COMPOUND_NAME: Acephate
SCANNUMBER: 1161
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C4H10NO3PS
INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N
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
RETENTION_TIME: 1.232997
PRECURSOR_MZ: 184.0194
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 16
90.09368	1128.0
93.11512	1241.0
95.10279	1118.0
101.31465	1152.0
102.90688	1322.0
103.98039	1201.0
112.01607	12289.0
112.99994	38027.0
115.00399	1634.0
124.98121	922.0
128.97701	9208.0
132.57193	1350.0
135.84808	1428.0
142.99275	16419.0
147.94205	1750.0
173.5094	2353.0

COMPOUND_NAME: Carbaryl
SCANNUMBER: 2257
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H11NO2
INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
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
RETENTION_TIME: 5.259445
PRECURSOR_MZ: 202.0863
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 1
145.06491	1326147.0

COMPOUND_NAME: Dicrotophos
SCANNUMBER: 1516
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C8H16NO5P
INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N
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
RETENTION_TIME: 2.025499
PRECURSOR_MZ: 238.0844
ADDUCT: [M+H]+
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

COMPOUND_NAME: Dimethoate
SCANNUMBER: 1865
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C5H12NO3PS2
INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
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
RETENTION_TIME: 2.866696
PRECURSOR_MZ: 230.0072
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 8
88.0219	548446.0
124.98233	183861.0
142.99275	722053.0
156.95422	80792.0
170.97	1426256.0
197.98123	240915.0
198.96501	5415933.0
230.00722	497851.0

COMPOUND_NAME: Dimethomorph
SCANNUMBER: 3852
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C21H22NO4Cl
INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
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
RETENTION_TIME: 7.060486
PRECURSOR_MZ: 388.1316
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 22
114.05532	468862.0
125.01571	886745.0
138.99484	4138370.0
155.0705	425164.0
165.05519	15513399.0
165.06543	350695.0
195.08057	386226.0
215.0262	490061.0
223.07544	702025.0
227.02576	230514.0
229.04225	216308.0
235.07555	241142.0
238.09914	1323577.0
242.04929	2449236.0
243.02142	891584.0
257.03726	578874.0
258.04443	3232295.0
266.0943	358273.0
270.04492	608851.0
273.06772	3866006.0
286.03912	483547.0
301.06311	4060551.0

COMPOUND_NAME: Methamidophos
SCANNUMBER: 1009
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C2H8NO2PS
INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N
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
RETENTION_TIME: 1.153307
PRECURSOR_MZ: 142.0089
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
98.00042	37721.0
109.98272	71172.0
112.01607	2867923.0
127.99321	75837.0

COMPOUND_NAME: Mevinphos
SCANNUMBER: 1924
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C7H13O6P
INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N
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
RETENTION_TIME: 2.876307
PRECURSOR_MZ: 225.0525
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
99.04416	295529.0
127.01563	1960973.0
193.02605	1150190.0
225.05209	101872.0

COMPOUND_NAME: Omethoate
SCANNUMBER: 1246
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C5H12NO4PS
INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N
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
RETENTION_TIME: 1.33423
PRECURSOR_MZ: 214.0303
ADDUCT: [M+H]+
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

COMPOUND_NAME: Temephos
SCANNUMBER: 5447
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C16H20O6P2S3
INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N
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
RETENTION_TIME: 7.736881
PRECURSOR_MZ: 466.9978
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 44
124.98233	218400.0
125.00596	124192.0
127.01563	590561.0
139.02167	79978.0
139.05467	105470.0
140.95975	428071.0
142.99275	7482486.0
154.99849	619650.0
157.00861	365474.0
171.02641	502869.0
172.03448	151150.0
183.02695	176056.0
184.03453	206568.0
187.02121	240339.0
199.02151	245544.0
200.02902	385101.0
201.03729	198527.0
211.03268	88063.0
215.01689	538632.0
217.03214	259530.0
218.98798	87371.0
219.02972	94609.0
230.99336	108101.0
232.03233	244260.0
233.00958	88058.0
247.02538	224924.0
248.03291	127038.0
261.98486	132283.0
262.99268	185876.0
264.00052	186556.0
278.98856	208891.0
293.00336	81563.0
293.99384	84250.0
294.96494	87413.0
296.99844	481380.0
298.0065	151600.0
311.01453	119733.0
313.01282	181581.0
327.99893	299098.0
341.00787	2218540.0
342.01566	293721.0
356.03104	227870.0
357.03922	75786.0
387.9765	125383.0

COMPOUND_NAME: Trichlorfon
SCANNUMBER: 1625
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C4H8O4Cl3P
INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N
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
RETENTION_TIME: 2.242985
PRECURSOR_MZ: 256.9308
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
93.01007	104589.0
97.00512	72293.0
112.99994	32292.0
127.01563	3150219.0

COMPOUND_NAME: Vamidothion
SCANNUMBER: 2002
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C8H18NO4PS2
INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N
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
RETENTION_TIME: 2.914602
PRECURSOR_MZ: 288.0491
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 3
118.03215	464396.0
146.06366	10321336.0
288.04907	1456244.0

COMPOUND_NAME: Aldicarb sulfone
SCANNUMBER: 1209
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C7H14N2O4S
INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N
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
RETENTION_TIME: 1.483623
PRECURSOR_MZ: 223.075
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 9
86.06018	763151.0
106.03234	330646.0
120.04782	16624.0
148.03964	11931.0
148.04301	1170924.0
166.05334	738329.0
208.9567	12192.0
223.06381	99297.0
223.07454	90546.0

COMPOUND_NAME: Benfuracarb
SCANNUMBER: 4766
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C20H30N2O5S
INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N
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
RETENTION_TIME: 7.163228
PRECURSOR_MZ: 411.1956
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 22
90.03748	30498.0
102.00096	69259.0
109.02874	31641.0
111.08049	29319.0
112.07591	44046.0
115.05431	43630.0
116.07085	30236.0
125.00558	53990.0
133.0649	58728.0
137.05998	23811.0
143.04921	51685.0
144.05734	107852.0
149.04198	61180.0
153.0369	175741.0
158.11797	70456.0
161.06012	99721.0
162.0676	971826.0
167.01654	45521.0
167.05246	131346.0
171.0114	23364.0
177.03709	172641.0
195.04765	2265269.0

COMPOUND_NAME: Butoxycarboxim
SCANNUMBER: 1209
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C7H14N2O4S
INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N
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
RETENTION_TIME: 1.483623
PRECURSOR_MZ: 223.075
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 9
86.06018	763151.0
106.03234	330646.0
120.04782	16624.0
148.03964	11931.0
148.04301	1170924.0
166.05334	738329.0
208.9567	12192.0
223.06381	99297.0
223.07454	90546.0

COMPOUND_NAME: Furathiocarb
SCANNUMBER: 4928
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C18H26N2O5S
INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N
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
RETENTION_TIME: 7.19165
PRECURSOR_MZ: 383.1642
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 49
87.02665	170322.0
90.03748	426298.0
91.05442	232061.0
95.04954	175219.0
97.01102	504855.0
105.0702	848188.0
107.04936	404555.0
107.08593	329012.0
109.02874	370826.0
109.0651	289619.0
111.0808	200502.0
115.05464	651489.0
116.06246	367386.0
117.07032	300497.0
118.07793	135317.0
121.06524	216247.0
122.03665	593314.0
123.04434	862460.0
125.00596	4842440.0
131.04935	572523.0
133.0649	1461373.0
134.01871	277355.0
134.07285	254631.0
135.08093	991426.0
137.05998	186090.0
139.02167	356706.0
139.05775	475631.0
143.04967	427124.0
144.05734	1163702.0
145.0649	273080.0
146.07314	822073.0
147.04451	460929.0
147.08089	234097.0
149.00584	154496.0
149.04247	1446405.0
149.06004	3536863.0
153.00082	192002.0
153.0374	1282857.0
161.06012	1492726.0
162.0676	9461931.0
163.07562	216378.0
164.08348	6924294.0
165.09103	228313.0
167.01654	354658.0
167.05304	10929155.0
171.0114	128914.0
177.03709	3978125.0
180.02414	213051.0
195.04765	11849349.0

