Mercurial > repos > recetox > matchms_networking
diff test-data/convert/msp_out.msp @ 25:131baa30af82 draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
| author | recetox |
|---|---|
| date | Mon, 30 Jun 2025 13:01:47 +0000 |
| parents | 8ae521f89988 |
| children |
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--- a/test-data/convert/msp_out.msp Thu Nov 14 15:14:06 2024 +0000 +++ b/test-data/convert/msp_out.msp Mon Jun 30 13:01:47 2025 +0000 @@ -1,3 +1,4 @@ +COMPOUND_NAME: Acephate SCANNUMBER: 1161 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -10,30 +11,30 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Acephate RETENTION_TIME: 1.232997 PRECURSOR_MZ: 184.0194 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 16 -90.09368 1128.0 -93.11512 1241.0 -95.10279 1118.0 -101.31465 1152.0 -102.90688 1322.0 -103.98039 1201.0 -112.01607 12289.0 -112.99994 38027.0 -115.00399 1634.0 -124.98121 922.0 -128.97701 9208.0 -132.57193 1350.0 -135.84808 1428.0 -142.99275 16419.0 -147.94205 1750.0 -173.5094 2353.0 - +90.09368 1128.0 +93.11512 1241.0 +95.10279 1118.0 +101.31465 1152.0 +102.90688 1322.0 +103.98039 1201.0 +112.01607 12289.0 +112.99994 38027.0 +115.00399 1634.0 +124.98121 922.0 +128.97701 9208.0 +132.57193 1350.0 +135.84808 1428.0 +142.99275 16419.0 +147.94205 1750.0 +173.5094 2353.0 + +COMPOUND_NAME: Carbaryl SCANNUMBER: 2257 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -46,15 +47,15 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Carbaryl RETENTION_TIME: 5.259445 PRECURSOR_MZ: 202.0863 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 1 -145.06491 1326147.0 - +145.06491 1326147.0 + +COMPOUND_NAME: Dicrotophos SCANNUMBER: 1516 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -67,19 +68,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Dicrotophos RETENTION_TIME: 2.025499 PRECURSOR_MZ: 238.0844 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -112.074 102027.0 -112.07591 9070987.0 -127.01563 3230337.0 -193.02605 7897744.0 -238.08437 2973124.0 - +112.074 102027.0 +112.07591 9070987.0 +127.01563 3230337.0 +193.02605 7897744.0 +238.08437 2973124.0 + +COMPOUND_NAME: Dimethoate SCANNUMBER: 1865 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -92,22 +93,22 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Dimethoate RETENTION_TIME: 2.866696 PRECURSOR_MZ: 230.0072 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 8 -88.0219 548446.0 -124.98233 183861.0 -142.99275 722053.0 -156.95422 80792.0 -170.97 1426256.0 -197.98123 240915.0 -198.96501 5415933.0 -230.00722 497851.0 - +88.0219 548446.0 +124.98233 183861.0 +142.99275 722053.0 +156.95422 80792.0 +170.97 1426256.0 +197.98123 240915.0 +198.96501 5415933.0 +230.00722 497851.0 + +COMPOUND_NAME: Dimethomorph SCANNUMBER: 3852 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -120,36 +121,36 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Dimethomorph RETENTION_TIME: 7.060486 PRECURSOR_MZ: 388.1316 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 22 -114.05532 468862.0 -125.01571 886745.0 -138.99484 4138370.0 -155.0705 425164.0 -165.05519 15513399.0 -165.06543 350695.0 -195.08057 386226.0 -215.0262 490061.0 -223.07544 702025.0 -227.02576 230514.0 -229.04225 216308.0 -235.07555 241142.0 -238.09914 1323577.0 -242.04929 2449236.0 -243.02142 891584.0 -257.03726 578874.0 -258.04443 3232295.0 -266.0943 358273.0 -270.04492 608851.0 -273.06772 3866006.0 -286.03912 483547.0 -301.06311 4060551.0 - 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+92.0498 456372.0 +109.01102 367319.0 +123.01394 375280.0 +124.02193 2568680.0 +132.06825 123566.0 +150.02492 9399192.0 +163.03316 152108.0 +165.04836 9598566.0 + +COMPOUND_NAME: Tebuthiuron SCANNUMBER: 1984 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -543,23 +544,23 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Tebuthiuron RETENTION_TIME: 4.241355 PRECURSOR_MZ: 229.1121 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 9 -88.0219 230604.0 -89.01719 2030070.0 -101.04233 435137.0 -116.0279 20609154.0 -141.04826 319289.0 -142.04346 1851694.0 -156.05936 1133851.0 -157.06721 6762498.0 -172.09081 12592908.0 - +88.0219 230604.0 +89.01719 2030070.0 +101.04233 435137.0 +116.0279 20609154.0 +141.04826 319289.0 +142.04346 1851694.0 +156.05936 1133851.0 +157.06721 6762498.0 +172.09081 12592908.0 + +COMPOUND_NAME: Thidiazuron SCANNUMBER: 2185 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -572,21 +573,21 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Thidiazuron RETENTION_TIME: 4.909884 PRECURSOR_MZ: 221.0497 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 7 -92.04957 154355.0 -94.0652 188105.0 -95.04929 172328.0 -102.0123 2547264.0 -105.04477 127605.0 -120.04464 76344.0 -127.99126 615346.0 - +92.04957 154355.0 +94.0652 188105.0 +95.04929 172328.0 +102.0123 2547264.0 +105.04477 127605.0 +120.04464 76344.0 +127.99126 615346.0 + +COMPOUND_NAME: Ethiofencarb SCANNUMBER: 2307 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -599,20 +600,20 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Ethiofencarb RETENTION_TIME: 5.074083 PRECURSOR_MZ: 226.09 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 6 -95.04929 42106.0 -105.04477 32913.0 -107.04936 243964.0 -120.08101 4266.0 -134.0966 5759.0 -147.93529 2678.0 - +95.04929 42106.0 +105.04477 32913.0 +107.04936 243964.0 +120.08101 4266.0 +134.0966 5759.0 +147.93529 2678.0 + +COMPOUND_NAME: Methiocarb SCANNUMBER: 2724 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -625,18 +626,18 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Methiocarb RETENTION_TIME: 6.352629 PRECURSOR_MZ: 226.0899 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 4 -121.06488 799606.0 -122.07284 96691.0 -169.06853 4882474.0 -226.08951 145633.0 - +121.06488 799606.0 +122.07284 96691.0 +169.06853 4882474.0 +226.08951 145633.0 + +COMPOUND_NAME: Carbofuran SCANNUMBER: 1753 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -649,24 +650,24 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Carbofuran RETENTION_TIME: 4.14677 PRECURSOR_MZ: 222.1128 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Chloroxuron SCANNUMBER: 4866 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -679,48 +680,48 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Chloroxuron RETENTION_TIME: 6.824893 PRECURSOR_MZ: 291.09 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Chlortoluron SCANNUMBER: 2586 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -733,28 +734,28 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Chlortoluron RETENTION_TIME: 5.193264 PRECURSOR_MZ: 213.0795 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Cycluron SCANNUMBER: 2273 