comparison test-data/convert/msp_out.msp @ 3:9dfcee100f48 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 41db9f6295985e278fd23b61955bbaecd1f32c32

2:86de39226109

SCANNUMBER: 1161
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C4H10NO3PS
INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N
INCHI: 
SMILES: COP(=O)(N=C(O)C)SC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Acephate
RETENTION_TIME: 1.232997
PRECURSOR_MZ: 184.0194
COLLISION_ENERGY: 
NUM PEAKS: 16
90.09368    1128.0
93.11512    1241.0
95.10279    1118.0
101.31465   1152.0

142.99275   16419.0
147.94205   1750.0
173.5094    2353.0

SCANNUMBER: 2257
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H11NO2
INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cccc2c1cccc2)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Carbaryl
RETENTION_TIME: 5.259445
PRECURSOR_MZ: 202.0863
COLLISION_ENERGY: 
NUM PEAKS: 1
145.06491   1326147.0

SCANNUMBER: 1516
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H16NO5P
INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N
INCHI: 
SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Dicrotophos
RETENTION_TIME: 2.025499
PRECURSOR_MZ: 238.0844
COLLISION_ENERGY: 
NUM PEAKS: 5
112.074     102027.0
112.07591   9070987.0
127.01563   3230337.0
193.02605   7897744.0
238.08437   2973124.0

SCANNUMBER: 1865
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C5H12NO3PS2
INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(CSP(=S)(OC)OC)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Dimethoate
RETENTION_TIME: 2.866696
PRECURSOR_MZ: 230.0072
COLLISION_ENERGY: 
NUM PEAKS: 8
88.0219     548446.0
124.98233   183861.0
142.99275   722053.0
156.95422   80792.0

197.98123   240915.0
198.96501   5415933.0
230.00722   497851.0

SCANNUMBER: 3852
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C21H22NO4Cl
INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
INCHI: 
SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Dimethomorph
RETENTION_TIME: 7.060486
PRECURSOR_MZ: 388.1316
COLLISION_ENERGY: 
NUM PEAKS: 22
114.05532   468862.0
125.01571   886745.0
138.99484   4138370.0
155.0705    425164.0

273.06772   3866006.0
286.03912   483547.0
301.06311   4060551.0

SCANNUMBER: 1009
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C2H8NO2PS
INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N
INCHI: 
SMILES: COP(=O)(SC)N
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Methamidophos
RETENTION_TIME: 1.153307
PRECURSOR_MZ: 142.0089
COLLISION_ENERGY: 
NUM PEAKS: 4
98.00042    37721.0
109.98272   71172.0
112.01607   2867923.0
127.99321   75837.0

SCANNUMBER: 1924
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C7H13O6P
INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N
INCHI: 
SMILES: COC(=O)C=C(OP(=O)(OC)OC)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Mevinphos
RETENTION_TIME: 2.876307
PRECURSOR_MZ: 225.0525
COLLISION_ENERGY: 
NUM PEAKS: 4
99.04416    295529.0
127.01563   1960973.0
193.02605   1150190.0
225.05209   101872.0

SCANNUMBER: 1246
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C5H12NO4PS
INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(CSP(=O)(OC)OC)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Omethoate
RETENTION_TIME: 1.33423
PRECURSOR_MZ: 214.0303
COLLISION_ENERGY: 
NUM PEAKS: 5
104.01654   86844.0
124.98233   194375.0
127.01563   4696021.0
128.97701   47970.0
142.99275   4310988.0

SCANNUMBER: 5447
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H20O6P2S3
INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N
INCHI: 
SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Temephos
RETENTION_TIME: 7.736881
PRECURSOR_MZ: 466.9978
COLLISION_ENERGY: 
NUM PEAKS: 44
124.98233   218400.0
125.00596   124192.0
127.01563   590561.0
139.02167   79978.0

356.03104   227870.0
357.03922   75786.0
387.9765    125383.0

SCANNUMBER: 1625
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C4H8O4Cl3P
INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N
INCHI: 
SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Trichlorfon
RETENTION_TIME: 2.242985
PRECURSOR_MZ: 256.9308
COLLISION_ENERGY: 
NUM PEAKS: 4
93.01007    104589.0
97.00512    72293.0
112.99994   32292.0
127.01563   3150219.0

SCANNUMBER: 2002
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H18NO4PS2
INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N
INCHI: 
SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Vamidothion
RETENTION_TIME: 2.914602
PRECURSOR_MZ: 288.0491
COLLISION_ENERGY: 
NUM PEAKS: 3
118.03215   464396.0
146.06366   10321336.0
288.04907   1456244.0

SCANNUMBER: 1209
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C7H14N2O4S
INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Aldicarb sulfone
RETENTION_TIME: 1.483623
PRECURSOR_MZ: 223.075
COLLISION_ENERGY: 
NUM PEAKS: 9
86.06018    763151.0
106.03234   330646.0
120.04782   16624.0
148.03964   11931.0

208.9567    12192.0
223.06381   99297.0
223.07454   90546.0

SCANNUMBER: 4766
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H30N2O5S
INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N
INCHI: 
SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Benfuracarb
RETENTION_TIME: 7.163228
PRECURSOR_MZ: 411.1956
COLLISION_ENERGY: 
NUM PEAKS: 22
90.03748    30498.0
102.00096   69259.0
109.02874   31641.0
111.08049   29319.0

171.0114    23364.0
177.03709   172641.0
195.04765   2265269.0

SCANNUMBER: 1209
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C7H14N2O4S
INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N
INCHI: 
SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Butoxycarboxim
RETENTION_TIME: 1.483623
PRECURSOR_MZ: 223.075
COLLISION_ENERGY: 
NUM PEAKS: 9
86.06018    763151.0
106.03234   330646.0
120.04782   16624.0
148.03964   11931.0

208.9567    12192.0
223.06381   99297.0
223.07454   90546.0

SCANNUMBER: 4928
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H26N2O5S
INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N
INCHI: 
SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Furathiocarb
RETENTION_TIME: 7.19165
PRECURSOR_MZ: 383.1642
COLLISION_ENERGY: 
NUM PEAKS: 49
87.02665    170322.0
90.03748    426298.0
91.05442    232061.0
95.04954    175219.0

177.03709   3978125.0
180.02414   213051.0
195.04765   11849349.0

SCANNUMBER: 3333
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H11N3OS
INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Methabenzthiazuron
RETENTION_TIME: 6.711947
PRECURSOR_MZ: 222.0702
COLLISION_ENERGY: 
NUM PEAKS: 8
92.0498     456372.0
109.01102   367319.0
123.01394   375280.0
124.02193   2568680.0

150.02492   9399192.0
163.03316   152108.0
165.04836   9598566.0

SCANNUMBER: 1984
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H16N4OS
INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Tebuthiuron
RETENTION_TIME: 4.241355
PRECURSOR_MZ: 229.1121
COLLISION_ENERGY: 
NUM PEAKS: 9
88.0219     230604.0
89.01719    2030070.0
101.04233   435137.0
116.0279    20609154.0

156.05936   1133851.0
157.06721   6762498.0
172.09081   12592908.0

SCANNUMBER: 2185
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H8N4OS
INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccccc1)Nc1cnns1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Thidiazuron
RETENTION_TIME: 4.909884
PRECURSOR_MZ: 221.0497
COLLISION_ENERGY: 
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

SCANNUMBER: 2307
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO2S
INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N
INCHI: 
SMILES: CCSCc1ccccc1OC(=NC)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Ethiofencarb
RETENTION_TIME: 5.074083
PRECURSOR_MZ: 226.09
COLLISION_ENERGY: 
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

SCANNUMBER: 2724
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO2S
INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Methiocarb
RETENTION_TIME: 6.352629
PRECURSOR_MZ: 226.0899
COLLISION_ENERGY: 
NUM PEAKS: 4
121.06488   799606.0
122.07284   96691.0
169.06853   4882474.0
226.08951   145633.0

SCANNUMBER: 1753
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H15NO3
INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Carbofuran
RETENTION_TIME: 4.14677
PRECURSOR_MZ: 222.1128
COLLISION_ENERGY: 
NUM PEAKS: 10
91.05442    804154.0
95.04929    737907.0
105.03379   225770.0
105.04506   153330.0

123.04434   10121862.0
137.05997   448261.0
147.08089   104307.0

SCANNUMBER: 4866
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H15N2O2Cl
INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Chloroxuron
RETENTION_TIME: 6.824893
PRECURSOR_MZ: 291.09
COLLISION_ENERGY: 
NUM PEAKS: 34
94.04169    27706.0
98.99973    58512.0
106.06546   243512.0
118.06519   562204.0

233.15379   75598.0
246.03224   40845.0
249.18484   96150.0

SCANNUMBER: 2586
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H13N2OCl
INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Chlortoluron
RETENTION_TIME: 5.193264
PRECURSOR_MZ: 213.0795
COLLISION_ENERGY: 
NUM PEAKS: 14
89.03883    57032.0
95.04929    125786.0
96.04461    17062.0
98.99973    31149.0

140.02612   1662428.0
153.02165   91587.0
168.02145   83345.0

SCANNUMBER: 2273
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H22N2O
INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
INCHI: 
SMILES: CN(C(=NC1CCCCCCC1)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Cycluron
RETENTION_TIME: 5.00998
PRECURSOR_MZ: 199.1809
COLLISION_ENERGY: 
NUM PEAKS: 4
89.07108    1303776.0
111.11694   18709.0
147.92079   14411.0
147.93768   15209.0

SCANNUMBER: 3582
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H21NO4
INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N
INCHI: 
SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Diethofencarb
RETENTION_TIME: 6.124817
PRECURSOR_MZ: 268.1547
COLLISION_ENERGY: 
NUM PEAKS: 7
152.07103   98482.0
180.06563   117586.0
180.10194   441784.0
198.0762    507187.0
208.09682   172166.0
226.10776   6612320.0
268.15411   115526.0

SCANNUMBER: 5619
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H9N2O2ClF2
INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N
INCHI: 
SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Diflubenzuron
RETENTION_TIME: 6.959446
PRECURSOR_MZ: 311.0396
COLLISION_ENERGY: 
NUM PEAKS: 3
141.01498   340685.0
158.04167   9035608.0
311.03952   2283440.0

SCANNUMBER: 3192
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H10N2OCl2
INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Diuron
RETENTION_TIME: 5.711479
PRECURSOR_MZ: 233.0248
COLLISION_ENERGY: 
NUM PEAKS: 8
123.99487   30141.0
125.00295   82231.0
132.96072   233186.0
151.03258   25890.0

159.97182   940217.0
172.96721   73012.0
187.96654   38425.0

SCANNUMBER: 1320
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H13NO4
INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1ccccc1C1OCCO1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Dioxacarb
RETENTION_TIME: 2.808769
PRECURSOR_MZ: 224.092
COLLISION_ENERGY: 
NUM PEAKS: 6
95.04929    26554.0
123.04434   805609.0
162.05486   264649.0
167.07042   1519113.0
208.95668   21966.0
224.12801   18664.0

SCANNUMBER: 1667
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H13NO4
INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Bendiocarb
RETENTION_TIME: 4.036841
PRECURSOR_MZ: 224.092
COLLISION_ENERGY: 
NUM PEAKS: 4
109.02843   576717.0
167.07042   2075283.0
224.092     50305.0
224.12801   22894.0

SCANNUMBER: 2735
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H17NO2
INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N
INCHI: 
SMILES: CCC(c1ccccc1OC(=NC)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fenobucarb
RETENTION_TIME: 5.279047
PRECURSOR_MZ: 208.1339
COLLISION_ENERGY: 
NUM PEAKS: 5
95.04929    2304002.0
151.1118    339052.0
152.07103   1283617.0
208.13309   261671.0
208.15242   67196.0

SCANNUMBER: 7794
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C21H11N2O3ClF6
INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Flufenoxuron
RETENTION_TIME: 7.258582
PRECURSOR_MZ: 489.044
COLLISION_ENERGY: 
NUM PEAKS: 9
140.03102   198040.0
141.01498   8731300.0
141.02489   125031.0
158.04167   5469943.0