COMPOUND_NAME: Methabenzthiazuron
SCANNUMBER: 3333
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H11N3OS
INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N
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
RETENTION_TIME: 6.711947
PRECURSOR_MZ: 222.0702
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 8
92.0498	456372.0
109.01102	367319.0
123.01394	375280.0
124.02193	2568680.0
132.06825	123566.0
150.02492	9399192.0
163.03316	152108.0
165.04836	9598566.0

COMPOUND_NAME: Tebuthiuron
SCANNUMBER: 1984
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H16N4OS
INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N
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
RETENTION_TIME: 4.241355
PRECURSOR_MZ: 229.1121
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 9
88.0219	230604.0
89.01719	2030070.0
101.04233	435137.0
116.0279	20609154.0
141.04826	319289.0
142.04346	1851694.0
156.05936	1133851.0
157.06721	6762498.0
172.09081	12592908.0

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

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

COMPOUND_NAME: Methiocarb
SCANNUMBER: 2724
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO2S
INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N
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
RETENTION_TIME: 6.352629
PRECURSOR_MZ: 226.0899
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
121.06488	799606.0
122.07284	96691.0
169.06853	4882474.0
226.08951	145633.0

COMPOUND_NAME: Carbofuran
SCANNUMBER: 1753
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H15NO3
INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N
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
RETENTION_TIME: 4.14677
PRECURSOR_MZ: 222.1128
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 10
91.05442	804154.0
95.04929	737907.0
105.03379	225770.0
105.04506	153330.0
111.04436	105844.0
119.04944	164758.0
119.0857	227890.0
123.04434	10121862.0
137.05997	448261.0
147.08089	104307.0

COMPOUND_NAME: Chloroxuron
SCANNUMBER: 4866
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H15N2O2Cl
INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N
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
RETENTION_TIME: 6.824893
PRECURSOR_MZ: 291.09
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 34
94.04169	27706.0
98.99973	58512.0
106.06546	243512.0
118.06519	562204.0
119.07315	45536.0
120.081	78773.0
126.99488	83528.0
128.06239	310868.0
129.01042	87060.0
139.00583	288886.0
145.0649	99810.0
146.06033	24021.0
147.06796	35662.0
149.01559	36207.0
152.00261	21619.0
154.06534	101982.0
155.06065	198243.0
155.07309	108829.0
163.03091	1196885.0
163.08679	138657.0
164.09476	19883.0
168.05711	61850.0
173.50755	33783.0
175.03131	42262.0
182.05989	34322.0
183.06813	160230.0
190.04181	279261.0
191.02574	49125.0
211.06313	28451.0
218.03699	1977628.0
219.04449	20961.0
233.15379	75598.0
246.03224	40845.0
249.18484	96150.0

COMPOUND_NAME: Chlortoluron
SCANNUMBER: 2586
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H13N2OCl
INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N
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
RETENTION_TIME: 5.193264
PRECURSOR_MZ: 213.0795
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 14
89.03883	57032.0
95.04929	125786.0
96.04461	17062.0
98.99973	31149.0
104.04956	355337.0
105.04477	72262.0
105.05748	49060.0
113.01541	282031.0
125.01533	380427.0
132.04463	44913.0
133.05254	86668.0
140.02612	1662428.0
153.02165	91587.0
168.02145	83345.0

COMPOUND_NAME: Cycluron
SCANNUMBER: 2273
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H22N2O
INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
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
RETENTION_TIME: 5.00998
PRECURSOR_MZ: 199.1809
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
89.07108	1303776.0
111.11694	18709.0
147.92079	14411.0
147.93768	15209.0

COMPOUND_NAME: Diethofencarb
SCANNUMBER: 3582
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H21NO4
INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N
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
RETENTION_TIME: 6.124817
PRECURSOR_MZ: 268.1547
ADDUCT: [M+H]+
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

COMPOUND_NAME: Diflubenzuron
SCANNUMBER: 5619
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H9N2O2ClF2
INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N
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
RETENTION_TIME: 6.959446
PRECURSOR_MZ: 311.0396
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 3
141.01498	340685.0
158.04167	9035608.0
311.03952	2283440.0

COMPOUND_NAME: Diuron
SCANNUMBER: 3192
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H10N2OCl2
INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
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
RETENTION_TIME: 5.711479
PRECURSOR_MZ: 233.0248
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 8
123.99487	30141.0
125.00295	82231.0
132.96072	233186.0
151.03258	25890.0
152.99777	66942.0
159.97182	940217.0
172.96721	73012.0
187.96654	38425.0

COMPOUND_NAME: Dioxacarb
SCANNUMBER: 1320
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H13NO4
INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N
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
RETENTION_TIME: 2.808769
PRECURSOR_MZ: 224.092
ADDUCT: [M+H]+
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

COMPOUND_NAME: Bendiocarb
SCANNUMBER: 1667
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H13NO4
INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N
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
RETENTION_TIME: 4.036841
PRECURSOR_MZ: 224.092
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
109.02843	576717.0
167.07042	2075283.0
224.092	50305.0
224.12801	22894.0

COMPOUND_NAME: Fenobucarb
SCANNUMBER: 2735
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H17NO2
INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N
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
RETENTION_TIME: 5.279047
PRECURSOR_MZ: 208.1339
ADDUCT: [M+H]+
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

COMPOUND_NAME: Flufenoxuron
SCANNUMBER: 7794
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C21H11N2O3ClF6
INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N
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
RETENTION_TIME: 7.258582
PRECURSOR_MZ: 489.044
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 9
140.03102	198040.0
141.01498	8731300.0
141.02489	125031.0
158.04167	5469943.0
306.03055	226666.0
326.76685	460767.0
328.76389	301405.0
407.68225	401379.0
409.68002	103253.0

COMPOUND_NAME: Fluometuron
SCANNUMBER: 1879
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H11N2OF3
INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N
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
RETENTION_TIME: 4.295248
PRECURSOR_MZ: 233.0903
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 14
133.02617	72647.0
140.03056	412576.0
141.02579	30382.0
145.02599	1001995.0
148.03093	43335.0
160.03375	16242.0
160.037	1435798.0
163.0365	19807.0
168.02554	576288.0
173.03194	272722.0
173.50755	34131.0
178.04784	113811.0
188.03226	109696.0
192.06305	82452.0

COMPOUND_NAME: Forchlorfenuron
SCANNUMBER: 3521
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H10N3OCl
INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N
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
RETENTION_TIME: 6.068144
PRECURSOR_MZ: 248.0593
ADDUCT: [M+H]+
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

COMPOUND_NAME: 3-Hydroxycarbofuran
SCANNUMBER: 1109
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H15NO4
INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N
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
RETENTION_TIME: 2.534817
PRECURSOR_MZ: 238.1075
ADDUCT: [M+H]+
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

COMPOUND_NAME: Indoxacarb
SCANNUMBER: 7519
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C22H17N3O7ClF3
INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N
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
RETENTION_TIME: 7.23968
PRECURSOR_MZ: 528.0795
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 38
104.04956	303700.0
127.04175	99545.0
128.06201	117126.0
132.04463	290691.0
134.0237	264912.0
137.0152	94534.0
142.06526	75186.0
149.01559	214826.0
150.0106	1405054.0
155.06065	232073.0
160.05058	254333.0
162.01057	1521152.0
163.01862	86648.0
163.03091	132653.0
164.02652	208730.0
165.03412	90438.0
167.0258	357529.0
168.02145	1690027.0
174.99464	101678.0
177.01054	92638.0
177.03394	231314.0
179.02611	358184.0
180.02089	413839.0
182.03682	119810.0
189.02151	643960.0
190.00526	1446936.0
190.04744	486518.0
194.03688	93119.0
195.02061	551503.0
203.01863	7362278.0
204.00897	308332.0
207.02065	269934.0
208.01628	221573.0
215.04312	81774.0
217.01668	489943.0
218.04218	536326.0
219.03232	457473.0
223.01553	87858.0

