ: 223.1443
+COLLISION_ENERGY: 
+NUM PEAKS: 5
+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: 
+COMPOUND_NAME: Monceren
+RETENTION_TIME: 7.14553
+PRECURSOR_MZ: 329.1426
+COLLISION_ENERGY: 
+NUM PEAKS: 5
+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: 
+COMPOUND_NAME: Desmedipham
+RETENTION_TIME: 6.430396
+PRECURSOR_MZ: 301.1192
+COLLISION_ENERGY: 
+NUM PEAKS: 3
+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: 
+COMPOUND_NAME: Phenmedipham
+RETENTION_TIME: 6.570995
+PRECURSOR_MZ: 301.1185
+COLLISION_ENERGY: 
+NUM PEAKS: 2
+136.03947   2596929.0
+168.06587   7038054.0
+