328.76389   301405.0
407.68225   401379.0
409.68002   103253.0

SCANNUMBER: 1879
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H11N2OF3
INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fluometuron
RETENTION_TIME: 4.295248
PRECURSOR_MZ: 233.0903
COLLISION_ENERGY: 
NUM PEAKS: 14
133.02617   72647.0
140.03056   412576.0
141.02579   30382.0
145.02599   1001995.0

178.04784   113811.0
188.03226   109696.0
192.06305   82452.0

SCANNUMBER: 3521
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H10N3OCl
INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Forchlorfenuron
RETENTION_TIME: 6.068144
PRECURSOR_MZ: 248.0593
COLLISION_ENERGY: 
NUM PEAKS: 6
93.04498    1144138.0
94.06544    222850.0
111.05567   15214406.0
129.02182   20609304.0
137.03458   1954463.0
155.00107   2962225.0

SCANNUMBER: 1109
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H15NO4
INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N
INCHI: 
SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: 3-Hydroxycarbofuran
RETENTION_TIME: 2.534817
PRECURSOR_MZ: 238.1075
COLLISION_ENERGY: 
NUM PEAKS: 7
135.08051   61121.0
163.07562   1270756.0
181.08611   3459316.0
207.06541   67306.0
208.95668   38515.0
220.09669   446913.0
238.10802   398788.0

SCANNUMBER: 7519
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C22H17N3O7ClF3
INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N
INCHI: 
SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Indoxacarb
RETENTION_TIME: 7.23968
PRECURSOR_MZ: 528.0795
COLLISION_ENERGY: 
NUM PEAKS: 38
104.04956   303700.0
127.04175   99545.0
128.06201   117126.0
132.04463   290691.0

218.04218   536326.0
219.03232   457473.0
223.01553   87858.0

SCANNUMBER: 3798
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H28N2O3
INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
INCHI: 
SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Iprovalicarb
RETENTION_TIME: 6.291288
PRECURSOR_MZ: 321.218
COLLISION_ENERGY: 
NUM PEAKS: 9
116.07085   2061421.0
117.10262   213026.0
119.0857    8088768.0
144.06569   976637.0

186.11298   1809182.0
203.13902   3619220.0
321.21719   658523.0

SCANNUMBER: 2221
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H18N2O
INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
INCHI: 
SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Isoproturon
RETENTION_TIME: 4.953308
PRECURSOR_MZ: 207.1494
COLLISION_ENERGY: 
NUM PEAKS: 27
91.05442    804905.0
92.04957    254047.0
93.0575     33128.0
93.07003    116103.0

147.0919    129941.0
162.09142   42617.0
165.10242   74899.0

SCANNUMBER: 3991
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H10N2O2Cl2
INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
INCHI: 
SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Linuron
RETENTION_TIME: 6.428301
PRECURSOR_MZ: 249.0202
COLLISION_ENERGY: 
NUM PEAKS: 17
123.99524   160993.0
125.00295   934482.0
126.01085   53171.0
127.0187    34132.0

181.0168    457538.0
182.02429   570846.0
216.99352   182540.0

SCANNUMBER: 2948
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H11N2O2Br
INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
INCHI: 
SMILES: CON(C(=O)Nc1ccc(cc1)Br)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Metobromuron
RETENTION_TIME: 5.555997
PRECURSOR_MZ: 259.0081
COLLISION_ENERGY: 
NUM PEAKS: 15
90.03403    60649.0
91.04183    2389714.0
92.04957    214805.0
93.0575     47461.0

170.96819   2866842.0
183.97557   70285.0
226.98169   352678.0

SCANNUMBER: 2345
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H11N2O2Cl
INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
INCHI: 
SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Monolinuron
RETENTION_TIME: 5.086284
PRECURSOR_MZ: 215.0587
COLLISION_ENERGY: 
NUM PEAKS: 16
90.03403    245033.0
91.04183    266487.0
92.0498     149734.0
93.0575     65470.0

147.05553   873918.0
148.06332   1071865.0
183.03224   448058.0

SCANNUMBER: 6056
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H19NO4
INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
INCHI: 
SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fenoxycarb
RETENTION_TIME: 7.007411
PRECURSOR_MZ: 302.1392
COLLISION_ENERGY: 
NUM PEAKS: 4
88.03963    3398675.0
116.07085   7870537.0
256.09756   3714539.0
302.13986   4154405.0

SCANNUMBER: 1173
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H12N2O
INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
INCHI: 
SMILES: CN(C(=Nc1ccccc1)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fenuron
RETENTION_TIME: 2.603287
PRECURSOR_MZ: 165.1026
COLLISION_ENERGY: 
NUM PEAKS: 8
90.94795    13666.0
92.04957    465012.0
93.0575     10288.0
95.0478     10698.0

104.96333   7099.0
105.04477   391134.0
120.04464   89335.0

SCANNUMBER: 2001
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO2
INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1ccccc1C(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Isoprocarb
RETENTION_TIME: 4.552796
PRECURSOR_MZ: 194.1181
COLLISION_ENERGY: 
NUM PEAKS: 4
95.04929    1741248.0
137.09615   1255669.0
152.07103   658146.0
194.11743   393850.0

SCANNUMBER: 8910
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H18N3O4Cl
INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
INCHI: 
SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Pyraclostrobin
RETENTION_TIME: 7.421628
PRECURSOR_MZ: 388.107
COLLISION_ENERGY: 
NUM PEAKS: 11
162.0554    983545.0
163.06332   1950324.0
164.07108   4818863.0
194.08186   23217608.0

356.08151   2958382.0
357.08807   317478.0
388.10776   6476718.0

SCANNUMBER: 3358
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H20N2O
INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
INCHI: 
SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Siduron_1
RETENTION_TIME: 5.922128
PRECURSOR_MZ: 233.1652
COLLISION_ENERGY: 
NUM PEAKS: 8
92.0498     933541.0
93.0575     170423.0
94.06544    14211722.0
95.04929    2073643.0

105.04506   1075144.0
120.04464   1602718.0
137.07117   1760320.0

SCANNUMBER: 3451
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H20N2O
INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
INCHI: 
SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Siduron_2
RETENTION_TIME: 6.048454
PRECURSOR_MZ: 233.1654
COLLISION_ENERGY: 
NUM PEAKS: 8
92.04957    227079.0
93.0575     48287.0
94.06519    3308508.0
95.04929    491391.0

105.04477   331107.0
120.04464   414038.0
137.07117   494688.0

SCANNUMBER: 6489
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H16NOClS
INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
INCHI: 
SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Thiobencarb
RETENTION_TIME: 7.094566
PRECURSOR_MZ: 258.0717
COLLISION_ENERGY: 
NUM PEAKS: 3
89.03883    1114558.0
98.99973    585236.0
125.01533   28327212.0

SCANNUMBER: 5946
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H10N2O3ClF3
INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N
INCHI: 
SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Triflumuron
RETENTION_TIME: 6.978649
PRECURSOR_MZ: 359.0412
COLLISION_ENERGY: 
NUM PEAKS: 7
113.01541   658622.0
129.01042   138249.0
138.011     140957.0
138.99484   9851099.0
139.00452   474854.0
156.02116   3353307.0
178.04784   200379.0

SCANNUMBER: 3629
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H13NO2
INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
INCHI: 
SMILES: CC(OC(=Nc1ccccc1)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Propham
RETENTION_TIME: 6.134321
PRECURSOR_MZ: 180.1022
COLLISION_ENERGY: 
NUM PEAKS: 13
91.05442    8291.0
93.0575     2806.0
95.04929    8647.0
96.04461    67785.0

124.03935   187312.0
134.0237    14609.0
152.0343    3135.0

SCANNUMBER: 1562
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO3
INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1ccccc1OC(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Propoxur
RETENTION_TIME: 3.894733
PRECURSOR_MZ: 210.1129
COLLISION_ENERGY: 
NUM PEAKS: 6
93.03366    11976.0
111.04436   1112660.0
153.09126   254920.0
168.06589   785437.0
199.97662   26875.0
210.11256   38244.0

SCANNUMBER: 4942
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H16N2OCl2
INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N
INCHI: 
SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Neburon
RETENTION_TIME: 6.834164
PRECURSOR_MZ: 275.0721
COLLISION_ENERGY: 
NUM PEAKS: 12
88.11217    614563.0
114.09161   31817.0
123.99487   30163.0
125.00258   66386.0

172.9666    45053.0
173.50816   20256.0
187.96652   106090.0

SCANNUMBER: 1410
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H18N4O2
INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
INCHI: 
SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Pirimicarb
RETENTION_TIME: 2.886323
PRECURSOR_MZ: 239.1508
COLLISION_ENERGY: 
NUM PEAKS: 16
85.07622    1062158.0
94.05271    17085.0
109.07641   1234692.0
123.0557    18419.0

180.11363   53047.0
182.12914   1046026.0
195.16029   68565.0

SCANNUMBER: 3089
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H17NO2
INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Promecarb
RETENTION_TIME: 5.65392
PRECURSOR_MZ: 208.1339
COLLISION_ENERGY: 
NUM PEAKS: 3
109.0651    1911986.0
151.1118    3833728.0
208.13309   173991.0

SCANNUMBER: 2984
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H17N5S
INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
INCHI: 
SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Ametryn
RETENTION_TIME: 4.38309
PRECURSOR_MZ: 228.1282
COLLISION_ENERGY: 
NUM PEAKS: 15
85.05116    494786.0
91.03273    2410460.0
96.05421    57071.0
96.05572    4102907.0

184.06534   61690.0
186.08095   4152044.0
228.12772   94575.0

SCANNUMBER: 7002
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C22H17N3O5
INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N
INCHI: 
SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Azoxystrobin
RETENTION_TIME: 6.9269
PRECURSOR_MZ: 404.1249
COLLISION_ENERGY: 
NUM PEAKS: 46
120.04499   298934.0
129.04543   475852.0
130.0406    263606.0
133.05293   386291.0

329.08087   15964814.0
344.10461   2718360.0
372.10004   167044.0

SCANNUMBER: 7850
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H23NO3
INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N
INCHI: 
SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Benalaxyl
RETENTION_TIME: 7.079875
PRECURSOR_MZ: 326.1756
COLLISION_ENERGY: 
NUM PEAKS: 8
91.05441    11560916.0
105.0702    367839.0
106.06546   647312.0
120.081     385637.0

122.09673   517871.0
133.08878   546024.0
148.11217   23207426.0

SCANNUMBER: 6328
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H12N2OCl2
INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Boscalid
RETENTION_TIME: 6.811709
PRECURSOR_MZ: 343.0408
COLLISION_ENERGY: 
NUM PEAKS: 27
96.04461    588528.0
111.99506   131288.0
112.03961   562594.0
114.01087   183518.0

305.04871   107573.0
306.05643   72921.0
307.06335   2958245.0

SCANNUMBER: 2756
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H16N2O3
INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N
INCHI: 
SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Carbetamide
RETENTION_TIME: 3.923062
PRECURSOR_MZ: 237.1238
COLLISION_ENERGY: 
NUM PEAKS: 12
85.07622    86855.0
100.07591   86451.0
118.08654   1614784.0
120.04464   757563.0

237.07993   102575.0
237.09068   314588.0
237.12401   187935.0

SCANNUMBER: 6914
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H14N3O3Cl2F3
INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N
INCHI: 
SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Carfentrazone ethyl
RETENTION_TIME: 6.898515
PRECURSOR_MZ: 412.045
COLLISION_ENERGY: 
NUM PEAKS: 75
87.03558    102938.0
92.03108    108928.0
140.99028   93612.0
168.00159   290200.0

320.04153   58056.0
338.00775   410316.0
345.99677   2618042.0

SCANNUMBER: 5260
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H14N5O2BrCl2
INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Chlorantraniliprole
RETENTION_TIME: 6.589343
PRECURSOR_MZ: 481.9785
COLLISION_ENERGY: 
NUM PEAKS: 4
283.92297   5735542.0
450.93774   4907420.0
463.96796   71876.0
481.97949   1501231.0

SCANNUMBER: 9818
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H8N4Cl2
INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Clofentezine
RETENTION_TIME: 7.397017
PRECURSOR_MZ: 303.0207
COLLISION_ENERGY: 
NUM PEAKS: 5
92.0498     44376.0
102.03414   382179.0
120.04463   495630.0
130.04021   2783936.0
138.01057   2494447.0