COMPOUND_NAME: Iprovalicarb
SCANNUMBER: 3798
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C18H28N2O3
INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
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
RETENTION_TIME: 6.291288
PRECURSOR_MZ: 321.218
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 9
116.07085	2061421.0
117.10262	213026.0
119.0857	8088768.0
144.06569	976637.0
158.11795	349762.0
161.09248	110448.0
186.11298	1809182.0
203.13902	3619220.0
321.21719	658523.0

COMPOUND_NAME: Isoproturon
SCANNUMBER: 2221
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H18N2O
INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
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
RETENTION_TIME: 4.953308
PRECURSOR_MZ: 207.1494
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 27
91.05442	804905.0
92.04957	254047.0
93.0575	33128.0
93.07003	116103.0
94.06519	63492.0
95.04929	164116.0
103.05439	51947.0
104.0621	43995.0
105.04477	78368.0
105.06991	101627.0
106.06517	86652.0
107.08415	19657.0
107.08563	575392.0
108.08108	26529.0
109.0651	34575.0
115.05431	109513.0
117.06998	312366.0
118.06519	123299.0
119.0606	36796.0
119.07315	606574.0
120.04464	242145.0
132.08089	72884.0
134.0966	1730390.0
137.09615	58215.0
147.0919	129941.0
162.09142	42617.0
165.10242	74899.0

COMPOUND_NAME: Linuron
SCANNUMBER: 3991
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H10N2O2Cl2
INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
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
RETENTION_TIME: 6.428301
PRECURSOR_MZ: 249.0202
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 17
123.99524	160993.0
125.00295	934482.0
126.01085	53171.0
127.0187	34132.0
132.96072	2098030.0
133.96875	42332.0
142.00574	58394.0
153.02165	907640.0
154.02942	31975.0
159.97182	1453641.0
160.97951	1564652.0
165.02161	76894.0
167.0009	34764.0
173.98759	32777.0
181.0168	457538.0
182.02429	570846.0
216.99352	182540.0

COMPOUND_NAME: Metobromuron
SCANNUMBER: 2948
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H11N2O2Br
INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
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
RETENTION_TIME: 5.555997
PRECURSOR_MZ: 259.0081
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 15
90.03403	60649.0
91.04183	2389714.0
92.04957	214805.0
93.0575	47461.0
110.06014	105724.0
119.0606	1438162.0
120.06829	52547.0
131.06062	84354.0
142.94916	1281698.0
147.05553	745419.0
148.06332	717928.0
169.95995	3654354.0
170.96819	2866842.0
183.97557	70285.0
226.98169	352678.0

COMPOUND_NAME: Monolinuron
SCANNUMBER: 2345
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H11N2O2Cl
INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
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
RETENTION_TIME: 5.086284
PRECURSOR_MZ: 215.0587
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 16
90.03403	245033.0
91.04183	266487.0
92.0498	149734.0
93.0575	65470.0
98.99973	5081895.0
100.00744	171810.0
119.0606	1725493.0
120.06829	76212.0
126.01085	4292995.0
127.01831	4179362.0
131.06062	91755.0
140.02657	95768.0
141.02174	52283.0
147.05553	873918.0
148.06332	1071865.0
183.03224	448058.0

COMPOUND_NAME: Fenoxycarb
SCANNUMBER: 6056
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H19NO4
INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
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
RETENTION_TIME: 7.007411
PRECURSOR_MZ: 302.1392
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
88.03963	3398675.0
116.07085	7870537.0
256.09756	3714539.0
302.13986	4154405.0

COMPOUND_NAME: Fenuron
SCANNUMBER: 1173
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H12N2O
INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
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
RETENTION_TIME: 2.603287
PRECURSOR_MZ: 165.1026
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 8
90.94795	13666.0
92.04957	465012.0
93.0575	10288.0
95.0478	10698.0
95.04929	620773.0
104.96333	7099.0
105.04477	391134.0
120.04464	89335.0

COMPOUND_NAME: Isoprocarb
SCANNUMBER: 2001
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO2
INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
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
RETENTION_TIME: 4.552796
PRECURSOR_MZ: 194.1181
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
95.04929	1741248.0
137.09615	1255669.0
152.07103	658146.0
194.11743	393850.0

COMPOUND_NAME: Pyraclostrobin
SCANNUMBER: 8910
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C19H18N3O4Cl
INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
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
RETENTION_TIME: 7.421628
PRECURSOR_MZ: 388.107
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 11
162.0554	983545.0
163.06332	1950324.0
164.07108	4818863.0
194.08186	23217608.0
296.05423	282175.0
296.05969	5986147.0
324.05402	1024635.0
356.07611	701579.0
356.08151	2958382.0
357.08807	317478.0
388.10776	6476718.0

COMPOUND_NAME: Siduron_1
SCANNUMBER: 3358
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H20N2O
INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
RETENTION_TIME: 5.922128
PRECURSOR_MZ: 233.1652
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 8
92.0498	933541.0
93.0575	170423.0
94.06544	14211722.0
95.04929	2073643.0
97.10134	599721.0
105.04506	1075144.0
120.04464	1602718.0
137.07117	1760320.0

COMPOUND_NAME: Siduron_2
SCANNUMBER: 3451
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H20N2O
INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
RETENTION_TIME: 6.048454
PRECURSOR_MZ: 233.1654
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 8
92.04957	227079.0
93.0575	48287.0
94.06519	3308508.0
95.04929	491391.0
97.10134	147324.0
105.04477	331107.0
120.04464	414038.0
137.07117	494688.0

COMPOUND_NAME: Thiobencarb
SCANNUMBER: 6489
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H16NOClS
INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
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
RETENTION_TIME: 7.094566
PRECURSOR_MZ: 258.0717
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 3
89.03883	1114558.0
98.99973	585236.0
125.01533	28327212.0

COMPOUND_NAME: Triflumuron
SCANNUMBER: 5946
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H10N2O3ClF3
INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N
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
RETENTION_TIME: 6.978649
PRECURSOR_MZ: 359.0412
ADDUCT: [M+H]+
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

COMPOUND_NAME: Propham
SCANNUMBER: 3629
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H13NO2
INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
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
RETENTION_TIME: 6.134321
PRECURSOR_MZ: 180.1022
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 13
91.05442	8291.0
93.0575	2806.0
95.04929	8647.0
96.04461	67785.0
97.02845	206258.0
105.0335	4841.0
105.04477	6538.0
106.02882	185730.0
109.02843	2611.0
117.0574	2236.0
124.03935	187312.0
134.0237	14609.0
152.0343	3135.0

COMPOUND_NAME: Propoxur
SCANNUMBER: 1562
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15NO3
INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
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
RETENTION_TIME: 3.894733
PRECURSOR_MZ: 210.1129
ADDUCT: [M+H]+
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

COMPOUND_NAME: Neburon
SCANNUMBER: 4942
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H16N2OCl2
INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N
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
RETENTION_TIME: 6.834164
PRECURSOR_MZ: 275.0721
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 12
88.11217	614563.0
114.09161	31817.0
123.99487	30163.0
125.00258	66386.0
127.01831	315476.0
132.96072	198326.0
152.99777	149347.0
159.97182	1502459.0
161.98734	127589.0
172.9666	45053.0
173.50816	20256.0
187.96652	106090.0

COMPOUND_NAME: Pirimicarb
SCANNUMBER: 1410
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H18N4O2
INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
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
RETENTION_TIME: 2.886323
PRECURSOR_MZ: 239.1508
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 16
85.07622	1062158.0
94.05271	17085.0
109.07641	1234692.0
123.0557	18419.0
124.06345	155955.0
137.07117	726268.0
138.0789	659866.0
139.08681	37108.0
150.10287	446134.0
152.08211	433568.0
166.09756	38582.0
167.10577	250650.0
168.11327	14402.0
180.11363	53047.0
182.12914	1046026.0
195.16029	68565.0