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -767,18 +768,18 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Cycluron RETENTION_TIME: 5.00998 PRECURSOR_MZ: 199.1809 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 4 -89.07108 1303776.0 -111.11694 18709.0 -147.92079 14411.0 -147.93768 15209.0 - +89.07108 1303776.0 +111.11694 18709.0 +147.92079 14411.0 +147.93768 15209.0 + +COMPOUND_NAME: Diethofencarb SCANNUMBER: 3582 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -791,21 +792,21 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Diethofencarb RETENTION_TIME: 6.124817 PRECURSOR_MZ: 268.1547 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Diflubenzuron SCANNUMBER: 5619 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -818,17 +819,17 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Diflubenzuron RETENTION_TIME: 6.959446 PRECURSOR_MZ: 311.0396 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 3 -141.01498 340685.0 -158.04167 9035608.0 -311.03952 2283440.0 - +141.01498 340685.0 +158.04167 9035608.0 +311.03952 2283440.0 + +COMPOUND_NAME: Diuron SCANNUMBER: 3192 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -841,22 +842,22 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Diuron RETENTION_TIME: 5.711479 PRECURSOR_MZ: 233.0248 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Dioxacarb SCANNUMBER: 1320 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -869,20 +870,20 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Dioxacarb RETENTION_TIME: 2.808769 PRECURSOR_MZ: 224.092 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +95.04929 26554.0 +123.04434 805609.0 +162.05486 264649.0 +167.07042 1519113.0 +208.95668 21966.0 +224.12801 18664.0 + +COMPOUND_NAME: Bendiocarb SCANNUMBER: 1667 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -895,18 +896,18 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Bendiocarb RETENTION_TIME: 4.036841 PRECURSOR_MZ: 224.092 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 4 -109.02843 576717.0 -167.07042 2075283.0 -224.092 50305.0 -224.12801 22894.0 - +109.02843 576717.0 +167.07042 2075283.0 +224.092 50305.0 +224.12801 22894.0 + +COMPOUND_NAME: Fenobucarb SCANNUMBER: 2735 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -919,19 +920,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fenobucarb RETENTION_TIME: 5.279047 PRECURSOR_MZ: 208.1339 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -95.04929 2304002.0 -151.1118 339052.0 -152.07103 1283617.0 -208.13309 261671.0 -208.15242 67196.0 - +95.04929 2304002.0 +151.1118 339052.0 +152.07103 1283617.0 +208.13309 261671.0 +208.15242 67196.0 + +COMPOUND_NAME: Flufenoxuron SCANNUMBER: 7794 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -944,23 +945,23 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Flufenoxuron RETENTION_TIME: 7.258582 PRECURSOR_MZ: 489.044 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fluometuron SCANNUMBER: 1879 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -973,28 +974,28 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fluometuron RETENTION_TIME: 4.295248 PRECURSOR_MZ: 233.0903 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Forchlorfenuron SCANNUMBER: 3521 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1007,20 +1008,20 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Forchlorfenuron RETENTION_TIME: 6.068144 PRECURSOR_MZ: 248.0593 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +93.04498 1144138.0 +94.06544 222850.0 +111.05567 15214406.0 +129.02182 20609304.0 +137.03458 1954463.0 +155.00107 2962225.0 + +COMPOUND_NAME: 3-Hydroxycarbofuran SCANNUMBER: 1109 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1033,21 +1034,21 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: 3-Hydroxycarbofuran RETENTION_TIME: 2.534817 PRECURSOR_MZ: 238.1075 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Indoxacarb SCANNUMBER: 7519 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1060,52 +1061,52 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Indoxacarb RETENTION_TIME: 7.23968 PRECURSOR_MZ: 528.0795 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Iprovalicarb SCANNUMBER: 3798 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1118,23 +1119,23 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Iprovalicarb RETENTION_TIME: 6.291288 PRECURSOR_MZ: 321.218 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Isoproturon SCANNUMBER: 2221 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1147,41 +1148,41 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Isoproturon RETENTION_TIME: 4.953308 PRECURSOR_MZ: 207.1494 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Linuron SCANNUMBER: 3991 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1194,31 +1195,31 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Linuron RETENTION_TIME: 6.428301 PRECURSOR_MZ: 249.0202 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Metobromuron SCANNUMBER: 2948 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1231,29 +1232,29 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Metobromuron RETENTION_TIME: 5.555997 PRECURSOR_MZ: 259.0081 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Monolinuron SCANNUMBER: 2345 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1266,30 +1267,30 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Monolinuron RETENTION_TIME: 5.086284 PRECURSOR_MZ: 215.0587 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fenoxycarb SCANNUMBER: 6056 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1302,18 +1303,18 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fenoxycarb RETENTION_TIME: 7.007411 PRECURSOR_MZ: 302.1392 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 4 -88.03963 3398675.0 -116.07085 7870537.0 -256.09756 3714539.0 -302.13986 4154405.0 - +88.03963 3398675.0 +116.07085 7870537.0 +256.09756 3714539.0 +302.13986 4154405.0 + +COMPOUND_NAME: Fenuron SCANNUMBER: 1173 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1326,22 +1327,22 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fenuron RETENTION_TIME: 2.603287 PRECURSOR_MZ: 165.1026 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Isoprocarb SCANNUMBER: 2001 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1354,18 +1355,18 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Isoprocarb RETENTION_TIME: 4.552796 PRECURSOR_MZ: 194.1181 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 4 -95.04929 1741248.0 -137.09615 1255669.0 -152.07103 658146.0 -194.11743 393850.0 - +95.04929 1741248.0 +137.09615 1255669.0 +152.07103 658146.0 +194.11743 393850.0 + +COMPOUND_NAME: Pyraclostrobin SCANNUMBER: 8910 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1378,25 +1379,25 