SCANNUMBER: 5584
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H15N3
INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N
INCHI: 
SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Cyprodinil
RETENTION_TIME: 6.669806
PRECURSOR_MZ: 226.1346
COLLISION_ENERGY: 
NUM PEAKS: 68
89.03882    250501.0
91.05441    2917894.0
92.0498     1832571.0
92.06236    327913.0

211.11086   699261.0
224.1181    912227.0
226.13422   16374867.0

SCANNUMBER: 614
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C6H10N6
INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
INCHI: 
SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Cyromazine_1
RETENTION_TIME: 0.7250975
PRECURSOR_MZ: 167.1043
COLLISION_ENERGY: 
NUM PEAKS: 9
85.05116    569181.0
108.05576   364390.0
110.0462    49797.0
125.08251   178192.0

150.0777    7345.0
151.07292   35146.0
167.10403   54669.0

SCANNUMBER: 946
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C6H10N6
INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
INCHI: 
SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Cyromazine_2
RETENTION_TIME: 1.057777
PRECURSOR_MZ: 167.1043
COLLISION_ENERGY: 
NUM PEAKS: 12
85.05095    323769.0
100.08693   5287.0
108.05576   223896.0
110.0462    30873.0

151.07292   16833.0
155.01868   3272.0
167.10403   33800.0

SCANNUMBER: 7508
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H22N2O3
INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N
INCHI: 
SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Dimoxystrobin
RETENTION_TIME: 7.042906
PRECURSOR_MZ: 327.1716
COLLISION_ENERGY: 
NUM PEAKS: 25
89.03882    267042.0
91.05465    1177860.0
92.05786    587003.0
106.06546   63219.0

222.09152   46935.0
222.10396   66419.0
223.09956   719508.0

SCANNUMBER: 11226
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H22N2O
INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
INCHI: 
SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fenazaquin
RETENTION_TIME: 7.977267
PRECURSOR_MZ: 307.1813
COLLISION_ENERGY: 
NUM PEAKS: 14
91.05441    199112.0
103.05439   73599.0
104.04984   64148.0
105.0702    917430.0

146.10915   4833104.0
147.05551   4215618.0
161.13255   3701806.0

SCANNUMBER: 5614
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H17NO2Cl2
INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fenhexamid
RETENTION_TIME: 6.679342
PRECURSOR_MZ: 302.0717
COLLISION_ENERGY: 
NUM PEAKS: 6
95.01299    111399.0
97.10134    4001007.0
142.00574   470488.0
143.0134    1124724.0
177.98218   162637.0
302.0708    49250.0

SCANNUMBER: 10879
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C24H27N3O4
INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N
INCHI: 
SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fenpyroximate
RETENTION_TIME: 7.825895
PRECURSOR_MZ: 422.2081
COLLISION_ENERGY: 
NUM PEAKS: 90
91.04206    117996.0
91.05465    106024.0
92.0498     87696.0
93.05774    260654.0

230.09335   285190.0
231.10078   772223.0
366.14682   271014.0

SCANNUMBER: 1609
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H6N3OF3
INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N
INCHI: 
SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Flonicamid
RETENTION_TIME: 1.603478
PRECURSOR_MZ: 230.054
COLLISION_ENERGY: 
NUM PEAKS: 22
98.04052    1513015.0
101.01998   130358.0
126.03515   270418.0
128.0309    1130827.0

176.0318    1685318.0
183.0369    1014810.0
203.04269   761411.0

SCANNUMBER: 7721
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C21H16N4O5ClF
INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N
INCHI: 
SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fluoxastrobin
RETENTION_TIME: 7.061409
PRECURSOR_MZ: 459.0882
COLLISION_ENERGY: 
NUM PEAKS: 85
90.03426    262008.0
93.0339     81235.0
95.04953    126363.0
104.04984   132927.0

342.04449   118004.0
367.03973   216560.0
383.03424   104628.0

SCANNUMBER: 3979
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H16NO2F3
INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
INCHI: 
SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Flutolanil
RETENTION_TIME: 6.193638
PRECURSOR_MZ: 324.1214
COLLISION_ENERGY: 
NUM PEAKS: 12
111.04436   4020810.0
121.03985   3392917.0
130.02905   2402830.0
145.02599   877135.0

242.05533   161728.0
242.06139   15929322.0
262.06796   878870.0

SCANNUMBER: 3970
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H19NO4
INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N
INCHI: 
SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Furalaxyl
RETENTION_TIME: 6.193638
PRECURSOR_MZ: 302.1392
COLLISION_ENERGY: 
NUM PEAKS: 1
95.01299    22120298.0

SCANNUMBER: 2732
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H14N2OCl2
INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N
INCHI: 
SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Imazalil
RETENTION_TIME: 3.913752
PRECURSOR_MZ: 297.0566
COLLISION_ENERGY: 
NUM PEAKS: 17
102.04659   83349.0
109.0761    370634.0
122.99966   169161.0
129.07021   173674.0

186.97179   139839.0
200.98682   142186.0
255.00883   411510.0

SCANNUMBER: 2109
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H10N5O2Cl
INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N
INCHI: 
SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Imidacloprid
RETENTION_TIME: 3.079668
PRECURSOR_MZ: 256.0602
COLLISION_ENERGY: 
NUM PEAKS: 36
99.05553    45726.0
105.04505   49039.0
106.06546   54345.0
107.06065   64812.0

208.05171   91411.0
209.05724   1316587.0
209.05885   3531093.0

SCANNUMBER: 7168
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C23H22NO4Cl
INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N
INCHI: 
SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Mandipropamid
RETENTION_TIME: 6.964275
PRECURSOR_MZ: 412.1314
COLLISION_ENERGY: 
NUM PEAKS: 5
204.10207   530532.0
328.11053   16472820.0
356.10495   7175862.0
412.04471   215694.0
412.13226   2828841.0

SCANNUMBER: 7089
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H13N3
INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N
INCHI: 
SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Mepanipyrim
RETENTION_TIME: 6.936112
PRECURSOR_MZ: 224.1185
COLLISION_ENERGY: 
NUM PEAKS: 102
89.03882    517274.0
90.03403    2492239.0
91.04182    279822.0
91.05441    689902.0

222.10307   5281894.0
223.11121   2054946.0
224.119     13923746.0

SCANNUMBER: 1471
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C7H14N4O3
INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N
INCHI: 
SMILES: CN=C(NN(=O)=O)NCC1COCC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Dinotefuran
RETENTION_TIME: 1.502809
PRECURSOR_MZ: 203.1141
COLLISION_ENERGY: 
NUM PEAKS: 13
87.07939    212770.0
100.0872    147065.0
101.09495   14292.0
112.08705   103076.0

157.12112   345152.0
173.11627   46987.0
203.11415   399504.0

SCANNUMBER: 8648
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C24H16N4O2F6
INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
INCHI: 
SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Metaflumizone
RETENTION_TIME: 7.19479
PRECURSOR_MZ: 507.1251
COLLISION_ENERGY: 
NUM PEAKS: 33
89.03882    112603.0
92.0498     159120.0
93.0575     96261.0
110.06045   137716.0

287.07932   2154516.0
288.0871    575359.0
330.08609   207585.0

SCANNUMBER: 3592
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H21NO4
INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N
INCHI: 
SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Metalaxyl
RETENTION_TIME: 5.550616
PRECURSOR_MZ: 280.1547
COLLISION_ENERGY: 
NUM PEAKS: 24
91.05441    81742.0
105.06991   446715.0
117.0574    85397.0
118.06519   181419.0

164.10716   139534.0
192.13879   614235.0
220.13348   136200.0

SCANNUMBER: 4181
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H17N4Cl
INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N
INCHI: 
SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Myclobutanil
RETENTION_TIME: 6.259462
PRECURSOR_MZ: 289.1221
COLLISION_ENERGY: 
NUM PEAKS: 18
89.03882    46919.0
98.99973    29039.0
115.05431   84807.0
116.06212   93918.0

168.09337   31175.0
175.03131   41390.0
178.04208   93247.0

SCANNUMBER: 3029
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H18N2O4
INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
INCHI: 
SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Oxadixyl
RETENTION_TIME: 4.402048
PRECURSOR_MZ: 279.1344
COLLISION_ENERGY: 
NUM PEAKS: 7
102.05517   448694.0
132.08089   139055.0
133.08878   111093.0
160.07613   49235.0
192.10234   94587.0
219.11325   4470994.0
279.13367   216370.0

SCANNUMBER: 7968
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H16N3O2Cl3
INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N
INCHI: 
SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Prochloraz
RETENTION_TIME: 7.089308
PRECURSOR_MZ: 376.0388
COLLISION_ENERGY: 
NUM PEAKS: 3
265.95453   2776909.0
308.00125   53942956.0
376.03964   3704219.0

SCANNUMBER: 2214
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
INCHI: 
SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Prometon_1
RETENTION_TIME: 3.185351
PRECURSOR_MZ: 226.1667
COLLISION_ENERGY: 
NUM PEAKS: 16
85.05116    254026.0
85.07622    1248785.0
86.03511    7693232.0
96.05572    2045746.0

168.0881    278497.0
170.10394   12296676.0
184.11964   1858746.0

SCANNUMBER: 2376
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
INCHI: 
SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Prometon_2
RETENTION_TIME: 3.288845
PRECURSOR_MZ: 226.1663
COLLISION_ENERGY: 
NUM PEAKS: 22
85.05116    203704.0
85.07622    1795800.0
86.03511    4360152.0
96.05572    3992152.0

170.10394   12923365.0
184.11964   137608.0
226.16615   243943.0

SCANNUMBER: 1328
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H11N5O
INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N
INCHI: 
SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Pymetrozine
RETENTION_TIME: 1.373368
PRECURSOR_MZ: 218.1044
COLLISION_ENERGY: 
NUM PEAKS: 2
96.04461    383408.0
105.04506   15166273.0

SCANNUMBER: 3243
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H15NO2
INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Pyracarbolid
RETENTION_TIME: 4.72542
PRECURSOR_MZ: 218.1182
COLLISION_ENERGY: 
NUM PEAKS: 8
92.04956    222486.0
95.04928    559755.0
97.02871    2882447.0
97.06489    514552.0

107.04936   2653095.0
115.03907   949155.0
125.05998   14590636.0

SCANNUMBER: 3684
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H13N3
INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
INCHI: 
SMILES: Cc1cc(C)nc(n1)Nc1ccccc1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Pyrimethanil
RETENTION_TIME: 5.598423
PRECURSOR_MZ: 200.1186
COLLISION_ENERGY: 
NUM PEAKS: 43
91.05441    269141.0
92.0498     1006183.0
93.0575     798806.0
95.04928    864623.0

198.10313   499158.0
199.11044   154902.0
200.11862   13352280.0

SCANNUMBER: 10159
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H19NO3
INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N
INCHI: 
SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Pyriproxyfen
RETENTION_TIME: 7.483148
PRECURSOR_MZ: 322.1441
COLLISION_ENERGY: 
NUM PEAKS: 21
91.05465    1995486.0
95.04953    2794273.0
96.04461    57722984.0
105.04505   1487815.0

186.06801   602621.0
194.07315   653455.0
199.07576   804230.0

SCANNUMBER: 5448
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H19NO2
INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
INCHI: 
SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Mepronil
RETENTION_TIME: 6.63015
PRECURSOR_MZ: 270.1492
COLLISION_ENERGY: 
NUM PEAKS: 8
91.05465    4818532.0
107.04936   268915.0
108.0449    232011.0
109.0651    1528311.0

119.04979   16405699.0
119.0592    353581.0
136.03949   166339.0

SCANNUMBER: 3190
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H35NO2
INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
INCHI: 
SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Spiroxamine_2
RETENTION_TIME: 4.628222
PRECURSOR_MZ: 298.2747
COLLISION_ENERGY: 
NUM PEAKS: 4
100.11219   10585697.0
102.09142   415934.0
126.12786   286929.0
144.13857   10367585.0

SCANNUMBER: 8797
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H24N3OCl
INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
INCHI: 
SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Tebufenpyrad
RETENTION_TIME: 7.223254
PRECURSOR_MZ: 334.1692
COLLISION_ENERGY: 
NUM PEAKS: 17
90.01088    682936.0
91.05441    694638.0
105.0702    2926113.0
107.08593   482744.0