COMPOUND_NAME: Promecarb
SCANNUMBER: 3089
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H17NO2
INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
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
RETENTION_TIME: 5.65392
PRECURSOR_MZ: 208.1339
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 3
109.0651	1911986.0
151.1118	3833728.0
208.13309	173991.0

COMPOUND_NAME: Ametryn
SCANNUMBER: 2984
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H17N5S
INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
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
RETENTION_TIME: 4.38309
PRECURSOR_MZ: 228.1282
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 15
85.05116	494786.0
91.03273	2410460.0
96.05421	57071.0
96.05572	4102907.0
102.03746	125646.0
110.04619	527391.0
113.08218	433234.0
116.0279	3479269.0
138.07761	1659836.0
140.09331	43027.0
144.05919	1428619.0
158.04967	1355067.0
184.06534	61690.0
186.08095	4152044.0
228.12772	94575.0

COMPOUND_NAME: Azoxystrobin
SCANNUMBER: 7002
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C22H17N3O5
INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N
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
RETENTION_TIME: 6.9269
PRECURSOR_MZ: 404.1249
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 46
120.04499	298934.0
129.04543	475852.0
130.0406	263606.0
133.05293	386291.0
134.06076	1413032.0
141.04556	164042.0
143.06114	793237.0
145.02927	438571.0
145.0527	469026.0
155.06116	174099.0
156.04523	1265874.0
169.04019	657911.0
170.04799	171763.0
171.03239	360415.0
171.05582	571918.0
172.03992	1796369.0
173.04782	282353.0
177.05542	349400.0
182.04868	292236.0
182.0724	305597.0
183.05617	4029271.0
199.05089	723420.0
200.03506	1025293.0
201.04263	1807636.0
201.06636	510108.0
210.04311	1974682.0
210.0668	342264.0
211.05078	355209.0
216.06657	1168439.0
246.07988	182890.0
272.0834	1282380.0
273.06769	795436.0
273.0907	1168355.0
274.07443	221912.0
275.08304	260482.0
287.08322	453884.0
288.06744	172169.0
300.07855	1244681.0
301.08551	3241347.0
312.07855	219216.0
315.10245	205186.0
316.10916	292099.0
328.07382	3766201.0
329.08087	15964814.0
344.10461	2718360.0
372.10004	167044.0

COMPOUND_NAME: Benalaxyl
SCANNUMBER: 7850
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C20H23NO3
INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N
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
RETENTION_TIME: 7.079875
PRECURSOR_MZ: 326.1756
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 8
91.05441	11560916.0
105.0702	367839.0
106.06546	647312.0
120.081	385637.0
121.08883	11501126.0
122.09673	517871.0
133.08878	546024.0
148.11217	23207426.0

COMPOUND_NAME: Boscalid
SCANNUMBER: 6328
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C18H12N2OCl2
INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
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
RETENTION_TIME: 6.811709
PRECURSOR_MZ: 343.0408
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 27
96.04461	588528.0
111.99506	131288.0
112.03961	562594.0
114.01087	183518.0
130.00558	256565.0
139.99011	1220289.0
152.06248	66998.0
216.08105	60699.0
227.07349	93814.0
228.08148	96430.0
229.08876	93365.0
230.03716	77307.0
238.04195	58994.0
242.08464	181011.0
243.09259	680474.0
244.09969	317520.0
253.07672	424600.0
254.08458	657164.0
264.05807	118437.0
270.07944	187992.0
271.08762	5868577.0
272.09424	5476461.0
279.0686	68522.0
289.05276	1245064.0
305.04871	107573.0
306.05643	72921.0
307.06335	2958245.0

COMPOUND_NAME: Carbetamide
SCANNUMBER: 2756
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H16N2O3
INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N
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
RETENTION_TIME: 3.923062
PRECURSOR_MZ: 237.1238
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 12
85.07622	86855.0
100.07591	86451.0
118.08654	1614784.0
120.04464	757563.0
126.01047	99599.0
138.05496	54640.0
144.06567	88684.0
164.0705	45687.0
192.0659	2143350.0
237.07993	102575.0
237.09068	314588.0
237.12401	187935.0

COMPOUND_NAME: Carfentrazone ethyl
SCANNUMBER: 6914
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H14N3O3Cl2F3
INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N
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
RETENTION_TIME: 6.898515
PRECURSOR_MZ: 412.045
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 75
87.03558	102938.0
92.03108	108928.0
140.99028	93612.0
168.00159	290200.0
168.98535	256214.0
169.00954	280404.0
169.99326	139258.0
176.0387	59605.0
176.96758	2472383.0
183.0123	267100.0
183.99632	81664.0
186.01216	91455.0
194.98845	136592.0
195.99637	326492.0
197.00471	52605.0
201.9623	154634.0
203.97847	447264.0
204.96245	1832179.0
206.02895	92544.0
207.03662	171674.0
209.02803	384802.0
209.99982	113563.0
211.00719	472507.0
212.01517	66934.0
213.00288	312895.0
214.01096	51013.0
215.02534	55407.0
220.9915	95557.0
221.97609	58129.0
222.00006	181469.0
223.00748	74723.0
223.9912	1241221.0
226.03568	99992.0
227.98999	56867.0
228.9734	154659.0
228.99759	849754.0
229.9576	291454.0
230.96507	364210.0
231.97353	309882.0
232.98094	634253.0
233.00957	190835.0
233.99303	64478.0
236.01566	50291.0
239.00291	79639.0
240.99757	4112806.0
242.00581	1279056.0
246.98367	100821.0
248.98016	83634.0
248.9865	48588.0
249.9944	112801.0
251.02658	84213.0
252.03403	720952.0
256.96869	464576.0
257.95212	120792.0
258.96021	600062.0
261.00433	486923.0
268.00449	56951.0
268.99277	70677.0
270.00082	107703.0
270.98462	439596.0
274.97897	367619.0
276.97476	4577284.0
280.02945	127558.0
282.0246	396042.0
284.96323	117220.0
288.01102	1894072.0
290.03122	319337.0
298.97946	85527.0
302.03137	2921622.0
303.0383	181158.0
316.00662	372285.0
318.00153	484008.0
320.04153	58056.0
338.00775	410316.0
345.99677	2618042.0

COMPOUND_NAME: Chlorantraniliprole
SCANNUMBER: 5260
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C18H14N5O2BrCl2
INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N
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
RETENTION_TIME: 6.589343
PRECURSOR_MZ: 481.9785
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
283.92297	5735542.0
450.93774	4907420.0
463.96796	71876.0
481.97949	1501231.0

COMPOUND_NAME: Clofentezine
SCANNUMBER: 9818
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H8N4Cl2
INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N
SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
RETENTION_TIME: 7.397017
PRECURSOR_MZ: 303.0207
ADDUCT: [M+H]+
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

COMPOUND_NAME: Cyprodinil
SCANNUMBER: 5584
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H15N3
INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N
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
RETENTION_TIME: 6.669806
PRECURSOR_MZ: 226.1346
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 68
89.03882	250501.0
91.05441	2917894.0
92.0498	1832571.0
92.06236	327913.0
93.0575	7935048.0
94.06544	551055.0
95.04928	1106686.0
104.04984	578815.0
105.04505	751939.0
106.06546	3348979.0
107.07314	366893.0
108.06842	996581.0
108.08108	5293585.0
109.0761	435067.0
110.06014	373109.0
115.0543	340655.0
116.0497	1136768.0
117.0574	936588.0
118.05279	3491518.0
118.06519	1243941.0
119.06059	3591314.0
123.09197	364628.0
124.07606	563904.0
130.06528	192669.0
131.06062	1377516.0
132.06825	1932161.0
133.07642	3211678.0
134.06033	753709.0
142.06525	584454.0
143.06068	1778669.0
143.07307	279220.0
144.05594	191195.0
144.08099	2104332.0
145.07616	882365.0
149.07127	251299.0
156.06825	169085.0
157.0762	329957.0
158.0838	181590.0
159.09198	963940.0
165.06998	303199.0
167.06058	287846.0
167.07332	1087973.0
168.06824	523675.0
168.08109	896186.0
169.07619	575896.0
170.0843	204211.0
171.09184	238779.0
181.07629	410526.0
182.08427	540213.0
182.09682	243307.0
183.07944	619682.0
183.09206	583441.0
184.08746	1461784.0
185.10789	904319.0
191.07323	180652.0
193.07642	1237200.0
194.08405	2240403.0
196.08698	270421.0
197.09528	430359.0
198.10313	664506.0
199.11044	212040.0
207.0918	1191559.0
208.10004	666594.0
209.10754	1644491.0
210.10275	4134248.0
211.11086	699261.0
224.1181	912227.0
226.13422	16374867.0