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Pyraclostrobin RETENTION_TIME: 7.421628 PRECURSOR_MZ: 388.107 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Siduron_1 SCANNUMBER: 3358 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1409,22 +1410,22 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Siduron_1 RETENTION_TIME: 5.922128 PRECURSOR_MZ: 233.1652 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Siduron_2 SCANNUMBER: 3451 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1437,22 +1438,22 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Siduron_2 RETENTION_TIME: 6.048454 PRECURSOR_MZ: 233.1654 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Thiobencarb SCANNUMBER: 6489 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1465,17 +1466,17 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Thiobencarb RETENTION_TIME: 7.094566 PRECURSOR_MZ: 258.0717 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 3 -89.03883 1114558.0 -98.99973 585236.0 -125.01533 28327212.0 - +89.03883 1114558.0 +98.99973 585236.0 +125.01533 28327212.0 + +COMPOUND_NAME: Triflumuron SCANNUMBER: 5946 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1488,21 +1489,21 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Triflumuron RETENTION_TIME: 6.978649 PRECURSOR_MZ: 359.0412 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Propham SCANNUMBER: 3629 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1515,27 +1516,27 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Propham RETENTION_TIME: 6.134321 PRECURSOR_MZ: 180.1022 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Propoxur SCANNUMBER: 1562 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1548,20 +1549,20 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Propoxur RETENTION_TIME: 3.894733 PRECURSOR_MZ: 210.1129 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +93.03366 11976.0 +111.04436 1112660.0 +153.09126 254920.0 +168.06589 785437.0 +199.97662 26875.0 +210.11256 38244.0 + +COMPOUND_NAME: Neburon SCANNUMBER: 4942 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1574,26 +1575,26 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Neburon RETENTION_TIME: 6.834164 PRECURSOR_MZ: 275.0721 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Pirimicarb SCANNUMBER: 1410 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1606,30 +1607,30 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Pirimicarb RETENTION_TIME: 2.886323 PRECURSOR_MZ: 239.1508 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Promecarb SCANNUMBER: 3089 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1642,17 +1643,17 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Promecarb RETENTION_TIME: 5.65392 PRECURSOR_MZ: 208.1339 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 3 -109.0651 1911986.0 -151.1118 3833728.0 -208.13309 173991.0 - +109.0651 1911986.0 +151.1118 3833728.0 +208.13309 173991.0 + +COMPOUND_NAME: Ametryn SCANNUMBER: 2984 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1665,29 +1666,29 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Ametryn RETENTION_TIME: 4.38309 PRECURSOR_MZ: 228.1282 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Azoxystrobin SCANNUMBER: 7002 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1700,60 +1701,60 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Azoxystrobin RETENTION_TIME: 6.9269 PRECURSOR_MZ: 404.1249 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Benalaxyl SCANNUMBER: 7850 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1766,22 +1767,22 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Benalaxyl RETENTION_TIME: 7.079875 PRECURSOR_MZ: 326.1756 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Boscalid SCANNUMBER: 6328 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1794,41 +1795,41 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Boscalid RETENTION_TIME: 6.811709 PRECURSOR_MZ: 343.0408 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Carbetamide SCANNUMBER: 2756 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1841,26 +1842,26 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Carbetamide RETENTION_TIME: 3.923062 PRECURSOR_MZ: 237.1238 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Carfentrazone ethyl SCANNUMBER: 6914 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1873,89 +1874,89 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Carfentrazone ethyl RETENTION_TIME: 6.898515 PRECURSOR_MZ: 412.045 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 -183.99632 81664.0 -186.01216 91455.0 -194.98845 136592.0 -195.99637 326492.0 -197.00471 52605.0 -201.9623 154634.0 -203.97847 447264.0 -204.96245 1832179.0 -206.02895 92544.0 -207.03662 171674.0 -209.02803 384802.0 -209.99982 113563.0 -211.00719 472507.0 -212.01517 66934.0 -213.00288 312895.0 -214.01096 51013.0 -215.02534 55407.0 -220.9915 95557.0 -221.97609 58129.0 -222.00006 181469.0 -223.00748 74723.0 -223.9912 1241221.0 -226.03568 99992.0 -227.98999 56867.0 -228.9734 154659.0 -228.99759 849754.0 -229.9576 291454.0 -230.96507 364210.0 -231.97353 309882.0 -232.98094 634253.0 -233.00957 190835.0 -233.99303 64478.0 -236.01566 50291.0 -239.00291 79639.0 -240.99757 4112806.0 -242.00581 1279056.0 -246.98367 100821.0 -248.98016 83634.0 -248.9865 48588.0 -249.9944 112801.0 -251.02658 84213.0 -252.03403 720952.0 -256.96869 464576.0 -257.95212 120792.0 -258.96021 600062.0 -261.00433 486923.0 -268.00449 56951.0 -268.99277 70677.0 -270.00082 107703.0 -270.98462 439596.0 -274.97897 367619.0 -276.97476 4577284.0 -280.02945 127558.0 -282.0246 396042.0 -284.96323 117220.0 -288.01102 1894072.0 -290.03122 319337.0 -298.97946 85527.0 -302.03137 2921622.0 -303.0383 181158.0 -316.00662 372285.0 -318.00153 484008.0 -320.04153 58056.0 -338.00775 410316.0 -345.99677 2618042.0 - +87.03558 102938.0 +92.03108 108928.0 +140.99028 93612.0 +168.00159 290200.0 +168.98535 256214.0 +169.00954 280404.0 +169.99326 139258.0 +176.0387 59605.0 +176.96758 2472383.0 +183.0123 267100.0 +183.99632 81664.0 +186.01216 91455.0 +194.98845 136592.0 +195.99637 326492.0 +197.00471 52605.0 +201.9623 154634.0 +203.97847 447264.0 +204.96245 1832179.0 +206.02895 92544.0 +207.03662 171674.0 +209.02803 384802.0 +209.99982 113563.0 +211.00719 472507.0 +212.01517 66934.0 +213.00288 312895.0 +214.01096 51013.0 +215.02534 55407.0 +220.9915 95557.0 +221.97609 58129.0 +222.00006 181469.0 +223.00748 74723.0 +223.9912 1241221.0 +226.03568 99992.0 +227.98999 56867.0 +228.9734 154659.0 +228.99759 849754.0 +229.9576 291454.0 +230.96507 364210.0 +231.97353 309882.0 +232.98094 634253.0 +233.00957 190835.0 +233.99303 64478.0 +236.01566 50291.0 +239.00291 79639.0 +240.99757 4112806.0 +242.00581 