188.05853   456215.0
200.05861   396435.0
334.16821   933979.0

SCANNUMBER: 2214
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
INCHI: 
SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Terbumeton_1
RETENTION_TIME: 3.185351
PRECURSOR_MZ: 226.1667
COLLISION_ENERGY: 
NUM PEAKS: 16
85.05116    254026.0
85.07622    1248785.0
86.03511    7693232.0
96.05572    2045746.0

168.0881    278497.0
170.10394   12296676.0
184.11964   1858746.0

SCANNUMBER: 2376
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
INCHI: 
SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Terbumeton_2
RETENTION_TIME: 3.288845
PRECURSOR_MZ: 226.1663
COLLISION_ENERGY: 
NUM PEAKS: 22
85.05116    203704.0
85.07622    1795800.0
86.03511    4360152.0
96.05572    3992152.0

170.10394   12923365.0
184.11964   137608.0
226.16615   243943.0

SCANNUMBER: 4753
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H16N3O2Cl
INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N
INCHI: 
SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Triadimefon
RETENTION_TIME: 6.495691
PRECURSOR_MZ: 294.101
COLLISION_ENERGY: 
NUM PEAKS: 34
91.05441    220380.0
93.03366    110759.0
94.04145    226678.0
95.04928    293143.0

175.07544   124355.0
190.09877   46793.0
197.073     124633.0

SCANNUMBER: 8085
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H19N2O4F3
INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
INCHI: 
SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Trifloxystrobin
RETENTION_TIME: 7.117416
PRECURSOR_MZ: 409.1378
COLLISION_ENERGY: 
NUM PEAKS: 20
89.03905    311273.0
91.05465    552137.0
105.07049   281496.0
116.05004   3644672.0

173.03255   3885334.0
186.05302   16153518.0
206.08214   362046.0

SCANNUMBER: 7511
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H16Cl3NO2
INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N
INCHI: 
SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Zoxamide
RETENTION_TIME: 7.042906
PRECURSOR_MZ: 336.0327
COLLISION_ENERGY: 
NUM PEAKS: 7
122.99966   189624.0
158.97681   2350836.0
160.99211   84080.0
176.98717   132424.0
186.97179   7551578.0
186.98138   1310863.0
203.99802   105210.0

SCANNUMBER: 10658
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H8NOCl2F
INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
INCHI: 
SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Quinoxyfen
RETENTION_TIME: 7.693292
PRECURSOR_MZ: 308.0046
COLLISION_ENERGY: 
NUM PEAKS: 28
113.04024   951160.0
123.00003   519051.0
123.03591   2234640.0
133.05254   505534.0

280.00934   1380984.0
287.99789   1053238.0
308.00415   16622164.0

SCANNUMBER: 10564
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C23H22O6
INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N
INCHI: 
SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Rotenone
RETENTION_TIME: 7.674882
PRECURSOR_MZ: 395.1498
COLLISION_ENERGY: 
NUM PEAKS: 118
91.05441    20240.0
94.04169    8976.0
95.04953    15733.0
96.05724    5644.0

347.091     7782.0
349.10764   9303.0
377.13797   5836.0

SCANNUMBER: 2214
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
INCHI: 
SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Secbumeton_1
RETENTION_TIME: 3.185351
PRECURSOR_MZ: 226.1667
COLLISION_ENERGY: 
NUM PEAKS: 16
85.05116    254026.0
85.07622    1248785.0
86.03511    7693232.0
96.05572    2045746.0

168.0881    278497.0
170.10394   12296676.0
184.11964   1858746.0

SCANNUMBER: 2376
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
INCHI: 
SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Secbumeton_2
RETENTION_TIME: 3.288845
PRECURSOR_MZ: 226.1663
COLLISION_ENERGY: 
NUM PEAKS: 22
85.05116    203704.0
85.07622    1795800.0
86.03511    4360152.0
96.05572    3992152.0

170.10394   12923365.0
184.11964   137608.0
226.16615   243943.0

SCANNUMBER: 3100
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H35NO2
INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
INCHI: 
SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Spiroxamine_1
RETENTION_TIME: 4.508498
PRECURSOR_MZ: 298.2746
COLLISION_ENERGY: 
NUM PEAKS: 4
100.11219   3396827.0
102.09142   137060.0
126.12786   85740.0
144.13857   3215019.0

SCANNUMBER: 6504
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H6N2OS2
INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
INCHI: 
SMILES: CSC(=O)c1cccc2c1snn2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Acibenzolar-S-methyl
RETENTION_TIME: 7.209623
PRECURSOR_MZ: 210.9997
COLLISION_ENERGY: 
NUM PEAKS: 19
90.96726    85952.0
91.05441    657143.0
95.04928    118440.0
96.00319    401311.0

152.98305   216362.0
167.97003   464522.0
210.99977   327401.0

SCANNUMBER: 3267
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H24N4O3S
INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
INCHI: 
SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Bupirimate
RETENTION_TIME: 6.076324
PRECURSOR_MZ: 317.1649
COLLISION_ENERGY: 
NUM PEAKS: 55
86.07153    235598.0
93.07003    108137.0
95.06072    255743.0
95.08585    244503.0

237.20732   1204267.0
262.08615   349666.0
272.10626   143082.0

SCANNUMBER: 5627
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H23N3OS
INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
INCHI: 
SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Buprofezin
RETENTION_TIME: 7.028851
PRECURSOR_MZ: 306.1638
COLLISION_ENERGY: 
NUM PEAKS: 7
86.06017    3955916.0
95.04928    722739.0
102.03746   765607.0
102.99629   1020337.0
106.06516   49438552.0
145.04333   786651.0
208.05412   1036458.0

SCANNUMBER: 2650
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H13NO2S
INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Carboxin
RETENTION_TIME: 5.514598
PRECURSOR_MZ: 236.0745
COLLISION_ENERGY: 
NUM PEAKS: 21
86.99005    83162.0
89.00569    35962.0
92.0498     113299.0
93.0575     2928372.0

162.03714   126130.0
165.02444   140508.0
166.03207   97516.0

SCANNUMBER: 4128
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H26NO3ClS
INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
INCHI: 
SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Clethodim_1
RETENTION_TIME: 6.687163
PRECURSOR_MZ: 360.1401
COLLISION_ENERGY: 
NUM PEAKS: 93
89.0422     26517.0
91.05441    49957.0
92.04956    6055.0
93.0575     11783.0

206.11787   6696.0
212.11047   16431.0
240.10542   8682.0

SCANNUMBER: 7016
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H26NO3ClS
INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
INCHI: 
SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Clethodim_2
RETENTION_TIME: 7.277172
PRECURSOR_MZ: 360.1401
COLLISION_ENERGY: 
NUM PEAKS: 68
89.0422     98238.0
91.05464    171745.0
93.05774    38046.0
93.07027    136004.0

208.13387   37258.0
212.11047   103531.0
240.10542   87328.0

SCANNUMBER: 1358
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C6H8N5O2ClS
INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Clothianidin
RETENTION_TIME: 2.767634
PRECURSOR_MZ: 250.0162
COLLISION_ENERGY: 
NUM PEAKS: 12
113.01702   68898.0
131.96729   1556136.0
146.97801   24619.0
168.04659   701063.0

206.01546   199604.0
220.01871   34828.0
250.01668   782407.0

SCANNUMBER: 4651
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H13N4O2ClS
INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
INCHI: 
SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Cyazofamid
RETENTION_TIME: 6.824718
PRECURSOR_MZ: 325.0526
COLLISION_ENERGY: 
NUM PEAKS: 14
108.01175   7160721.0
216.03249   215458.0
217.0407    634975.0
218.0482    106134.0

325.052     1817226.0
325.14325   121241.0
325.23611   85648.0

SCANNUMBER: 2873
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H9N4OCl2F3S
INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
INCHI: 
SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Ethiprole
RETENTION_TIME: 5.828761
PRECURSOR_MZ: 396.991
COLLISION_ENERGY: 
NUM PEAKS: 11
212.94865   522963.0
227.9595    466048.0
240.95441   720208.0
254.9706    13822754.0

315.97946   548987.0
323.93817   233169.0
350.94952   1933706.0

SCANNUMBER: 3176
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H18O5S
INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N
INCHI: 
SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Ethofumesate
RETENTION_TIME: 6.01901
PRECURSOR_MZ: 287.0957
COLLISION_ENERGY: 
NUM PEAKS: 10
121.06523   2086509.0
149.09618   158152.0
161.0601    278315.0
162.0676    51729.0

259.06424   3450423.0
277.07498   105295.0
287.09497   1000737.0

SCANNUMBER: 4022
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H17N3OS
INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
INCHI: 
SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fenamidone
RETENTION_TIME: 6.626915
PRECURSOR_MZ: 312.1172
COLLISION_ENERGY: 
NUM PEAKS: 23
92.0498     32114948.0
103.05439   9639649.0
104.04984   654872.0
118.05279   339058.0

221.0947    1138537.0
236.11884   5452674.0
237.04855   688489.0

SCANNUMBER: 3428
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H4N4OCl2F6S
INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
INCHI: 
SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fipronil
RETENTION_TIME: 6.367518
PRECURSOR_MZ: 436.9474
COLLISION_ENERGY: 
NUM PEAKS: 44
85.96982    4313.0
113.00444   3712.0
113.98832   5133.0
139.99144   7362.0

341.94772   7327.0
350.94775   6206.0
367.95102   6446.0

SCANNUMBER: 3663
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H13N3O2F4S
INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
INCHI: 
SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Flufenacet
RETENTION_TIME: 6.476889
PRECURSOR_MZ: 364.0744
COLLISION_ENERGY: 
NUM PEAKS: 5
124.05603   201655.0
152.0509    5487354.0
152.08713   528888.0
194.09782   19271964.0
364.07422   2107439.0

SCANNUMBER: 7986
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H21N2O2ClS
INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N
INCHI: 
SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Hexythiazox
RETENTION_TIME: 7.46046
PRECURSOR_MZ: 353.1096
COLLISION_ENERGY: 
NUM PEAKS: 18
115.0543    1419536.0
116.06212   1728574.0
117.05739   141175.0
125.01533   77703.0

194.03688   1165217.0
210.01369   101590.0
228.02509   203533.0

SCANNUMBER: 6090
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H14N2O2S
INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
INCHI: 
SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Mefenacet
RETENTION_TIME: 7.143147
PRECURSOR_MZ: 299.0857
COLLISION_ENERGY: 
NUM PEAKS: 10
91.05441    4904942.0
93.07003    396728.0
95.04928    309109.0
103.05439   240325.0

136.02161   2145909.0
148.0759    2833957.0
152.01669   272045.0

SCANNUMBER: 1880
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H13NO7S
INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N
INCHI: 
SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Mesotrione
RETENTION_TIME: 4.438974
PRECURSOR_MZ: 340.0492
COLLISION_ENERGY: 
NUM PEAKS: 21
92.0498     20384.0
94.02896    22521.0
95.01298    42541.0
104.01339   1414098.0

275.03772   37760.0
293.04776   19676.0
294.05606   18376.0

SCANNUMBER: 2365
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H21N5OS
INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
INCHI: 
SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Methoprotryne
RETENTION_TIME: 4.953537
PRECURSOR_MZ: 272.1545
COLLISION_ENERGY: 
NUM PEAKS: 15
91.03273    1224280.0
103.03277   469421.0
108.05575   1098439.0
116.0279    2387399.0

212.09639   2176296.0
230.10741   452827.0
240.1284    1276547.0

SCANNUMBER: 1932
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H14N4OS
INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N
INCHI: 
SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Metribuzin
RETENTION_TIME: 4.458099
PRECURSOR_MZ: 215.0965
COLLISION_ENERGY: 
NUM PEAKS: 62
85.08886    22454.0
87.00137    169483.0
88.00926    84542.0
89.01718    426359.0

186.08231   47791.0
187.10153   1851092.0
215.09644   112225.0

SCANNUMBER: 2407
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5S
INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
INCHI: 
SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Prometryne
RETENTION_TIME: 4.990861
PRECURSOR_MZ: 242.1439
COLLISION_ENERGY: 
NUM PEAKS: 15
85.05116    4457818.0
91.03273    8009682.0
96.05572    6069758.0
102.03746   367626.0