COMPOUND_NAME: Cyromazine_1
SCANNUMBER: 614
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C6H10N6
INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
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
RETENTION_TIME: 0.7250975
PRECURSOR_MZ: 167.1043
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 9
85.05116	569181.0
108.05576	364390.0
110.0462	49797.0
125.08251	178192.0
127.07288	24861.0
139.07271	33973.0
150.0777	7345.0
151.07292	35146.0
167.10403	54669.0

COMPOUND_NAME: Cyromazine_2
SCANNUMBER: 946
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C6H10N6
INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
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
RETENTION_TIME: 1.057777
PRECURSOR_MZ: 167.1043
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 12
85.05095	323769.0
100.08693	5287.0
108.05576	223896.0
110.0462	30873.0
112.06189	4105.0
125.08213	95867.0
127.07288	11228.0
139.07271	22781.0
150.0777	3986.0
151.07292	16833.0
155.01868	3272.0
167.10403	33800.0

COMPOUND_NAME: Dimoxystrobin
SCANNUMBER: 7508
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C19H22N2O3
INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N
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
RETENTION_TIME: 7.042906
PRECURSOR_MZ: 327.1716
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 25
89.03882	267042.0
91.05465	1177860.0
92.05786	587003.0
106.06546	63219.0
116.0497	4287725.0
117.0574	207058.0
118.06553	62777.0
121.06523	72575.0
121.08883	992075.0
122.09238	613096.0
134.06033	559976.0
135.08092	79495.0
148.07639	58182.0
148.11266	1671042.0
149.10986	53924.0
149.11572	1649040.0
178.0778	129475.0
180.08119	207313.0
193.10162	104706.0
194.09711	110382.0
195.10469	223024.0
221.09647	105352.0
222.09152	46935.0
222.10396	66419.0
223.09956	719508.0

COMPOUND_NAME: Fenazaquin
SCANNUMBER: 11226
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C20H22N2O
INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
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
RETENTION_TIME: 7.977267
PRECURSOR_MZ: 307.1813
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 14
91.05441	199112.0
103.05439	73599.0
104.04984	64148.0
105.0702	917430.0
117.06997	181158.0
119.0857	712865.0
121.10135	76811.0
130.02905	143777.0
131.08598	2116571.0
133.10155	485868.0
145.10149	85536.0
146.10915	4833104.0
147.05551	4215618.0
161.13255	3701806.0

COMPOUND_NAME: Fenhexamid
SCANNUMBER: 5614
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H17NO2Cl2
INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
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
RETENTION_TIME: 6.679342
PRECURSOR_MZ: 302.0717
ADDUCT: [M+H]+
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

COMPOUND_NAME: Fenpyroximate
SCANNUMBER: 10879
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C24H27N3O4
INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N
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
RETENTION_TIME: 7.825895
PRECURSOR_MZ: 422.2081
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 90
91.04206	117996.0
91.05465	106024.0
92.0498	87696.0
93.05774	260654.0
94.04169	108699.0
95.04953	62385.0
95.06073	350683.0
96.06861	923552.0
104.04984	232471.0
106.06546	218843.0
107.02439	77423.0
107.04966	430579.0
109.04004	148437.0
110.0716	266167.0
111.05566	267693.0
112.06348	143921.0
113.07121	165810.0
117.05774	475621.0
118.06553	207059.0
121.0638	98676.0
121.07632	211577.0
122.07175	1015735.0
123.05569	588803.0
124.05084	136544.0
129.05762	234973.0
130.06567	646047.0
131.06102	64470.0
131.07352	162979.0
132.04504	124496.0
132.06866	204911.0
135.04469	1656891.0
136.05099	82782.0
137.05911	95506.0
138.06671	5569473.0
139.0507	103856.0
141.05769	86459.0
142.05298	63910.0
142.0657	196862.0
143.06068	233150.0
143.07355	214610.0
144.0448	925002.0
144.06847	64229.0
144.08099	258802.0
145.0527	116335.0
145.06537	86828.0
145.07661	796518.0
146.06033	143788.0
146.08401	227348.0
155.04976	327910.0
155.06065	279544.0
156.06877	75745.0
157.05295	67758.0
157.0614	631707.0
157.0762	440265.0
158.06033	63862.0
158.08434	1135306.0
159.06828	1092296.0
159.09198	191557.0
160.07613	68662.0
169.07677	248853.0
170.06049	475510.0
170.0843	65958.0
171.05582	124587.0
171.09184	186652.0
172.07626	63322.0
172.08717	90299.0
173.07166	613565.0
174.07939	186701.0
174.10281	124566.0
183.0555	60224.0
185.0714	282332.0
186.05576	83272.0
186.10275	837404.0
187.08711	307005.0
187.11115	179545.0
188.08208	68182.0
188.09454	56664.0
189.10245	172485.0
197.0715	161124.0
198.07919	265419.0
199.07426	148687.0
199.08707	368116.0
200.08215	638373.0
201.10309	239504.0
202.09793	790032.0
214.09836	4878472.0
215.10576	1548726.0
230.09335	285190.0
231.10078	772223.0
366.14682	271014.0

COMPOUND_NAME: Flonicamid
SCANNUMBER: 1609
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H6N3OF3
INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N
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
RETENTION_TIME: 1.603478
PRECURSOR_MZ: 230.054
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 22
98.04052	1513015.0
101.01998	130358.0
126.03515	270418.0
128.0309	1130827.0
129.03873	894240.0
134.04785	187862.0
135.03584	106359.0
136.04333	85854.0
140.03102	72212.0
144.02579	576288.0
146.02148	1739781.0
147.02966	723489.0
148.03722	5717933.0
153.04604	178370.0
155.04199	750642.0
156.02586	62411.0
164.03217	431199.0
174.01654	1374723.0
175.0481	152887.0
176.0318	1685318.0
183.0369	1014810.0
203.04269	761411.0

COMPOUND_NAME: Fluoxastrobin
SCANNUMBER: 7721
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C21H16N4O5ClF
INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N
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
RETENTION_TIME: 7.061409
PRECURSOR_MZ: 459.0882
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 85
90.03426	262008.0
93.0339	81235.0
95.04953	126363.0
104.04984	132927.0
105.04505	96553.0
106.02911	119639.0
111.04436	132213.0
118.05279	109270.0
119.03689	143696.0
120.04464	501451.0
122.04026	150489.0
129.01041	330269.0
129.04503	292390.0
130.02905	326516.0
130.04021	649052.0
132.04463	118853.0
134.04034	93930.0
138.011	2207225.0
138.99483	184424.0
139.00627	992155.0
144.03229	102927.0
145.04005	956703.0
150.03526	1178492.0
151.00616	106379.0
154.04019	85122.0
157.04028	88434.0
159.036	96008.0
160.02722	141264.0
160.04352	103289.0
161.03488	323066.0
162.03548	140596.0
162.04268	203634.0
162.0554	114359.0
163.00633	194952.0
163.05046	168483.0
164.03441	768408.0
168.00159	464518.0
170.03549	190735.0
175.03069	390492.0
176.0387	156295.0
178.02998	1064297.0
179.00104	397625.0
183.99632	171687.0
188.03847	7591765.0
188.05785	92062.0
189.04591	91704.0
190.04181	129380.0
191.02574	180590.0
202.04166	121581.0
205.04123	347646.0
205.06093	241613.0
214.00674	231209.0
214.0412	97985.0
216.05721	78878.0
218.03612	98376.0
223.00748	102872.0
223.9912	115573.0
225.05933	90781.0
228.04449	112509.0
229.02827	136264.0
230.03622	724472.0
240.04454	142077.0
241.05283	128789.0
244.05261	88750.0
246.0312	274116.0
251.06181	83031.0
252.06947	77596.0
255.03178	103007.0
257.04721	91609.0
266.01273	226670.0
274.06223	117152.0
277.06509	115503.0
278.07285	221625.0
279.05734	137186.0
280.06467	243149.0
304.0531	127719.0
306.0679	3047910.0
313.04251	87383.0
315.03339	303129.0
318.06851	266951.0
331.0636	304000.0
340.02972	444209.0
342.04449	118004.0
367.03973	216560.0
383.03424	104628.0