1279056.0 +246.98367 100821.0 +248.98016 83634.0 +248.9865 48588.0 +249.9944 112801.0 +251.02658 84213.0 +252.03403 720952.0 +256.96869 464576.0 +257.95212 120792.0 +258.96021 600062.0 +261.00433 486923.0 +268.00449 56951.0 +268.99277 70677.0 +270.00082 107703.0 +270.98462 439596.0 +274.97897 367619.0 +276.97476 4577284.0 +280.02945 127558.0 +282.0246 396042.0 +284.96323 117220.0 +288.01102 1894072.0 +290.03122 319337.0 +298.97946 85527.0 +302.03137 2921622.0 +303.0383 181158.0 +316.00662 372285.0 +318.00153 484008.0 +320.04153 58056.0 +338.00775 410316.0 +345.99677 2618042.0 + +COMPOUND_NAME: Chlorantraniliprole SCANNUMBER: 5260 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1968,18 +1969,18 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Chlorantraniliprole RETENTION_TIME: 6.589343 PRECURSOR_MZ: 481.9785 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 4 -283.92297 5735542.0 -450.93774 4907420.0 -463.96796 71876.0 -481.97949 1501231.0 - +283.92297 5735542.0 +450.93774 4907420.0 +463.96796 71876.0 +481.97949 1501231.0 + +COMPOUND_NAME: Clofentezine SCANNUMBER: 9818 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -1992,19 +1993,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Clofentezine RETENTION_TIME: 7.397017 PRECURSOR_MZ: 303.0207 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -92.0498 44376.0 -102.03414 382179.0 -120.04463 495630.0 -130.04021 2783936.0 -138.01057 2494447.0 - +92.0498 44376.0 +102.03414 382179.0 +120.04463 495630.0 +130.04021 2783936.0 +138.01057 2494447.0 + +COMPOUND_NAME: Cyprodinil SCANNUMBER: 5584 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2017,82 +2018,82 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Cyprodinil RETENTION_TIME: 6.669806 PRECURSOR_MZ: 226.1346 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Cyromazine_1 SCANNUMBER: 614 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2105,23 +2106,23 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Cyromazine_1 RETENTION_TIME: 0.7250975 PRECURSOR_MZ: 167.1043 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Cyromazine_2 SCANNUMBER: 946 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2134,26 +2135,26 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Cyromazine_2 RETENTION_TIME: 1.057777 PRECURSOR_MZ: 167.1043 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Dimoxystrobin SCANNUMBER: 7508 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2166,39 +2167,39 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Dimoxystrobin RETENTION_TIME: 7.042906 PRECURSOR_MZ: 327.1716 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fenazaquin SCANNUMBER: 11226 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2211,28 +2212,28 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fenazaquin RETENTION_TIME: 7.977267 PRECURSOR_MZ: 307.1813 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fenhexamid SCANNUMBER: 5614 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2245,20 +2246,20 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fenhexamid RETENTION_TIME: 6.679342 PRECURSOR_MZ: 302.0717 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +95.01299 111399.0 +97.10134 4001007.0 +142.00574 470488.0 +143.0134 1124724.0 +177.98218 162637.0 +302.0708 49250.0 + +COMPOUND_NAME: Fenpyroximate SCANNUMBER: 10879 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2271,104 +2272,104 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fenpyroximate RETENTION_TIME: 7.825895 PRECURSOR_MZ: 422.2081 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 -104.04984 232471.0 -106.06546 218843.0 -107.02439 77423.0 -107.04966 430579.0 -109.04004 148437.0 -110.0716 266167.0 -111.05566 267693.0 -112.06348 143921.0 -113.07121 165810.0 -117.05774 475621.0 -118.06553 207059.0 -121.0638 98676.0 -121.07632 211577.0 -122.07175 1015735.0 -123.05569 588803.0 -124.05084 136544.0 -129.05762 234973.0 -130.06567 646047.0 -131.06102 64470.0 -131.07352 162979.0 -132.04504 124496.0 -132.06866 204911.0 -135.04469 1656891.0 -136.05099 82782.0 -137.05911 95506.0 -138.06671 5569473.0 -139.0507 103856.0 -141.05769 86459.0 -142.05298 63910.0 -142.0657 196862.0 -143.06068 233150.0 -143.07355 214610.0 -144.0448 925002.0 -144.06847 64229.0 -144.08099 258802.0 -145.0527 116335.0 -145.06537 86828.0 -145.07661 796518.0 -146.06033 143788.0 -146.08401 227348.0 -155.04976 327910.0 -155.06065 279544.0 -156.06877 75745.0 -157.05295 67758.0 -157.0614 631707.0 -157.0762 440265.0 -158.06033 63862.0 -158.08434 1135306.0 -159.06828 1092296.0 -159.09198 191557.0 -160.07613 68662.0 -169.07677 248853.0 -170.06049 475510.0 -170.0843 65958.0 -171.05582 124587.0 -171.09184 186652.0 -172.07626 63322.0 -172.08717 90299.0 -173.07166 613565.0 -174.07939 186701.0 -174.10281 124566.0 -183.0555 60224.0 -185.0714 282332.0 -186.05576 83272.0 -186.10275 837404.0 -187.08711 307005.0 -187.11115 179545.0 -188.08208 68182.0 -188.09454 56664.0 -189.10245 172485.0 -197.0715 161124.0 -198.07919 265419.0 -199.07426 148687.0 -199.08707 368116.0 -200.08215 638373.0 -201.10309 239504.0 -202.09793 790032.0 -214.09836 4878472.0 -215.10576 1548726.0 -230.09335 285190.0 -231.10078 772223.0 -366.14682 271014.0 - 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+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 + +COMPOUND_NAME: Furalaxyl SCANNUMBER: 3970 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2560,15 +2561,15 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Furalaxyl RETENTION_TIME: 6.193638 PRECURSOR_MZ: 302.1392 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 1 -95.01299 22120298.0 - +95.01299 22120298.0 + +COMPOUND_NAME: Imazalil SCANNUMBER: 2732 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2581,31 +2582,31 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Imazalil RETENTION_TIME: 3.913752 PRECURSOR_MZ: 297.0566 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - 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+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 + +COMPOUND_NAME: Mandipropamid SCANNUMBER: 7168 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2674,19 +2675,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Mandipropamid RETENTION_TIME: 6.964275 PRECURSOR_MZ: 412.1314 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -204.10207 530532.0 -328.11053 16472820.0 -356.10495 7175862.0 -412.04471 215694.0 -412.13226 2828841.0 - 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+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 + +COMPOUND_NAME: Metaflumizone SCANNUMBER: 8648 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2854,47 +2855,47 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Metaflumizone RETENTION_TIME: 