173.50693   425480.0
186.08095   16656961.0
200.09659   2036050.0

SCANNUMBER: 8415
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H25N2OClS
INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
INCHI: 
SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Pyridaben
RETENTION_TIME: 7.556859
PRECURSOR_MZ: 365.1459
COLLISION_ENERGY: 
NUM PEAKS: 3
147.11726   1746679.0
309.0834    39061400.0
365.14478   6893662.0

SCANNUMBER: 1608
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H15N5S
INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
INCHI: 
SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Simetryn
RETENTION_TIME: 3.75983
PRECURSOR_MZ: 214.1124
COLLISION_ENERGY: 
NUM PEAKS: 12
91.03273    299056.0
96.05597    10435853.0
102.03746   159989.0
113.0825    349517.0

166.10905   576911.0
186.08095   411980.0
214.11266   506708.0

SCANNUMBER: 2110
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H10N4O3Cl2F2S
INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Sulfentrazone
RETENTION_TIME: 4.825635
PRECURSOR_MZ: 386.99
COLLISION_ENERGY: 
NUM PEAKS: 48
92.03084    36986.0
109.9793    24541.0
111.99506   13105.0
127.99009   18850.0

306.99692   72556.0
308.00412   68794.0
336.99271   19232.0

SCANNUMBER: 2407
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5S
INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
INCHI: 
SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Terbutryn
RETENTION_TIME: 4.990861
PRECURSOR_MZ: 242.1439
COLLISION_ENERGY: 
NUM PEAKS: 15
85.05116    4457818.0
91.03273    8009682.0
96.05572    6069758.0
102.03746   367626.0

173.50693   425480.0
186.08095   16656961.0
200.09659   2036050.0

SCANNUMBER: 1232
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H7N3S
INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
INCHI: 
SMILES: c1scc(n1)c1nc2c([nH]1)cccc2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Thiabendazole
RETENTION_TIME: 2.44406
PRECURSOR_MZ: 202.0437
COLLISION_ENERGY: 
NUM PEAKS: 7
92.0498     482307.0
131.06062   3699935.0
143.06068   408061.0
158.07153   301732.0
170.07179   139529.0
175.03255   9873992.0
202.04396   3731232.0

SCANNUMBER: 1685
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H9N4ClS
INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N
INCHI: 
SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Thiacloprid
RETENTION_TIME: 4.159843
PRECURSOR_MZ: 253.0315
COLLISION_ENERGY: 
NUM PEAKS: 6
90.03403    1177314.0
91.04182    256154.0
98.99973    1052050.0
108.0446    146293.0
126.01085   11655971.0
144.02113   633179.0

SCANNUMBER: 1108
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H10N5O3ClS
INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N
INCHI: 
SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Thiamethoxam
RETENTION_TIME: 2.35524
PRECURSOR_MZ: 292.0273
COLLISION_ENERGY: 
NUM PEAKS: 10
131.96729   856494.0
174.9729    61417.0
180.04681   65222.0
181.0547    129376.0

246.0343    359117.0
248.02554   112237.0
292.02722   584625.0

SCANNUMBER: 2638
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H7N3S
INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
INCHI: 
SMILES: Cc1cccc2c1n1cnnc1s2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Tricyclazole
RETENTION_TIME: 5.514598
PRECURSOR_MZ: 190.0439
COLLISION_ENERGY: 
NUM PEAKS: 10
92.0498     1103195.0
109.01101   3220386.0
119.06059   619856.0
127.02138   192273.0

137.01691   212259.0
163.03258   14491751.0
190.04391   4390148.0

SCANNUMBER: 2801
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H12N2OCl2
INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N
INCHI: 
SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fenarimol
RETENTION_TIME: 6.876775
PRECURSOR_MZ: 331.0412
COLLISION_ENERGY: 
NUM PEAKS: 60
129.01041   62692.0
138.99483   4713270.0
139.00581   348352.0
140.02657   87193.0

277.0527    143152.0
278.06161   515869.0
279.06857   114232.0

SCANNUMBER: 3202
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H17N4Cl
INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N
INCHI: 
SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fenbuconazole
RETENTION_TIME: 7.045859
PRECURSOR_MZ: 337.1223
COLLISION_ENERGY: 
NUM PEAKS: 9
89.03882    491858.0
91.05441    1708709.0
103.05439   763259.0
125.01532   31583906.0

139.0309    716816.0
155.06064   335216.0
163.0309    736285.0

SCANNUMBER: 3422
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H8N5OCl2F
INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fluquinconazole
RETENTION_TIME: 7.093534
PRECURSOR_MZ: 376.0173
COLLISION_ENERGY: 
NUM PEAKS: 22
108.02471   848273.0
123.99523   983397.0
126.03514   85852.0
158.97679   294325.0

339.01056   449848.0
349.00613   731296.0
349.98984   271485.0

SCANNUMBER: 1408
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H13N3OF2
INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N
INCHI: 
SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Flutriafol
RETENTION_TIME: 5.240544
PRECURSOR_MZ: 302.1111
COLLISION_ENERGY: 
NUM PEAKS: 11
109.04492   5549990.0
113.03991   603136.0
123.02199   197823.0
123.02419   14667272.0

195.06081   577107.0
214.05884   311976.0
215.0668    353163.0

SCANNUMBER: 1202
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H8N2O
INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
INCHI: 
SMILES: c1coc(c1)c1nc2c([nH]1)cccc2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fuberidazole
RETENTION_TIME: 2.456748
PRECURSOR_MZ: 185.0715
COLLISION_ENERGY: 
NUM PEAKS: 15
92.0498     2714348.0
103.05439   924742.0
118.05279   1356359.0
119.06059   1561269.0

156.06877   35950644.0
157.07619   39653584.0
185.0714    6790632.0

SCANNUMBER: 1619
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H18N3OCl
INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
INCHI: 
SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Cyproconazole_1
RETENTION_TIME: 6.138374
PRECURSOR_MZ: 292.122
COLLISION_ENERGY: 
NUM PEAKS: 4
89.03882    111896.0
125.01532   6537308.0
138.99483   329090.0
139.00581   166501.0

SCANNUMBER: 1786
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H18N3OCl
INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
INCHI: 
SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Cyproconazole_2
RETENTION_TIME: 6.36811
PRECURSOR_MZ: 292.1225
COLLISION_ENERGY: 
NUM PEAKS: 4
89.03882    144933.0
125.01532   8553550.0
138.99483   403028.0
139.00581   198856.0

SCANNUMBER: 2657
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H19N3OCl2
INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Diclobutrazol
RETENTION_TIME: 6.830443
PRECURSOR_MZ: 328.0983
COLLISION_ENERGY: 
NUM PEAKS: 11
122.99965   485826.0
125.01532   529574.0
137.01562   496542.0
158.97626   45675696.0

186.97108   498843.0
190.96622   746907.0
199.00793   579087.0

SCANNUMBER: 4342
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H17N3O3Cl2
INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
INCHI: 
SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Difenoconazole
RETENTION_TIME: 7.351549
PRECURSOR_MZ: 406.0727
COLLISION_ENERGY: 
NUM PEAKS: 13
129.07021   341601.0
139.00626   338485.0
141.01048   334473.0
152.06247   924840.0

223.00838   2665156.0
251.0031    32513990.0
264.98291   3756956.0

SCANNUMBER: 3119
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H17N3OCl2
INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N
INCHI: 
SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Diniconazole
RETENTION_TIME: 6.999194
PRECURSOR_MZ: 326.0832
COLLISION_ENERGY: 
NUM PEAKS: 52
87.0807     115189.0
110.0716    52760.0
123.00002   65949.0
136.00755   116731.0

264.0097    43206.0
270.01987   48934.0
278.02554   102202.0

SCANNUMBER: 3124
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H13N3OClF
INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N
INCHI: 
SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Epoxiconazole
RETENTION_TIME: 6.999194
PRECURSOR_MZ: 330.0806
COLLISION_ENERGY: 
NUM PEAKS: 12
91.05464    783917.0
101.03878   454726.0
113.01572   623551.0
113.04023   604178.0

129.04501   7068444.0
138.99483   468356.0
141.01048   1219612.0

SCANNUMBER: 2581
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H15N3O2Cl2
INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N
INCHI: 
SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Etaconazole
RETENTION_TIME: 6.802904
PRECURSOR_MZ: 328.0626
COLLISION_ENERGY: 
NUM PEAKS: 10
122.99965   480348.0
125.01532   599928.0
137.01562   455760.0
158.97626   39434140.0

174.97166   597883.0
190.96622   527039.0
199.00793   567443.0

SCANNUMBER: 1043
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H19N3O
INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N
INCHI: 
SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Ethirimol
RETENTION_TIME: 2.246086
PRECURSOR_MZ: 210.1608
COLLISION_ENERGY: 
NUM PEAKS: 32
93.07027    325229.0
95.06072    869968.0
95.08585    891568.0
96.0446     781962.0

182.12912   2661313.0
193.13402   1554662.0
210.15997   2414378.0

SCANNUMBER: 2543
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H17N3OCl2
INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N
INCHI: 
SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Hexaconazole
RETENTION_TIME: 6.793731
PRECURSOR_MZ: 314.0833
COLLISION_ENERGY: 
NUM PEAKS: 16
115.05463   149487.0
123.00002   104704.0
125.0157    1580755.0
129.01041   156034.0

174.97166   740773.0
184.99236   690533.0
188.98734   151249.0

SCANNUMBER: 3476
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H24N3OCl
INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
INCHI: 
SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Ipconazole
RETENTION_TIME: 7.112235
PRECURSOR_MZ: 334.1694
COLLISION_ENERGY: 
NUM PEAKS: 18
89.03882    79221.0
95.08585    152078.0
109.10148   351087.0
115.05463   110112.0

165.04663   173374.0
177.04655   269267.0
191.06258   291856.0

SCANNUMBER: 3161
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H22N3OCl
INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
INCHI: 
SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Metconazole
RETENTION_TIME: 7.017605
PRECURSOR_MZ: 320.1538
COLLISION_ENERGY: 
NUM PEAKS: 13
95.08585    468079.0
107.08563   155599.0
125.01532   7873925.0
128.06239   109318.0

165.04663   82686.0
177.04655   645875.0
191.06258   194319.0

SCANNUMBER: 1883
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H12N2OClF
INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N
INCHI: 
SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Nuarimol
RETENTION_TIME: 6.452959
PRECURSOR_MZ: 315.0705
COLLISION_ENERGY: 
NUM PEAKS: 59
113.03991   15277.0
123.02419   689099.0
123.03554   68936.0
128.04956   14564.0

263.09796   32958.0
269.04013   16405.0
270.04846   16960.0

SCANNUMBER: 1764
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H20N3OCl
INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N
INCHI: 
SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Paclobutrazol
RETENTION_TIME: 6.358851
PRECURSOR_MZ: 294.1362
COLLISION_ENERGY: 
NUM PEAKS: 22
87.0807     394679.0
89.03882    144548.0
91.05441    100589.0
95.04928    72012.0

151.03107   202825.0
165.04663   986782.0
173.50876   86407.0

SCANNUMBER: 2459
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H15N3Cl2
INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N
INCHI: 
SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Penconazole
RETENTION_TIME: 6.747501
PRECURSOR_MZ: 284.0724
COLLISION_ENERGY: 
NUM PEAKS: 5
102.04659   746383.0
122.99965   1405085.0
137.01562   2859486.0
158.97626   62049868.0
172.99223   3885430.0

SCANNUMBER: 3131
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H17N3O2Cl2
INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
INCHI: 
SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Propiconazole
RETENTION_TIME: 6.999194
PRECURSOR_MZ: 342.0777
COLLISION_ENERGY: 
NUM PEAKS: 5
122.99965   303053.0
158.97626   24240670.0
172.9556    1323126.0
186.97108   391981.0
190.96622   431621.0

SCANNUMBER: 2993
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H22N3OCl
INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N
INCHI: 
SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Tebuconazole
RETENTION_TIME: 6.933391
PRECURSOR_MZ: 308.1532
COLLISION_ENERGY: 
NUM PEAKS: 15
89.03882    78455.0
103.05439   150981.0
115.0543    806550.0
116.06211   1104744.0