COMPOUND_NAME: Flutolanil
SCANNUMBER: 3979
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H16NO2F3
INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
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
RETENTION_TIME: 6.193638
PRECURSOR_MZ: 324.1214
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 12
111.04436	4020810.0
121.03985	3392917.0
130.02905	2402830.0
145.02599	877135.0
166.06538	168609.0
173.02094	3306207.0
194.0601	203214.0
214.06641	383897.0
222.05511	217155.0
242.05533	161728.0
242.06139	15929322.0
262.06796	878870.0

COMPOUND_NAME: Furalaxyl
SCANNUMBER: 3970
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H19NO4
INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N
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
RETENTION_TIME: 6.193638
PRECURSOR_MZ: 302.1392
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 1
95.01299	22120298.0

COMPOUND_NAME: Imazalil
SCANNUMBER: 2732
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H14N2OCl2
INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N
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
RETENTION_TIME: 3.913752
PRECURSOR_MZ: 297.0566
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 17
102.04659	83349.0
109.0761	370634.0
122.99966	169161.0
129.07021	173674.0
137.01562	175055.0
138.02319	151710.0
141.0703	676682.0
149.01559	103927.0
150.02344	201572.0
158.97626	8128112.0
164.03893	173925.0
172.99223	1736974.0
175.03131	122074.0
176.0387	901695.0
186.97179	139839.0
200.98682	142186.0
255.00883	411510.0

COMPOUND_NAME: Imidacloprid
SCANNUMBER: 2109
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H10N5O2Cl
INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N
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
RETENTION_TIME: 3.079668
PRECURSOR_MZ: 256.0602
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 36
99.05553	45726.0
105.04505	49039.0
106.06546	54345.0
107.06065	64812.0
113.00283	42520.0
119.04804	44604.0
119.06059	69901.0
120.05593	48869.0
126.01085	269914.0
127.01869	53555.0
128.02625	263416.0
131.06062	65155.0
132.05562	39478.0
133.06364	158210.0
133.076	126641.0
134.07159	138270.0
141.02173	133666.0
146.05891	66316.0
146.0717	317182.0
147.06651	418911.0
148.08702	165957.0
158.07153	211685.0
159.06667	39062.0
159.07906	265140.0
166.01717	43422.0
167.03738	137027.0
173.08266	507123.0
174.09048	481291.0
175.09782	2784924.0
180.03256	49532.0
181.02791	160573.0
191.09306	100802.0
194.04849	73037.0
208.05171	91411.0
209.05724	1316587.0
209.05885	3531093.0

COMPOUND_NAME: Mandipropamid
SCANNUMBER: 7168
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C23H22NO4Cl
INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N
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
RETENTION_TIME: 6.964275
PRECURSOR_MZ: 412.1314
ADDUCT: [M+H]+
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

COMPOUND_NAME: Mepanipyrim
SCANNUMBER: 7089
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H13N3
INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N
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
RETENTION_TIME: 6.936112
PRECURSOR_MZ: 224.1185
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 102
89.03882	517274.0
90.03403	2492239.0
91.04182	279822.0
91.05441	689902.0
92.0498	1156467.0
93.0575	1581720.0
94.04169	907699.0
94.06544	4247548.0
95.04928	7648441.0
96.04461	836099.0
104.04984	9863130.0
105.04505	4799141.0
105.05748	280682.0
106.05285	481449.0
106.06546	21345988.0
107.06065	1636304.0
107.07314	792818.0
115.05464	3041902.0
116.0497	1214108.0
117.0574	623912.0
118.05279	352181.0
118.06553	2089902.0
119.06059	6016274.0
121.07632	4716914.0
122.06017	546355.0
124.07606	570495.0
128.04958	351035.0
128.06239	268794.0
129.04503	342815.0
129.05762	223642.0
129.07021	809903.0
130.04021	505143.0
130.05293	226615.0
130.06528	631733.0
131.06062	6745162.0
132.06825	1922003.0
139.05466	759207.0
139.08679	888214.0
140.0497	2660486.0
141.05769	432867.0
142.06525	4535240.0
143.06068	6551342.0
143.07307	827696.0
146.06033	239932.0
146.0717	582762.0
147.07945	1981982.0
149.07127	472905.0
152.06248	907036.0
153.06992	747588.0
154.06532	634466.0
155.06065	477098.0
156.06825	343240.0
156.08081	938982.0
157.0762	689823.0
157.08888	215289.0
158.08434	241364.0
159.09198	967686.0
160.07613	1334605.0
165.05745	274138.0
166.06538	1659086.0
167.06058	783829.0
167.07332	1978108.0
168.06824	5290008.0
168.08109	220063.0
169.06438	286507.0
169.07619	592750.0
170.0968	225887.0
178.06569	490619.0
179.06082	272597.0
179.07304	1573880.0
180.08119	4503916.0
181.07629	4276790.0
181.08871	558180.0
182.08427	8178091.0
182.09682	299282.0
183.07944	1118528.0
183.09206	3652070.0
184.08746	3084619.0
184.09952	366883.0
185.0714	378043.0
190.06572	671329.0
191.06046	256444.0
191.07323	287427.0
192.06876	5238670.0
193.07642	340761.0
194.0717	335171.0
194.08405	455850.0
195.09225	1664615.0
196.0995	1003846.0
197.09528	319437.0
197.10789	734438.0
205.07669	7605397.0
206.08452	12079029.0
207.0798	627312.0
207.0918	5892684.0
208.08714	6327165.0
208.09923	895713.0
209.09537	7619410.0
221.09558	532629.0
222.10307	5281894.0
223.11121	2054946.0
224.119	13923746.0

COMPOUND_NAME: Dinotefuran
SCANNUMBER: 1471
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C7H14N4O3
INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N
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
RETENTION_TIME: 1.502809
PRECURSOR_MZ: 203.1141
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 13
87.07939	212770.0
100.0872	147065.0
101.09495	14292.0
112.08705	103076.0
113.09509	522233.0
114.10273	536607.0
127.11057	50518.0
128.11842	69200.0
129.08989	1106553.0
129.12611	128089.0
157.12112	345152.0
173.11627	46987.0
203.11415	399504.0

COMPOUND_NAME: Metaflumizone
SCANNUMBER: 8648
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C24H16N4O2F6
INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
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
RETENTION_TIME: 7.19479
PRECURSOR_MZ: 507.1251
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 33
89.03882	112603.0
92.0498	159120.0
93.0575	96261.0
110.06045	137716.0
116.0497	2188022.0
128.04958	82526.0
159.04192	72170.0
171.04201	111513.0
174.05289	67561.0
176.03242	127986.0
177.04025	145377.0
178.04784	4081576.0
190.065	44917.0
191.07323	105042.0
204.02695	55744.0
218.08452	1276107.0
219.09236	53088.0
220.05638	42611.0
221.05324	329863.0
233.05731	59799.0
238.06659	64784.0
240.06252	447032.0
245.07082	222043.0
247.06392	273902.0
247.06705	1414469.0
260.0687	348712.0
267.07318	2569566.0
273.06406	84541.0
273.07617	78440.0
286.07156	143270.0
287.07932	2154516.0
288.0871	575359.0
330.08609	207585.0