7.19479 PRECURSOR_MZ: 507.1251 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Metalaxyl SCANNUMBER: 3592 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2907,38 +2908,38 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Metalaxyl RETENTION_TIME: 5.550616 PRECURSOR_MZ: 280.1547 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Myclobutanil SCANNUMBER: 4181 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2951,32 +2952,32 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Myclobutanil RETENTION_TIME: 6.259462 PRECURSOR_MZ: 289.1221 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Oxadixyl SCANNUMBER: 3029 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -2989,21 +2990,21 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Oxadixyl RETENTION_TIME: 4.402048 PRECURSOR_MZ: 279.1344 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Prochloraz SCANNUMBER: 7968 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3016,17 +3017,17 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Prochloraz RETENTION_TIME: 7.089308 PRECURSOR_MZ: 376.0388 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 3 -265.95453 2776909.0 -308.00125 53942956.0 -376.03964 3704219.0 - +265.95453 2776909.0 +308.00125 53942956.0 +376.03964 3704219.0 + +COMPOUND_NAME: Prometon_1 SCANNUMBER: 2214 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3039,30 +3040,30 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Prometon_1 RETENTION_TIME: 3.185351 PRECURSOR_MZ: 226.1667 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Prometon_2 SCANNUMBER: 2376 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3075,36 +3076,36 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Prometon_2 RETENTION_TIME: 3.288845 PRECURSOR_MZ: 226.1663 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Pymetrozine SCANNUMBER: 1328 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3117,16 +3118,16 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Pymetrozine RETENTION_TIME: 1.373368 PRECURSOR_MZ: 218.1044 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 2 -96.04461 383408.0 -105.04506 15166273.0 - +96.04461 383408.0 +105.04506 15166273.0 + +COMPOUND_NAME: Pyracarbolid SCANNUMBER: 3243 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3139,22 +3140,22 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Pyracarbolid RETENTION_TIME: 4.72542 PRECURSOR_MZ: 218.1182 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Pyrimethanil SCANNUMBER: 3684 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3167,57 +3168,57 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Pyrimethanil RETENTION_TIME: 5.598423 PRECURSOR_MZ: 200.1186 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Pyriproxyfen SCANNUMBER: 10159 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3230,35 +3231,35 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Pyriproxyfen RETENTION_TIME: 7.483148 PRECURSOR_MZ: 322.1441 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Mepronil SCANNUMBER: 5448 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3271,22 +3272,22 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Mepronil RETENTION_TIME: 6.63015 PRECURSOR_MZ: 270.1492 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Spiroxamine_2 SCANNUMBER: 3190 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3299,18 +3300,18 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Spiroxamine_2 RETENTION_TIME: 4.628222 PRECURSOR_MZ: 298.2747 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 4 -100.11219 10585697.0 -102.09142 415934.0 -126.12786 286929.0 -144.13857 10367585.0 - +100.11219 10585697.0 +102.09142 415934.0 +126.12786 286929.0 +144.13857 10367585.0 + +COMPOUND_NAME: Tebufenpyrad SCANNUMBER: 8797 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3323,31 +3324,31 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Tebufenpyrad RETENTION_TIME: 7.223254 PRECURSOR_MZ: 334.1692 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Terbumeton_1 SCANNUMBER: 2214 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3360,30 +3361,30 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Terbumeton_1 RETENTION_TIME: 3.185351 PRECURSOR_MZ: 226.1667 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Terbumeton_2 SCANNUMBER: 2376 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3396,36 +3397,36 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Terbumeton_2 RETENTION_TIME: 3.288845 PRECURSOR_MZ: 226.1663 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Triadimefon SCANNUMBER: 4753 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3438,48 +3439,48 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Triadimefon RETENTION_TIME: 6.495691 PRECURSOR_MZ: 294.101 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Trifloxystrobin SCANNUMBER: 8085 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3492,34 +3493,34 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Trifloxystrobin RETENTION_TIME: 7.117416 PRECURSOR_MZ: 409.1378 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Zoxamide SCANNUMBER: 7511 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3532,21 +3533,21 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Zoxamide RETENTION_TIME: 7.042906 PRECURSOR_MZ: 336.0327 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Quinoxyfen SCANNUMBER: 10658 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3559,42 +3560,42 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Quinoxyfen RETENTION_TIME: 7.693292 PRECURSOR_MZ: 308.0046 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Rotenone SCANNUMBER: 10564 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3607,132 +3608,132 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Rotenone RETENTION_TIME: 7.674882 PRECURSOR_MZ: 395.1498 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - 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+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 + +COMPOUND_NAME: Spiroxamine_1 SCANNUMBER: 3100 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3823,18 +3824,18 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Spiroxamine_1 RETENTION_TIME: 4.508498 PRECURSOR_MZ: 298.2746 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 4 -100.11219 3396827.0 -102.09142 137060.0 -126.12786 85740.0 -144.13857 3215019.0 - +100.11219 3396827.0 +102.09142 137060.0 +126.12786 85740.0 +144.13857 3215019.0 + +COMPOUND_NAME: Acibenzolar-S-methyl SCANNUMBER: 6504 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -3847,33 +3848,33 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Acibenzolar-S-methyl RETENTION_TIME: 7.209623 PRECURSOR_MZ: 210.9997 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - 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+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 + +COMPOUND_NAME: Clothianidin SCANNUMBER: 1358 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4230,26 +4231,26 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Clothianidin RETENTION_TIME: 2.767634 PRECURSOR_MZ: 250.0162 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Cyazofamid SCANNUMBER: 4651 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4262,28 +4263,28 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Cyazofamid RETENTION_TIME: 6.824718 PRECURSOR_MZ: 325.0526 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Ethiprole SCANNUMBER: 2873 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4296,25 +4297,25 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Ethiprole RETENTION_TIME: 5.828761 PRECURSOR_MZ: 396.991 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Ethofumesate SCANNUMBER: 3176 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4327,24 +4328,24 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Ethofumesate RETENTION_TIME: 6.01901 PRECURSOR_MZ: 287.0957 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fenamidone SCANNUMBER: 4022 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4357,37 +4358,37 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fenamidone RETENTION_TIME: 6.626915 PRECURSOR_MZ: 312.1172 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fipronil SCANNUMBER: 3428 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4400,58 +4401,58 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fipronil RETENTION_TIME: 6.367518 PRECURSOR_MZ: 436.9474 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Flufenacet SCANNUMBER: 3663 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4464,19 +4465,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Flufenacet RETENTION_TIME: 6.476889 PRECURSOR_MZ: 364.0744 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -124.05603 201655.0 -152.0509 5487354.0 -152.08713 528888.0 -194.09782 19271964.0 -364.07422 2107439.0 - +124.05603 201655.0 +152.0509 5487354.0 +152.08713 528888.0 +194.09782 19271964.0 +364.07422 2107439.0 + +COMPOUND_NAME: Hexythiazox SCANNUMBER: 7986 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4489,32 +4490,32 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Hexythiazox RETENTION_TIME: 7.46046 PRECURSOR_MZ: 353.1096 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Mefenacet SCANNUMBER: 6090 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4527,24 +4528,24 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Mefenacet RETENTION_TIME: 7.143147 PRECURSOR_MZ: 299.0857 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Mesotrione SCANNUMBER: 1880 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4557,35 +4558,35 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Mesotrione RETENTION_TIME: 4.438974 PRECURSOR_MZ: 340.0492 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Methoprotryne SCANNUMBER: 2365 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4598,29 +4599,29 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Methoprotryne RETENTION_TIME: 4.953537 PRECURSOR_MZ: 272.1545 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Metribuzin SCANNUMBER: 1932 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4633,76 +4634,76 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Metribuzin RETENTION_TIME: 4.458099 PRECURSOR_MZ: 215.0965 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Prometryne SCANNUMBER: 2407 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4715,29 +4716,29 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Prometryne RETENTION_TIME: 4.990861 PRECURSOR_MZ: 242.1439 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Pyridaben SCANNUMBER: 8415 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4750,17 +4751,17 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Pyridaben RETENTION_TIME: 7.556859 PRECURSOR_MZ: 365.1459 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 3 -147.11726 1746679.0 -309.0834 39061400.0 -365.14478 6893662.0 - +147.11726 1746679.0 +309.0834 39061400.0 +365.14478 6893662.0 + +COMPOUND_NAME: Simetryn SCANNUMBER: 1608 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4773,26 +4774,26 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Simetryn RETENTION_TIME: 3.75983 PRECURSOR_MZ: 214.1124 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Sulfentrazone SCANNUMBER: 2110 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4805,62 +4806,62 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Sulfentrazone RETENTION_TIME: 4.825635 PRECURSOR_MZ: 386.99 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Terbutryn SCANNUMBER: 2407 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4873,29 +4874,29 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Terbutryn RETENTION_TIME: 4.990861 PRECURSOR_MZ: 242.1439 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Thiabendazole SCANNUMBER: 1232 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4908,21 +4909,21 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Thiabendazole RETENTION_TIME: 2.44406 PRECURSOR_MZ: 202.0437 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Thiacloprid SCANNUMBER: 1685 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4935,20 +4936,20 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Thiacloprid RETENTION_TIME: 4.159843 PRECURSOR_MZ: 253.0315 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +90.03403 1177314.0 +91.04182 256154.0 +98.99973 1052050.0 +108.0446 146293.0 +126.01085 11655971.0 +144.02113 633179.0 + +COMPOUND_NAME: Thiamethoxam SCANNUMBER: 1108 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4961,24 +4962,24 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Thiamethoxam RETENTION_TIME: 2.35524 PRECURSOR_MZ: 292.0273 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Tricyclazole SCANNUMBER: 2638 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -4991,24 +4992,24 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Tricyclazole RETENTION_TIME: 5.514598 PRECURSOR_MZ: 190.0439 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fenarimol SCANNUMBER: 2801 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5021,74 +5022,74 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fenarimol RETENTION_TIME: 6.876775 PRECURSOR_MZ: 331.0412 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fenbuconazole SCANNUMBER: 3202 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5101,23 +5102,23 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fenbuconazole RETENTION_TIME: 7.045859 PRECURSOR_MZ: 337.1223 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fluquinconazole