151.03107   2225088.0
165.04663   474739.0
179.0621    93619.0

SCANNUMBER: 1845
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H11N3OCl2F4
INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N
INCHI: 
SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Tetraconazole
RETENTION_TIME: 6.434036
PRECURSOR_MZ: 372.0302
COLLISION_ENERGY: 
NUM PEAKS: 6
115.05463   210733.0
149.01559   493803.0
150.02344   1143618.0
158.97679   15780315.0
176.96693   301907.0
184.99236   249943.0

SCANNUMBER: 2640
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H15N3OClF3
INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
INCHI: 
SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Triflumizole
RETENTION_TIME: 6.821252
PRECURSOR_MZ: 346.094
COLLISION_ENERGY: 
NUM PEAKS: 2
278.05542   29552484.0
346.09351   955540.0

SCANNUMBER: 2549
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H20N3OCl
INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N
INCHI: 
SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Triticonazole
RETENTION_TIME: 6.793731
PRECURSOR_MZ: 318.1369
COLLISION_ENERGY: 
NUM PEAKS: 59
89.03882    57349.0
91.05464    43853.0
95.04953    68354.0
95.08585    78735.0

190.04179   48399.0
191.06258   581232.0
196.12456   74697.0

SCANNUMBER: 3229
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C43H69NO10
INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N
INCHI: 
SMILES: CCOC1C(OC)C(OC2CC3C(C2)C(=CC2C3C=C3C2CC(=O)OC(CC)CCCC(C(C3=O)C)OC2CCC(C(O2)C)N(C)C)C)OC(C1OC)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Spinetoram L
RETENTION_TIME: 6.970665
PRECURSOR_MZ: 760.5021
COLLISION_ENERGY: 
NUM PEAKS: 21
85.06505    76410.0
87.04429    159491.0
95.04928    101292.0
97.06514    990457.0

183.11732   117521.0
211.11166   121662.0
213.09132   89441.0

SCANNUMBER: 3373
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C49H75NO13
INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N
INCHI: 
SMILES: CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Emamectin benzoate
RETENTION_TIME: 6.999389
PRECURSOR_MZ: 886.5328
COLLISION_ENERGY: 
NUM PEAKS: 11
95.04928    292923.0
98.06031    268499.0
108.08107   688810.0
109.10148   229513.0

140.10709   213152.0
158.11794   18414448.0
173.50876   230972.0

SCANNUMBER: 1283
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H33NO
INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
INCHI: 
SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fenpropimorph
RETENTION_TIME: 4.613603
PRECURSOR_MZ: 304.2642
COLLISION_ENERGY: 
NUM PEAKS: 14
91.05441    1025363.0
98.09655    5764430.0
102.09142   427096.0
105.0699    3838997.0

147.11678   29169826.0
161.13254   881881.0
304.26379   2555976.0

SCANNUMBER: 4501
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C21H24O4Cl2
INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N
INCHI: 
SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Spirodiclofen
RETENTION_TIME: 7.279784
PRECURSOR_MZ: 411.1127
COLLISION_ENERGY: 
NUM PEAKS: 3
313.03357   548684.0
313.03952   12618725.0
411.11246   2380661.0

SCANNUMBER: 2899
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C41H65NO10
INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N
INCHI: 
SMILES: CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=CC1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Spinosad
RETENTION_TIME: 6.884336
PRECURSOR_MZ: 732.4695
COLLISION_ENERGY: 
NUM PEAKS: 24
85.06505    290872.0
95.08585    281431.0
97.06514    4107321.0
98.09655    11811636.0

199.07574   416158.0
201.0916    354498.0
225.09103   339682.0

SCANNUMBER: 1978
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C21H27NO5
INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
INCHI: 
SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Spirotetramat
RETENTION_TIME: 6.637813
PRECURSOR_MZ: 374.1972
COLLISION_ENERGY: 
NUM PEAKS: 25
117.07031   3145654.0
119.08569   1788706.0
131.08598   559926.0
143.08594   1443391.0

253.12317   483222.0
270.14972   5260680.0
302.17508   467268.0

SCANNUMBER: 2785
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C42H69NO10
INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N
INCHI: 
SMILES: CCOC1C(OC)C(OC2CC3C(C2)C2C=C4C(C2CC3)CC(=O)OC(CC)CCCC(C(C4=O)C)OC2CCC(C(O2)C)N(C)C)OC(C1OC)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Spinetoram J
RETENTION_TIME: 6.875065
PRECURSOR_MZ: 748.4996
COLLISION_ENERGY: 
NUM PEAKS: 19
87.04429    367892.0
95.04928    288081.0
97.06488    2777411.0
98.09655    8992013.0

199.11194   246050.0
203.10715   581698.0
217.12222   236328.0

SCANNUMBER: 1646
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C25H24N4F6
INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N
INCHI: 
SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Hydramethylnon
RETENTION_TIME: 6.67979
PRECURSOR_MZ: 495.1986
COLLISION_ENERGY: 
NUM PEAKS: 48
86.09703    592073.0
97.07668    1102254.0
102.04713   162761.0
109.07671   152336.0

366.07346   193709.0
368.08932   5815862.0
495.20059   2433116.0

SCANNUMBER: 742
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H16N2O2
INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Aminocarb_1
RETENTION_TIME: 0.8035756
PRECURSOR_MZ: 209.129
COLLISION_ENERGY: 
NUM PEAKS: 5
120.05733   176701.0
122.06016   1917070.0
136.07611   928093.0
137.08363   8823033.0
152.10725   186336.0

SCANNUMBER: 1198
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H16N2O2
INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Aminocarb_2
RETENTION_TIME: 1.13997
PRECURSOR_MZ: 209.129
COLLISION_ENERGY: 
NUM PEAKS: 5
120.05733   247123.0
122.06016   2666029.0
136.07611   1253139.0
137.08363   12201258.0
152.10725   242082.0

SCANNUMBER: 687
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H20N2O2
INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
INCHI: 
SMILES: CCCOC(=NCCCN(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Propamocarb_1
RETENTION_TIME: 0.7535679
PRECURSOR_MZ: 189.1603
COLLISION_ENERGY: 
NUM PEAKS: 2
86.0966     201548.0
102.05516   5038638.0

SCANNUMBER: 1108
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H20N2O2
INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
INCHI: 
SMILES: CCCOC(=NCCCN(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Propamocarb_2
RETENTION_TIME: 1.081971
PRECURSOR_MZ: 189.1603
COLLISION_ENERGY: 
NUM PEAKS: 2
86.0966     107829.0
102.05516   2507023.0

SCANNUMBER: 711
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15N3O2
INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Formetanate_1
RETENTION_TIME: 0.7730471
PRECURSOR_MZ: 222.1239
COLLISION_ENERGY: 
NUM PEAKS: 13
93.03365    1796.0
107.04935   1981.0
111.04435   82262.0
118.04142   1927.0

173.50876   2616.0
200.05632   2056.0
208.52768   2170.0

SCANNUMBER: 1161
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15N3O2
INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Formetanate_2
RETENTION_TIME: 1.13043
PRECURSOR_MZ: 222.1239
COLLISION_ENERGY: 
NUM PEAKS: 15
91.05441    6330.0
93.03365    27201.0
107.04935   4024.0
111.04435   131558.0

145.06488   3067.0
164.95049   3848.0
165.1024    263802.0

SCANNUMBER: 1328
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H18N2O2
INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Mexacarbate
RETENTION_TIME: 1.682191
PRECURSOR_MZ: 223.1443
COLLISION_ENERGY: 
NUM PEAKS: 5
134.07283   2632951.0
136.07611   26036728.0
150.092     1572118.0
151.09932   54847764.0
166.12282   1541928.0

SCANNUMBER: 3999
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H21N2OCl
INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Monceren
RETENTION_TIME: 7.14553
PRECURSOR_MZ: 329.1426
COLLISION_ENERGY: 
NUM PEAKS: 5
89.03881    550831.0
94.06543    635265.0
106.06545   446416.0
125.01307   512150.0
125.01532   37442116.0

SCANNUMBER: 2271
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H16N2O4
INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
INCHI: 
SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Desmedipham
RETENTION_TIME: 6.430396
PRECURSOR_MZ: 301.1192
COLLISION_ENERGY: 
NUM PEAKS: 3
136.03947   1773399.0
154.04993   1002798.0
182.08162   6480130.0

SCANNUMBER: 2458
PRECURSORTYPE: [M+H]+
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H16N2O4
INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N
INCHI: 
SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
INSTRUMENTTYPE: LC-ESI-Orbitrap
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Phenmedipham
RETENTION_TIME: 6.570995
PRECURSOR_MZ: 301.1185
COLLISION_ENERGY: 
NUM PEAKS: 2
136.03947   2596929.0
168.06587   7038054.0

3:9dfcee100f48

SCANNUMBER: 1161
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C4H10NO3PS
INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N
INCHI: 
SMILES: COP(=O)(N=C(O)C)SC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

142.99275   16419.0
147.94205   1750.0
173.5094    2353.0

SCANNUMBER: 2257
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H11NO2
INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cccc2c1cccc2)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1516
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H16NO5P
INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N
INCHI: 
SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1865
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C5H12NO3PS2
INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(CSP(=S)(OC)OC)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

197.98123   240915.0
198.96501   5415933.0
230.00722   497851.0

SCANNUMBER: 3852
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C21H22NO4Cl
INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
INCHI: 
SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

273.06772   3866006.0
286.03912   483547.0
301.06311   4060551.0

SCANNUMBER: 1009
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C2H8NO2PS
INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N
INCHI: 
SMILES: COP(=O)(SC)N
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Methamidophos
RETENTION_TIME: 1.153307
PRECURSOR_MZ: 142.0089
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
98.00042    37721.0
109.98272   71172.0
112.01607   2867923.0
127.99321   75837.0

SCANNUMBER: 1924
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C7H13O6P
INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N
INCHI: 
SMILES: COC(=O)C=C(OP(=O)(OC)OC)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Mevinphos
RETENTION_TIME: 2.876307
PRECURSOR_MZ: 225.0525
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
99.04416    295529.0
127.01563   1960973.0
193.02605   1150190.0
225.05209   101872.0

SCANNUMBER: 1246
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C5H12NO4PS
INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(CSP(=O)(OC)OC)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Omethoate
RETENTION_TIME: 1.33423
PRECURSOR_MZ: 214.0303
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 5
104.01654   86844.0
124.98233   194375.0
127.01563   4696021.0
128.97701   47970.0
142.99275   4310988.0

SCANNUMBER: 5447
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H20O6P2S3
INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N
INCHI: 
SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Temephos
RETENTION_TIME: 7.736881
PRECURSOR_MZ: 466.9978
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 44
124.98233   218400.0
125.00596   124192.0
127.01563   590561.0
139.02167   79978.0

356.03104   227870.0
357.03922   75786.0
387.9765    125383.0

SCANNUMBER: 1625
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C4H8O4Cl3P
INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N
INCHI: 
SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Trichlorfon
RETENTION_TIME: 2.242985
PRECURSOR_MZ: 256.9308
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
93.01007    104589.0
97.00512    72293.0
112.99994   32292.0
127.01563   3150219.0

SCANNUMBER: 2002
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H18NO4PS2
INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N
INCHI: 
SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Vamidothion
RETENTION_TIME: 2.914602
PRECURSOR_MZ: 288.0491
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 3
118.03215   464396.0
146.06366   10321336.0
288.04907   1456244.0

SCANNUMBER: 1209
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C7H14N2O4S
INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Aldicarb sulfone
RETENTION_TIME: 1.483623
PRECURSOR_MZ: 223.075
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 9
86.06018    763151.0
106.03234   330646.0
120.04782   16624.0
148.03964   11931.0

208.9567    12192.0
223.06381   99297.0
223.07454   90546.0

SCANNUMBER: 4766
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H30N2O5S
INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N
INCHI: 
SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Benfuracarb
RETENTION_TIME: 7.163228
PRECURSOR_MZ: 411.1956
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 22
90.03748    30498.0
102.00096   69259.0
109.02874   31641.0
111.08049   29319.0

171.0114    23364.0
177.03709   172641.0
195.04765   2265269.0

SCANNUMBER: 1209
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C7H14N2O4S
INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N
INCHI: 
SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Butoxycarboxim
RETENTION_TIME: 1.483623
PRECURSOR_MZ: 223.075
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 9
86.06018    763151.0
106.03234   330646.0
120.04782   16624.0
148.03964   11931.0