COMPOUND_NAME: Metalaxyl
SCANNUMBER: 3592
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H21NO4
INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N
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
RETENTION_TIME: 5.550616
PRECURSOR_MZ: 280.1547
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 24
91.05441	81742.0
105.06991	446715.0
117.0574	85397.0
118.06519	181419.0
119.0857	203031.0
120.081	86040.0
121.08883	168662.0
130.06528	459915.0
131.0731	294735.0
132.08089	1629425.0
133.08878	1053467.0
134.09659	2186175.0
144.08099	390383.0
145.08881	2412390.0
146.09682	729220.0
147.10434	123350.0
148.11217	2255058.0
150.09151	223495.0
158.0966	105904.0
160.11201	8036024.0
162.12798	1800051.0
164.10716	139534.0
192.13879	614235.0
220.13348	136200.0

COMPOUND_NAME: Myclobutanil
SCANNUMBER: 4181
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H17N4Cl
INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N
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
RETENTION_TIME: 6.259462
PRECURSOR_MZ: 289.1221
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 18
89.03882	46919.0
98.99973	29039.0
115.05431	84807.0
116.06212	93918.0
125.01308	47666.0
125.01533	2894088.0
128.04958	45144.0
130.06528	66651.0
137.01562	42490.0
149.01559	47429.0
150.0106	90969.0
151.03107	531808.0
153.06992	32172.0
164.02652	222253.0
166.04185	38601.0
168.09337	31175.0
175.03131	41390.0
178.04208	93247.0

COMPOUND_NAME: Oxadixyl
SCANNUMBER: 3029
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H18N2O4
INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
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
RETENTION_TIME: 4.402048
PRECURSOR_MZ: 279.1344
ADDUCT: [M+H]+
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

COMPOUND_NAME: Prochloraz
SCANNUMBER: 7968
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H16N3O2Cl3
INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N
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
RETENTION_TIME: 7.089308
PRECURSOR_MZ: 376.0388
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 3
265.95453	2776909.0
308.00125	53942956.0
376.03964	3704219.0

COMPOUND_NAME: Prometon_1
SCANNUMBER: 2214
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
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
RETENTION_TIME: 3.185351
PRECURSOR_MZ: 226.1667
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 16
85.05116	254026.0
85.07622	1248785.0
86.03511	7693232.0
96.05572	2045746.0
97.03974	2776563.0
99.06665	1175450.0
100.05066	9824308.0
110.04619	496522.0
110.0716	223643.0
114.06643	4195590.0
128.08185	3094754.0
138.07761	783556.0
142.07253	19868644.0
168.0881	278497.0
170.10394	12296676.0
184.11964	1858746.0

COMPOUND_NAME: Prometon_2
SCANNUMBER: 2376
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
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
RETENTION_TIME: 3.288845
PRECURSOR_MZ: 226.1663
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 22
85.05116	203704.0
85.07622	1795800.0
86.03511	4360152.0
96.05572	3992152.0
97.03974	3296917.0
99.06665	489124.0
100.05066	11922340.0
110.04619	311190.0
110.0716	143123.0
113.0825	152844.0
114.06643	5615716.0
125.0461	170765.0
127.09787	169642.0
128.08185	4145137.0
129.0112	167032.0
138.07761	953215.0
142.07253	8482599.0
153.07755	208846.0
168.0881	343548.0
170.10394	12923365.0
184.11964	137608.0
226.16615	243943.0

COMPOUND_NAME: Pymetrozine
SCANNUMBER: 1328
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H11N5O
INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N
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
RETENTION_TIME: 1.373368
PRECURSOR_MZ: 218.1044
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 2
96.04461	383408.0
105.04506	15166273.0

COMPOUND_NAME: Pyracarbolid
SCANNUMBER: 3243
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C13H15NO2
INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
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
RETENTION_TIME: 4.72542
PRECURSOR_MZ: 218.1182
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 8
92.04956	222486.0
95.04928	559755.0
97.02871	2882447.0
97.06489	514552.0
105.04477	279492.0
107.04936	2653095.0
115.03907	949155.0
125.05998	14590636.0

COMPOUND_NAME: Pyrimethanil
SCANNUMBER: 3684
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H13N3
INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
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
RETENTION_TIME: 5.598423
PRECURSOR_MZ: 200.1186
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 43
91.05441	269141.0
92.0498	1006183.0
93.0575	798806.0
95.04928	864623.0
105.04505	538940.0
107.06065	6806452.0
115.05464	651194.0
116.0497	189558.0
117.0574	297627.0
118.05279	470418.0
118.06519	941436.0
119.06059	1862863.0
125.07124	2658422.0
129.07021	373721.0
131.06062	510426.0
132.08089	163131.0
139.05466	180641.0
140.0497	332716.0
141.05769	348146.0
142.06525	1271766.0
143.06068	2584610.0
143.07307	643411.0
154.06532	150404.0
155.06065	150810.0
156.06825	358067.0
156.08081	843618.0
158.08434	235445.0
158.0966	250403.0
159.09198	1057014.0
166.06538	692025.0
167.07332	885398.0
168.06824	6869380.0
173.10771	334158.0
173.50755	193551.0
181.07629	2021052.0
182.08163	471666.0
182.08427	7602030.0
183.09206	8147444.0
184.08679	232595.0
185.09505	609372.0
198.10313	499158.0
199.11044	154902.0
200.11862	13352280.0

COMPOUND_NAME: Pyriproxyfen
SCANNUMBER: 10159
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C20H19NO3
INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N
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
RETENTION_TIME: 7.483148
PRECURSOR_MZ: 322.1441
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 21
91.05465	1995486.0
95.04953	2794273.0
96.04461	57722984.0
105.04505	1487815.0
105.0702	2138528.0
115.05464	2166874.0
119.04944	13154060.0
128.06239	2789226.0
129.07021	18069414.0
133.06531	2250340.0
134.07285	5007071.0
141.07028	4802710.0
153.07043	578116.0
155.06065	601649.0
157.06509	3489445.0
170.07298	834102.0
181.06517	682957.0
185.05991	13867037.0
186.06801	602621.0
194.07315	653455.0
199.07576	804230.0

COMPOUND_NAME: Mepronil
SCANNUMBER: 5448
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H19NO2
INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
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
RETENTION_TIME: 6.63015
PRECURSOR_MZ: 270.1492
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 8
91.05465	4818532.0
107.04936	268915.0
108.0449	232011.0
109.0651	1528311.0
111.04436	177960.0
119.04979	16405699.0
119.0592	353581.0
136.03949	166339.0

COMPOUND_NAME: Spiroxamine_2
SCANNUMBER: 3190
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C18H35NO2
INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
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
RETENTION_TIME: 4.628222
PRECURSOR_MZ: 298.2747
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
100.11219	10585697.0
102.09142	415934.0
126.12786	286929.0
144.13857	10367585.0

COMPOUND_NAME: Tebufenpyrad
SCANNUMBER: 8797
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C18H24N3OCl
INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
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
RETENTION_TIME: 7.223254
PRECURSOR_MZ: 334.1692
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 17
90.01088	682936.0
91.05441	694638.0
105.0702	2926113.0
107.08593	482744.0
117.02172	17275010.0
117.06997	1213127.0
119.0857	4335492.0
130.02946	271510.0
131.08559	179894.0
132.09351	4494128.0
145.05318	15327344.0
145.10149	224176.0
147.11679	8812113.0
171.03239	1499108.0
188.05853	456215.0
200.05861	396435.0
334.16821	933979.0

COMPOUND_NAME: Terbumeton_1
SCANNUMBER: 2214
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
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
RETENTION_TIME: 3.185351
PRECURSOR_MZ: 226.1667
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 16
85.05116	254026.0
85.07622	1248785.0
86.03511	7693232.0
96.05572	2045746.0
97.03974	2776563.0
99.06665	1175450.0
100.05066	9824308.0
110.04619	496522.0
110.0716	223643.0
114.06643	4195590.0
128.08185	3094754.0
138.07761	783556.0
142.07253	19868644.0
168.0881	278497.0
170.10394	12296676.0
184.11964	1858746.0