SCANNUMBER: 3422 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5130,36 +5131,36 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fluquinconazole RETENTION_TIME: 7.093534 PRECURSOR_MZ: 376.0173 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Flutriafol SCANNUMBER: 1408 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5172,25 +5173,25 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Flutriafol RETENTION_TIME: 5.240544 PRECURSOR_MZ: 302.1111 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fuberidazole SCANNUMBER: 1202 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5203,29 +5204,29 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fuberidazole RETENTION_TIME: 2.456748 PRECURSOR_MZ: 185.0715 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Cyproconazole_1 SCANNUMBER: 1619 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5238,18 +5239,18 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Cyproconazole_1 RETENTION_TIME: 6.138374 PRECURSOR_MZ: 292.122 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 4 -89.03882 111896.0 -125.01532 6537308.0 -138.99483 329090.0 -139.00581 166501.0 - +89.03882 111896.0 +125.01532 6537308.0 +138.99483 329090.0 +139.00581 166501.0 + +COMPOUND_NAME: Cyproconazole_2 SCANNUMBER: 1786 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5262,18 +5263,18 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Cyproconazole_2 RETENTION_TIME: 6.36811 PRECURSOR_MZ: 292.1225 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 4 -89.03882 144933.0 -125.01532 8553550.0 -138.99483 403028.0 -139.00581 198856.0 - +89.03882 144933.0 +125.01532 8553550.0 +138.99483 403028.0 +139.00581 198856.0 + +COMPOUND_NAME: Diclobutrazol SCANNUMBER: 2657 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5286,25 +5287,25 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Diclobutrazol RETENTION_TIME: 6.830443 PRECURSOR_MZ: 328.0983 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Difenoconazole SCANNUMBER: 4342 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5317,27 +5318,27 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Difenoconazole RETENTION_TIME: 7.351549 PRECURSOR_MZ: 406.0727 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Diniconazole SCANNUMBER: 3119 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5350,66 +5351,66 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Diniconazole RETENTION_TIME: 6.999194 PRECURSOR_MZ: 326.0832 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Epoxiconazole SCANNUMBER: 3124 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5422,26 +5423,26 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Epoxiconazole RETENTION_TIME: 6.999194 PRECURSOR_MZ: 330.0806 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Etaconazole SCANNUMBER: 2581 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5454,24 +5455,24 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Etaconazole RETENTION_TIME: 6.802904 PRECURSOR_MZ: 328.0626 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Ethirimol SCANNUMBER: 1043 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5484,46 +5485,46 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Ethirimol RETENTION_TIME: 2.246086 PRECURSOR_MZ: 210.1608 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Hexaconazole SCANNUMBER: 2543 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5536,30 +5537,30 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Hexaconazole RETENTION_TIME: 6.793731 PRECURSOR_MZ: 314.0833 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Ipconazole SCANNUMBER: 3476 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5572,32 +5573,32 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Ipconazole RETENTION_TIME: 7.112235 PRECURSOR_MZ: 334.1694 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Metconazole SCANNUMBER: 3161 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5610,27 +5611,27 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Metconazole RETENTION_TIME: 7.017605 PRECURSOR_MZ: 320.1538 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Nuarimol SCANNUMBER: 1883 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5643,73 +5644,73 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Nuarimol RETENTION_TIME: 6.452959 PRECURSOR_MZ: 315.0705 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Paclobutrazol SCANNUMBER: 1764 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5722,36 +5723,36 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Paclobutrazol RETENTION_TIME: 6.358851 PRECURSOR_MZ: 294.1362 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Penconazole SCANNUMBER: 2459 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5764,19 +5765,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Penconazole RETENTION_TIME: 6.747501 PRECURSOR_MZ: 284.0724 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -102.04659 746383.0 -122.99965 1405085.0 -137.01562 2859486.0 -158.97626 62049868.0 -172.99223 3885430.0 - +102.04659 746383.0 +122.99965 1405085.0 +137.01562 2859486.0 +158.97626 62049868.0 +172.99223 3885430.0 + +COMPOUND_NAME: Propiconazole SCANNUMBER: 3131 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5789,19 +5790,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Propiconazole RETENTION_TIME: 6.999194 PRECURSOR_MZ: 342.0777 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -122.99965 303053.0 -158.97626 24240670.0 -172.9556 1323126.0 -186.97108 391981.0 -190.96622 431621.0 - +122.99965 303053.0 +158.97626 24240670.0 +172.9556 1323126.0 +186.97108 391981.0 +190.96622 431621.0 + +COMPOUND_NAME: Tebuconazole SCANNUMBER: 2993 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5814,29 +5815,29 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Tebuconazole RETENTION_TIME: 6.933391 PRECURSOR_MZ: 308.1532 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Tetraconazole SCANNUMBER: 1845 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5849,20 +5850,20 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Tetraconazole RETENTION_TIME: 6.434036 PRECURSOR_MZ: 372.0302 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +115.05463 210733.0 +149.01559 493803.0 +150.02344 1143618.0 +158.97679 15780315.0 +176.96693 301907.0 +184.99236 249943.0 + +COMPOUND_NAME: Triflumizole SCANNUMBER: 2640 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5875,16 +5876,16 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Triflumizole RETENTION_TIME: 6.821252 PRECURSOR_MZ: 346.094 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 2 -278.05542 29552484.0 -346.09351 955540.0 - +278.05542 29552484.0 +346.09351 955540.0 + +COMPOUND_NAME: Triticonazole SCANNUMBER: 