208.9567    12192.0
223.06381   99297.0
223.07454   90546.0

SCANNUMBER: 4928
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H26N2O5S
INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N
INCHI: 
SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Furathiocarb
RETENTION_TIME: 7.19165
PRECURSOR_MZ: 383.1642
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 49
87.02665    170322.0
90.03748    426298.0
91.05442    232061.0
95.04954    175219.0

177.03709   3978125.0
180.02414   213051.0
195.04765   11849349.0

SCANNUMBER: 3333
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H11N3OS
INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Methabenzthiazuron
RETENTION_TIME: 6.711947
PRECURSOR_MZ: 222.0702
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 8
92.0498     456372.0
109.01102   367319.0
123.01394   375280.0
124.02193   2568680.0

150.02492   9399192.0
163.03316   152108.0
165.04836   9598566.0

SCANNUMBER: 1984
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H16N4OS
INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

156.05936   1133851.0
157.06721   6762498.0
172.09081   12592908.0

SCANNUMBER: 2185
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H8N4OS
INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccccc1)Nc1cnns1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2307
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO2S
INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N
INCHI: 
SMILES: CCSCc1ccccc1OC(=NC)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2724
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO2S
INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1753
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H15NO3
INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

123.04434   10121862.0
137.05997   448261.0
147.08089   104307.0

SCANNUMBER: 4866
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H15N2O2Cl
INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

233.15379   75598.0
246.03224   40845.0
249.18484   96150.0

SCANNUMBER: 2586
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H13N2OCl
INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

140.02612   1662428.0
153.02165   91587.0
168.02145   83345.0

SCANNUMBER: 2273
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H22N2O
INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
INCHI: 
SMILES: CN(C(=NC1CCCCCCC1)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 3582
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H21NO4
INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N
INCHI: 
SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 5619
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H9N2O2ClF2
INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N
INCHI: 
SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 3192
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H10N2OCl2
INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

159.97182   940217.0
172.96721   73012.0
187.96654   38425.0

SCANNUMBER: 1320
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H13NO4
INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1ccccc1C1OCCO1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1667
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H13NO4
INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2735
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H17NO2
INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N
INCHI: 
SMILES: CCC(c1ccccc1OC(=NC)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 7794
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C21H11N2O3ClF6
INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

328.76389   301405.0
407.68225   401379.0
409.68002   103253.0

SCANNUMBER: 1879
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H11N2OF3
INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

178.04784   113811.0
188.03226   109696.0
192.06305   82452.0

SCANNUMBER: 3521
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H10N3OCl
INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1109
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H15NO4
INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N
INCHI: 
SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 7519
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C22H17N3O7ClF3
INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N
INCHI: 
SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

218.04218   536326.0
219.03232   457473.0
223.01553   87858.0

SCANNUMBER: 3798
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H28N2O3
INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
INCHI: 
SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

186.11298   1809182.0
203.13902   3619220.0
321.21719   658523.0

SCANNUMBER: 2221
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H18N2O
INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
INCHI: 
SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

147.0919    129941.0
162.09142   42617.0
165.10242   74899.0

SCANNUMBER: 3991
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H10N2O2Cl2
INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
INCHI: 
SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

181.0168    457538.0
182.02429   570846.0
216.99352   182540.0

SCANNUMBER: 2948
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H11N2O2Br
INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
INCHI: 
SMILES: CON(C(=O)Nc1ccc(cc1)Br)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

170.96819   2866842.0
183.97557   70285.0
226.98169   352678.0

SCANNUMBER: 2345
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H11N2O2Cl
INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
INCHI: 
SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

147.05553   873918.0
148.06332   1071865.0
183.03224   448058.0

SCANNUMBER: 6056
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H19NO4
INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
INCHI: 
SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1173
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H12N2O
INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
INCHI: 
SMILES: CN(C(=Nc1ccccc1)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

104.96333   7099.0
105.04477   391134.0
120.04464   89335.0

SCANNUMBER: 2001
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO2
INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1ccccc1C(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 8910
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H18N3O4Cl
INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
INCHI: 
SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

356.08151   2958382.0
357.08807   317478.0
388.10776   6476718.0

SCANNUMBER: 3358
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H20N2O
INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
INCHI: 
SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

105.04506   1075144.0
120.04464   1602718.0
137.07117   1760320.0

SCANNUMBER: 3451
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H20N2O
INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
INCHI: 
SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

105.04477   331107.0
120.04464   414038.0
137.07117   494688.0

SCANNUMBER: 6489
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H16NOClS
INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
INCHI: 
SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 5946
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H10N2O3ClF3
INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N
INCHI: 
SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 3629
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H13NO2
INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
INCHI: 
SMILES: CC(OC(=Nc1ccccc1)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

124.03935   187312.0
134.0237    14609.0
152.0343    3135.0

SCANNUMBER: 1562
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO3
INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1ccccc1OC(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 4942
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H16N2OCl2
INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N
INCHI: 
SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

172.9666    45053.0
173.50816   20256.0
187.96652   106090.0

SCANNUMBER: 1410
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H18N4O2
INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
INCHI: 
SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

180.11363   53047.0
182.12914   1046026.0
195.16029   68565.0

SCANNUMBER: 3089
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H17NO2
INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2984
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H17N5S
INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
INCHI: 
SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

184.06534   61690.0
186.08095   4152044.0
228.12772   94575.0

SCANNUMBER: 7002
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C22H17N3O5
INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N
INCHI: 
SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

329.08087   15964814.0
344.10461   2718360.0
372.10004   167044.0

SCANNUMBER: 7850
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H23NO3
INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N
INCHI: 
SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

122.09673   517871.0
133.08878   546024.0
148.11217   23207426.0

SCANNUMBER: 6328
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H12N2OCl2
INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

305.04871   107573.0
306.05643   72921.0
307.06335   2958245.0

SCANNUMBER: 2756
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H16N2O3
INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N
INCHI: 
SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

237.07993   102575.0
237.09068   314588.0
237.12401   187935.0

SCANNUMBER: 6914
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H14N3O3Cl2F3
INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N
INCHI: 
SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

320.04153   58056.0
338.00775   410316.0
345.99677   2618042.0

SCANNUMBER: 5260
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H14N5O2BrCl2
INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 9818
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H8N4Cl2
INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 5584
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H15N3
INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N
INCHI: 
SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

211.11086   699261.0
224.1181    912227.0
226.13422   16374867.0

SCANNUMBER: 614
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C6H10N6
INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
INCHI: 
SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

150.0777    7345.0
151.07292   35146.0
167.10403   54669.0

SCANNUMBER: 946
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C6H10N6
INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
INCHI: 
SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

151.07292   16833.0
155.01868   3272.0
167.10403   33800.0

SCANNUMBER: 7508
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H22N2O3
INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N
INCHI: 
SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

222.09152   46935.0
222.10396   66419.0
223.09956   719508.0

SCANNUMBER: 11226
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H22N2O
INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
INCHI: 
SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

146.10915   4833104.0
147.05551   4215618.0
161.13255   3701806.0

SCANNUMBER: 5614
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H17NO2Cl2
INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 10879
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C24H27N3O4
INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N
INCHI: 
SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

230.09335   285190.0
231.10078   772223.0
366.14682   271014.0

SCANNUMBER: 1609
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H6N3OF3
INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N
INCHI: 
SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Flonicamid
RETENTION_TIME: 1.603478
PRECURSOR_MZ: 230.054
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 22
98.04052    1513015.0
101.01998   130358.0
126.03515   270418.0
128.0309    1130827.0

176.0318    1685318.0
183.0369    1014810.0
203.04269   761411.0

SCANNUMBER: 7721
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C21H16N4O5ClF
INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N
INCHI: 
SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Fluoxastrobin
RETENTION_TIME: 7.061409
PRECURSOR_MZ: 459.0882
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 85
90.03426    262008.0
93.0339     81235.0
95.04953    126363.0
104.04984   132927.0

342.04449   118004.0
367.03973   216560.0
383.03424   104628.0

SCANNUMBER: 3979
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H16NO2F3
INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
INCHI: 
SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Flutolanil
RETENTION_TIME: 6.193638
PRECURSOR_MZ: 324.1214
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 12
111.04436   4020810.0
121.03985   3392917.0
130.02905   2402830.0
145.02599   877135.0

242.05533   161728.0
242.06139   15929322.0
262.06796   878870.0

SCANNUMBER: 3970
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H19NO4
INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N
INCHI: 
SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2732
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H14N2OCl2
INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N
INCHI: 
SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

186.97179   139839.0
200.98682   142186.0
255.00883   411510.0

SCANNUMBER: 2109
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H10N5O2Cl
INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N
INCHI: 
SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Imidacloprid
RETENTION_TIME: 3.079668
PRECURSOR_MZ: 256.0602
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 36
99.05553    45726.0
105.04505   49039.0
106.06546   54345.0
107.06065   64812.0

208.05171   91411.0
209.05724   1316587.0
209.05885   3531093.0

SCANNUMBER: 7168
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C23H22NO4Cl
INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N
INCHI: 
SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 7089
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H13N3
INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N
INCHI: 
SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Mepanipyrim
RETENTION_TIME: 6.936112
PRECURSOR_MZ: 224.1185
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 102
89.03882    517274.0
90.03403    2492239.0
91.04182    279822.0
91.05441    689902.0

222.10307   5281894.0
223.11121   2054946.0
224.119     13923746.0

SCANNUMBER: 1471
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C7H14N4O3
INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N
INCHI: 
SMILES: CN=C(NN(=O)=O)NCC1COCC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Dinotefuran
RETENTION_TIME: 1.502809
PRECURSOR_MZ: 203.1141
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 13
87.07939    212770.0
100.0872    147065.0
101.09495   14292.0
112.08705   103076.0

157.12112   345152.0
173.11627   46987.0
203.11415   399504.0

SCANNUMBER: 8648
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C24H16N4O2F6
INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
INCHI: 
SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

287.07932   2154516.0
288.0871    575359.0
330.08609   207585.0

SCANNUMBER: 3592
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H21NO4
INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N
INCHI: 
SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

164.10716   139534.0
192.13879   614235.0
220.13348   136200.0

SCANNUMBER: 4181
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H17N4Cl
INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N
INCHI: 
SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

168.09337   31175.0
175.03131   41390.0
178.04208   93247.0

SCANNUMBER: 3029
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H18N2O4
INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
INCHI: 
SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 7968
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H16N3O2Cl3
INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N
INCHI: 
SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2214
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
INCHI: 
SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

168.0881    278497.0
170.10394   12296676.0
184.11964   1858746.0

SCANNUMBER: 2376
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
INCHI: 
SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

170.10394   12923365.0
184.11964   137608.0
226.16615   243943.0

SCANNUMBER: 1328
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H11N5O
INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N
INCHI: 
SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 3243
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H15NO2
INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

107.04936   2653095.0
115.03907   949155.0
125.05998   14590636.0

SCANNUMBER: 3684
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H13N3
INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
INCHI: 
SMILES: Cc1cc(C)nc(n1)Nc1ccccc1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

198.10313   499158.0
199.11044   154902.0
200.11862   13352280.0

SCANNUMBER: 10159
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H19NO3
INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N
INCHI: 
SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

186.06801   602621.0
194.07315   653455.0
199.07576   804230.0

SCANNUMBER: 5448
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H19NO2
INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
INCHI: 
SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

119.04979   16405699.0
119.0592    353581.0
136.03949   166339.0

SCANNUMBER: 3190
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H35NO2
INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
INCHI: 
SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 8797
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H24N3OCl
INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
INCHI: 
SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

188.05853   456215.0
200.05861   396435.0
334.16821   933979.0

SCANNUMBER: 2214
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
INCHI: 
SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

168.0881    278497.0
170.10394   12296676.0
184.11964   1858746.0

SCANNUMBER: 2376
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
INCHI: 
SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

170.10394   12923365.0
184.11964   137608.0
226.16615   243943.0

SCANNUMBER: 4753
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H16N3O2Cl
INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N
INCHI: 
SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

175.07544   124355.0
190.09877   46793.0
197.073     124633.0

SCANNUMBER: 8085
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H19N2O4F3
INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
INCHI: 
SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

173.03255   3885334.0
186.05302   16153518.0
206.08214   362046.0

SCANNUMBER: 7511
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H16Cl3NO2
INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N
INCHI: 
SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 10658
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H8NOCl2F
INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
INCHI: 
SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

280.00934   1380984.0
287.99789   1053238.0
308.00415   16622164.0

SCANNUMBER: 10564
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C23H22O6
INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N
INCHI: 
SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

347.091     7782.0
349.10764   9303.0
377.13797   5836.0

SCANNUMBER: 2214
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
INCHI: 
SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Secbumeton_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

168.0881    278497.0
170.10394   12296676.0
184.11964   1858746.0

SCANNUMBER: 2376
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
INCHI: 
SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Secbumeton_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

170.10394   12923365.0
184.11964   137608.0
226.16615   243943.0

SCANNUMBER: 3100
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H35NO2
INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
INCHI: 
SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 6504
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H6N2OS2
INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
INCHI: 
SMILES: CSC(=O)c1cccc2c1snn2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

152.98305   216362.0
167.97003   464522.0
210.99977   327401.0

SCANNUMBER: 3267
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H24N4O3S
INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
INCHI: 
SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Bupirimate
RETENTION_TIME: 6.076324
PRECURSOR_MZ: 317.1649
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 55
86.07153    235598.0
93.07003    108137.0
95.06072    255743.0
95.08585    244503.0

237.20732   1204267.0
262.08615   349666.0
272.10626   143082.0

SCANNUMBER: 5627
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H23N3OS
INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
INCHI: 
SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Buprofezin
RETENTION_TIME: 7.028851
PRECURSOR_MZ: 306.1638
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 7
86.06017    3955916.0
95.04928    722739.0
102.03746   765607.0
102.99629   1020337.0
106.06516   49438552.0
145.04333   786651.0
208.05412   1036458.0

SCANNUMBER: 2650
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H13NO2S
INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
INCHI: 
SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Carboxin
RETENTION_TIME: 5.514598
PRECURSOR_MZ: 236.0745
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 21
86.99005    83162.0
89.00569    35962.0
92.0498     113299.0
93.0575     2928372.0

162.03714   126130.0
165.02444   140508.0
166.03207   97516.0

SCANNUMBER: 4128
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H26NO3ClS
INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
INCHI: 
SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Clethodim_1
RETENTION_TIME: 6.687163
PRECURSOR_MZ: 360.1401
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 93
89.0422     26517.0
91.05441    49957.0
92.04956    6055.0
93.0575     11783.0

206.11787   6696.0
212.11047   16431.0
240.10542   8682.0

SCANNUMBER: 7016
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H26NO3ClS
INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
INCHI: 
SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
COMMENT: 
COMPOUND_NAME: Clethodim_2
RETENTION_TIME: 7.277172
PRECURSOR_MZ: 360.1401
ADDUCT: [M+H]+
COLLISION_ENERGY: 
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 68
89.0422     98238.0
91.05464    171745.0
93.05774    38046.0
93.07027    136004.0

208.13387   37258.0
212.11047   103531.0
240.10542   87328.0

SCANNUMBER: 1358
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C6H8N5O2ClS
INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

206.01546   199604.0
220.01871   34828.0
250.01668   782407.0

SCANNUMBER: 4651
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H13N4O2ClS
INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
INCHI: 
SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

325.052     1817226.0
325.14325   121241.0
325.23611   85648.0

SCANNUMBER: 2873
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H9N4OCl2F3S
INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
INCHI: 
SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

315.97946   548987.0
323.93817   233169.0
350.94952   1933706.0

SCANNUMBER: 3176
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H18O5S
INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N
INCHI: 
SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

259.06424   3450423.0
277.07498   105295.0
287.09497   1000737.0

SCANNUMBER: 4022
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H17N3OS
INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
INCHI: 
SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

221.0947    1138537.0
236.11884   5452674.0
237.04855   688489.0

SCANNUMBER: 3428
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H4N4OCl2F6S
INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
INCHI: 
SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

341.94772   7327.0
350.94775   6206.0
367.95102   6446.0

SCANNUMBER: 3663
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H13N3O2F4S
INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
INCHI: 
SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 7986
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H21N2O2ClS
INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N
INCHI: 
SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

194.03688   1165217.0
210.01369   101590.0
228.02509   203533.0

SCANNUMBER: 6090
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H14N2O2S
INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
INCHI: 
SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

136.02161   2145909.0
148.0759    2833957.0
152.01669   272045.0

SCANNUMBER: 1880
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H13NO7S
INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N
INCHI: 
SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

275.03772   37760.0
293.04776   19676.0
294.05606   18376.0

SCANNUMBER: 2365
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H21N5OS
INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
INCHI: 
SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

212.09639   2176296.0
230.10741   452827.0
240.1284    1276547.0

SCANNUMBER: 1932
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H14N4OS
INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N
INCHI: 
SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

186.08231   47791.0
187.10153   1851092.0
215.09644   112225.0

SCANNUMBER: 2407
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5S
INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
INCHI: 
SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

173.50693   425480.0
186.08095   16656961.0
200.09659   2036050.0

SCANNUMBER: 8415
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H25N2OClS
INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
INCHI: 
SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1608
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H15N5S
INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
INCHI: 
SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

166.10905   576911.0
186.08095   411980.0
214.11266   506708.0

SCANNUMBER: 2110
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H10N4O3Cl2F2S
INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

306.99692   72556.0
308.00412   68794.0
336.99271   19232.0

SCANNUMBER: 2407
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5S
INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
INCHI: 
SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

173.50693   425480.0
186.08095   16656961.0
200.09659   2036050.0

SCANNUMBER: 1232
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H7N3S
INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
INCHI: 
SMILES: c1scc(n1)c1nc2c([nH]1)cccc2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1685
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C10H9N4ClS
INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N
INCHI: 
SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1108
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C8H10N5O3ClS
INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N
INCHI: 
SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

246.0343    359117.0
248.02554   112237.0
292.02722   584625.0

SCANNUMBER: 2638
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H7N3S
INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
INCHI: 
SMILES: Cc1cccc2c1n1cnnc1s2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

137.01691   212259.0
163.03258   14491751.0
190.04391   4390148.0

SCANNUMBER: 2801
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H12N2OCl2
INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N
INCHI: 
SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

277.0527    143152.0
278.06161   515869.0
279.06857   114232.0

SCANNUMBER: 3202
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H17N4Cl
INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N
INCHI: 
SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

139.0309    716816.0
155.06064   335216.0
163.0309    736285.0

SCANNUMBER: 3422
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H8N5OCl2F
INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

339.01056   449848.0
349.00613   731296.0
349.98984   271485.0

SCANNUMBER: 1408
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H13N3OF2
INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N
INCHI: 
SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

195.06081   577107.0
214.05884   311976.0
215.0668    353163.0

SCANNUMBER: 1202
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H8N2O
INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
INCHI: 
SMILES: c1coc(c1)c1nc2c([nH]1)cccc2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

156.06877   35950644.0
157.07619   39653584.0
185.0714    6790632.0

SCANNUMBER: 1619
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H18N3OCl
INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
INCHI: 
SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1786
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H18N3OCl
INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
INCHI: 
SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2657
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H19N3OCl2
INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

186.97108   498843.0
190.96622   746907.0
199.00793   579087.0

SCANNUMBER: 4342
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H17N3O3Cl2
INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
INCHI: 
SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

223.00838   2665156.0
251.0031    32513990.0
264.98291   3756956.0

SCANNUMBER: 3119
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H17N3OCl2
INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N
INCHI: 
SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

264.0097    43206.0
270.01987   48934.0
278.02554   102202.0

SCANNUMBER: 3124
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H13N3OClF
INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N
INCHI: 
SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

129.04501   7068444.0
138.99483   468356.0
141.01048   1219612.0

SCANNUMBER: 2581
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H15N3O2Cl2
INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N
INCHI: 
SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

174.97166   597883.0
190.96622   527039.0
199.00793   567443.0

SCANNUMBER: 1043
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H19N3O
INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N
INCHI: 
SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

182.12912   2661313.0
193.13402   1554662.0
210.15997   2414378.0

SCANNUMBER: 2543
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C14H17N3OCl2
INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N
INCHI: 
SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

174.97166   740773.0
184.99236   690533.0
188.98734   151249.0

SCANNUMBER: 3476
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C18H24N3OCl
INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
INCHI: 
SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

165.04663   173374.0
177.04655   269267.0
191.06258   291856.0

SCANNUMBER: 3161
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H22N3OCl
INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
INCHI: 
SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

165.04663   82686.0
177.04655   645875.0
191.06258   194319.0

SCANNUMBER: 1883
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H12N2OClF
INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N
INCHI: 
SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

263.09796   32958.0
269.04013   16405.0
270.04846   16960.0

SCANNUMBER: 1764
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H20N3OCl
INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N
INCHI: 
SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

151.03107   202825.0
165.04663   986782.0
173.50876   86407.0

SCANNUMBER: 2459
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H15N3Cl2
INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N
INCHI: 
SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 3131
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H17N3O2Cl2
INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
INCHI: 
SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2993
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H22N3OCl
INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N
INCHI: 
SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

151.03107   2225088.0
165.04663   474739.0
179.0621    93619.0

SCANNUMBER: 1845
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C13H11N3OCl2F4
INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N
INCHI: 
SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2640
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C15H15N3OClF3
INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
INCHI: 
SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2549
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C17H20N3OCl
INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N
INCHI: 
SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

190.04179   48399.0
191.06258   581232.0
196.12456   74697.0

SCANNUMBER: 3229
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C43H69NO10
INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N
INCHI: 
SMILES: CCOC1C(OC)C(OC2CC3C(C2)C(=CC2C3C=C3C2CC(=O)OC(CC)CCCC(C(C3=O)C)OC2CCC(C(O2)C)N(C)C)C)OC(C1OC)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

183.11732   117521.0
211.11166   121662.0
213.09132   89441.0

SCANNUMBER: 3373
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C49H75NO13
INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N
INCHI: 
SMILES: CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

140.10709   213152.0
158.11794   18414448.0
173.50876   230972.0

SCANNUMBER: 1283
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C20H33NO
INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
INCHI: 
SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

147.11678   29169826.0
161.13254   881881.0
304.26379   2555976.0

SCANNUMBER: 4501
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C21H24O4Cl2
INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N
INCHI: 
SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2899
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C41H65NO10
INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N
INCHI: 
SMILES: CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=CC1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

199.07574   416158.0
201.0916    354498.0
225.09103   339682.0

SCANNUMBER: 1978
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C21H27NO5
INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
INCHI: 
SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

253.12317   483222.0
270.14972   5260680.0
302.17508   467268.0

SCANNUMBER: 2785
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C42H69NO10
INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N
INCHI: 
SMILES: CCOC1C(OC)C(OC2CC3C(C2)C2C=C4C(C2CC3)CC(=O)OC(CC)CCCC(C(C4=O)C)OC2CCC(C(O2)C)N(C)C)OC(C1OC)C
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

199.11194   246050.0
203.10715   581698.0
217.12222   236328.0

SCANNUMBER: 1646
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C25H24N4F6
INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N
INCHI: 
SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

366.07346   193709.0
368.08932   5815862.0
495.20059   2433116.0

SCANNUMBER: 742
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H16N2O2
INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1198
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H16N2O2
INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 687
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H20N2O2
INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
INCHI: 
SMILES: CCCOC(=NCCCN(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 1108
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C9H20N2O2
INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
INCHI: 
SMILES: CCCOC(=NCCCN(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 711
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15N3O2
INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

173.50876   2616.0
200.05632   2056.0
208.52768   2170.0

SCANNUMBER: 1161
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15N3O2
INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

145.06488   3067.0
164.95049   3848.0
165.1024    263802.0

SCANNUMBER: 1328
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C12H18N2O2
INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
INCHI: 
SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 3999
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C19H21N2OCl
INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N
INCHI: 
SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2271
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H16N2O4
INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
INCHI: 
SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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

SCANNUMBER: 2458
IONMODE: Positive
SPECTRUMTYPE: Centroid
FORMULA: C16H16N2O4
INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N
INCHI: 
SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
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