2549 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5897,73 +5898,73 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Triticonazole RETENTION_TIME: 6.793731 PRECURSOR_MZ: 318.1369 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Spinetoram L SCANNUMBER: 3229 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -5976,35 +5977,35 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Spinetoram L RETENTION_TIME: 6.970665 PRECURSOR_MZ: 760.5021 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Emamectin benzoate SCANNUMBER: 3373 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6017,25 +6018,25 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Emamectin benzoate RETENTION_TIME: 6.999389 PRECURSOR_MZ: 886.5328 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Fenpropimorph SCANNUMBER: 1283 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6048,28 +6049,28 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Fenpropimorph RETENTION_TIME: 4.613603 PRECURSOR_MZ: 304.2642 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Spirodiclofen SCANNUMBER: 4501 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6082,17 +6083,17 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Spirodiclofen RETENTION_TIME: 7.279784 PRECURSOR_MZ: 411.1127 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 3 -313.03357 548684.0 -313.03952 12618725.0 -411.11246 2380661.0 - +313.03357 548684.0 +313.03952 12618725.0 +411.11246 2380661.0 + +COMPOUND_NAME: Spinosad SCANNUMBER: 2899 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6105,38 +6106,38 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Spinosad RETENTION_TIME: 6.884336 PRECURSOR_MZ: 732.4695 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Spirotetramat SCANNUMBER: 1978 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6149,39 +6150,39 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Spirotetramat RETENTION_TIME: 6.637813 PRECURSOR_MZ: 374.1972 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Spinetoram J SCANNUMBER: 2785 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6194,33 +6195,33 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Spinetoram J RETENTION_TIME: 6.875065 PRECURSOR_MZ: 748.4996 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Hydramethylnon SCANNUMBER: 1646 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6233,62 +6234,62 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Hydramethylnon RETENTION_TIME: 6.67979 PRECURSOR_MZ: 495.1986 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Aminocarb_1 SCANNUMBER: 742 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6301,19 +6302,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Aminocarb_1 RETENTION_TIME: 0.8035756 PRECURSOR_MZ: 209.129 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -120.05733 176701.0 -122.06016 1917070.0 -136.07611 928093.0 -137.08363 8823033.0 -152.10725 186336.0 - +120.05733 176701.0 +122.06016 1917070.0 +136.07611 928093.0 +137.08363 8823033.0 +152.10725 186336.0 + +COMPOUND_NAME: Aminocarb_2 SCANNUMBER: 1198 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6326,19 +6327,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Aminocarb_2 RETENTION_TIME: 1.13997 PRECURSOR_MZ: 209.129 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -120.05733 247123.0 -122.06016 2666029.0 -136.07611 1253139.0 -137.08363 12201258.0 -152.10725 242082.0 - +120.05733 247123.0 +122.06016 2666029.0 +136.07611 1253139.0 +137.08363 12201258.0 +152.10725 242082.0 + +COMPOUND_NAME: Propamocarb_1 SCANNUMBER: 687 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6351,16 +6352,16 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Propamocarb_1 RETENTION_TIME: 0.7535679 PRECURSOR_MZ: 189.1603 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 2 -86.0966 201548.0 -102.05516 5038638.0 - +86.0966 201548.0 +102.05516 5038638.0 + +COMPOUND_NAME: Propamocarb_2 SCANNUMBER: 1108 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6373,16 +6374,16 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Propamocarb_2 RETENTION_TIME: 1.081971 PRECURSOR_MZ: 189.1603 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 2 -86.0966 107829.0 -102.05516 2507023.0 - +86.0966 107829.0 +102.05516 2507023.0 + +COMPOUND_NAME: Formetanate_1 SCANNUMBER: 711 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6395,27 +6396,27 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Formetanate_1 RETENTION_TIME: 0.7730471 PRECURSOR_MZ: 222.1239 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Formetanate_2 SCANNUMBER: 1161 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6428,29 +6429,29 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Formetanate_2 RETENTION_TIME: 1.13043 PRECURSOR_MZ: 222.1239 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap 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 - +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 + +COMPOUND_NAME: Mexacarbate SCANNUMBER: 1328 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6463,19 +6464,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Mexacarbate RETENTION_TIME: 1.682191 PRECURSOR_MZ: 223.1443 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -134.07283 2632951.0 -136.07611 26036728.0 -150.092 1572118.0 -151.09932 54847764.0 -166.12282 1541928.0 - +134.07283 2632951.0 +136.07611 26036728.0 +150.092 1572118.0 +151.09932 54847764.0 +166.12282 1541928.0 + +COMPOUND_NAME: Monceren SCANNUMBER: 3999 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6488,19 +6489,19 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Monceren RETENTION_TIME: 7.14553 PRECURSOR_MZ: 329.1426 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 5 -89.03881 550831.0 -94.06543 635265.0 -106.06545 446416.0 -125.01307 512150.0 -125.01532 37442116.0 - +89.03881 550831.0 +94.06543 635265.0 +106.06545 446416.0 +125.01307 512150.0 +125.01532 37442116.0 + +COMPOUND_NAME: Desmedipham SCANNUMBER: 2271 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6513,17 +6514,17 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Desmedipham RETENTION_TIME: 6.430396 PRECURSOR_MZ: 301.1192 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 3 -136.03947 1773399.0 -154.04993 1002798.0 -182.08162 6480130.0 - +136.03947 1773399.0 +154.04993 1002798.0 +182.08162 6480130.0 + +COMPOUND_NAME: Phenmedipham SCANNUMBER: 2458 IONMODE: Positive SPECTRUMTYPE: Centroid @@ -6536,13 +6537,12 @@ IONIZATION: ESI+ LICENSE: CC BY-NC COMMENT: -COMPOUND_NAME: Phenmedipham RETENTION_TIME: 6.570995 PRECURSOR_MZ: 301.1185 ADDUCT: [M+H]+ COLLISION_ENERGY: INSTRUMENT_TYPE: LC-ESI-Orbitrap NUM PEAKS: 2 -136.03947 2596929.0 -168.06587 7038054.0 - +136.03947 2596929.0 +168.06587 7038054.0 +