COMPOUND_NAME: Terbumeton_2
SCANNUMBER: 2376
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
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
RETENTION_TIME: 3.288845
PRECURSOR_MZ: 226.1663
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 22
85.05116	203704.0
85.07622	1795800.0
86.03511	4360152.0
96.05572	3992152.0
97.03974	3296917.0
99.06665	489124.0
100.05066	11922340.0
110.04619	311190.0
110.0716	143123.0
113.0825	152844.0
114.06643	5615716.0
125.0461	170765.0
127.09787	169642.0
128.08185	4145137.0
129.0112	167032.0
138.07761	953215.0
142.07253	8482599.0
153.07755	208846.0
168.0881	343548.0
170.10394	12923365.0
184.11964	137608.0
226.16615	243943.0

COMPOUND_NAME: Triadimefon
SCANNUMBER: 4753
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H16N3O2Cl
INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N
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
RETENTION_TIME: 6.495691
PRECURSOR_MZ: 294.101
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 34
91.05441	220380.0
93.03366	110759.0
94.04145	226678.0
95.04928	293143.0
98.99973	2161492.0
103.03109	47635.0
105.04505	158971.0
107.04936	77343.0
109.0651	56624.0
110.03504	91263.0
110.99978	78358.0
111.04436	239293.0
113.0154	1133437.0
119.04944	129126.0
119.06059	60561.0
120.05734	170448.0
121.03985	123630.0
125.01533	88037.0
126.99488	4331208.0
127.03099	234800.0
129.01041	2984985.0
133.10155	53571.0
137.01562	52817.0
139.00583	1903109.0
141.0105	4051184.0
146.07265	75724.0
147.08089	154110.0
155.02592	1609516.0
159.02092	270169.0
161.09631	105167.0
173.50877	58953.0
175.07544	124355.0
190.09877	46793.0
197.073	124633.0

COMPOUND_NAME: Trifloxystrobin
SCANNUMBER: 8085
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C20H19N2O4F3
INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
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
RETENTION_TIME: 7.117416
PRECURSOR_MZ: 409.1378
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 20
89.03905	311273.0
91.05465	552137.0
105.07049	281496.0
116.05004	3644672.0
117.05774	1059431.0
118.06553	996646.0
119.04944	261371.0
130.06567	752094.0
131.07352	3968814.0
132.04504	549533.0
132.08128	1313192.0
134.06033	476020.0
145.02644	9201794.0
146.06033	1786913.0
147.06844	435652.0
161.0475	625467.0
163.03706	449951.0
173.03255	3885334.0
186.05302	16153518.0
206.08214	362046.0

COMPOUND_NAME: Zoxamide
SCANNUMBER: 7511
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H16Cl3NO2
INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N
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
RETENTION_TIME: 7.042906
PRECURSOR_MZ: 336.0327
ADDUCT: [M+H]+
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

COMPOUND_NAME: Quinoxyfen
SCANNUMBER: 10658
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H8NOCl2F
INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
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
RETENTION_TIME: 7.693292
PRECURSOR_MZ: 308.0046
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 28
113.04024	951160.0
123.00003	519051.0
123.03591	2234640.0
133.05254	505534.0
150.01109	1173838.0
162.01112	4388227.0
168.02145	1536952.0
178.01723	957090.0
183.97221	586345.0
184.97952	1042789.0
196.98022	34758736.0
209.06372	991608.0
210.0717	743797.0
212.97452	543051.0
213.98238	16892596.0
217.02182	350576.0
219.02536	368183.0
225.03487	908834.0
237.05934	2476225.0
238.06659	390133.0
244.03317	3467599.0
245.04095	5069296.0
253.02917	653474.0
254.03786	417640.0
272.02798	14312807.0
280.00934	1380984.0
287.99789	1053238.0
308.00415	16622164.0

COMPOUND_NAME: Rotenone
SCANNUMBER: 10564
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C23H22O6
INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N
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
RETENTION_TIME: 7.674882
PRECURSOR_MZ: 395.1498
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 118
91.05441	20240.0
94.04169	8976.0
95.04953	15733.0
96.05724	5644.0
103.05439	9409.0
105.04505	12948.0
105.0702	18947.0
107.04936	14407.0
108.05726	28276.0
109.0651	27746.0
115.05464	7748.0
118.04178	6690.0
119.04944	11358.0
119.0857	16350.0
121.06523	31422.0
122.03665	11422.0
123.04434	5563.0
124.05232	66924.0
125.05998	10770.0
128.06239	12472.0
129.07021	21798.0
131.04935	9618.0
132.05725	6374.0
133.02864	9569.0
133.06488	59218.0
135.04427	48791.0
135.08092	12734.0
136.05228	31669.0
137.05997	22461.0
139.07579	190263.0
141.07028	6275.0
142.07797	14608.0
143.08594	13615.0
144.05733	5067.0
145.0649	8486.0
147.04451	61525.0
147.08089	94625.0
148.0522	39063.0
149.02341	19610.0
149.06003	21143.0
150.06783	16274.0
151.03905	10391.0
151.07541	203001.0
152.04688	7942.0
152.06248	13044.0
153.05467	9160.0
155.0705	50109.0
155.08604	5247.0
157.06509	11481.0
157.10156	7250.0
159.0446	58047.0
160.05222	12860.0
161.02338	80194.0
161.0601	108267.0
161.09631	10911.0
162.0676	99660.0
163.03929	24087.0
163.07561	12092.0
164.04738	8000.0
165.05518	11042.0
165.06599	31937.0
165.09103	67666.0
167.03391	16070.0
167.07042	68033.0
167.08607	14650.0
169.06497	20549.0
170.07298	47466.0
171.0444	8000.0
171.08104	35499.0
173.06004	17137.0
174.06767	6932.0
175.03938	17059.0
175.07544	21766.0
176.04684	21189.0
177.05479	232262.0
178.05867	5911.0
178.0625	25475.0
179.07047	162479.0
181.04948	12121.0
183.08076	4979.0
185.05991	48654.0
185.09641	26209.0
187.03905	10827.0
188.04747	5292.0
189.05499	13091.0
189.09126	53174.0
191.07039	460509.0
192.07661	134602.0
192.07805	420800.0
193.04977	5384.0
193.0865	52606.0
195.08057	343831.0
197.05963	10859.0
198.06796	244073.0
199.07576	11375.0
201.09085	5454.0
203.07065	271508.0
205.0499	11121.0
211.07547	11767.0
213.05545	8031.0
213.09134	496635.0
219.06538	18652.0
220.07301	15899.0
223.07542	20667.0
226.06303	9493.0
229.08595	8069.0
241.08595	34858.0
309.07611	9652.0
319.09708	7916.0
321.11215	19786.0
331.09756	10399.0
333.11328	6140.0
334.08463	6723.0
335.12769	6532.0
337.1073	11225.0
347.091	7782.0
349.10764	9303.0
377.13797	5836.0

COMPOUND_NAME: Secbumeton_1
SCANNUMBER: 2214
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
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
RETENTION_TIME: 3.185351
PRECURSOR_MZ: 226.1667
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 16
85.05116	254026.0
85.07622	1248785.0
86.03511	7693232.0
96.05572	2045746.0
97.03974	2776563.0
99.06665	1175450.0
100.05066	9824308.0
110.04619	496522.0
110.0716	223643.0
114.06643	4195590.0
128.08185	3094754.0
138.07761	783556.0
142.07253	19868644.0
168.0881	278497.0
170.10394	12296676.0
184.11964	1858746.0

COMPOUND_NAME: Secbumeton_2
SCANNUMBER: 2376
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5O
INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
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
RETENTION_TIME: 3.288845
PRECURSOR_MZ: 226.1663
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 22
85.05116	203704.0
85.07622	1795800.0
86.03511	4360152.0
96.05572	3992152.0
97.03974	3296917.0
99.06665	489124.0
100.05066	11922340.0
110.04619	311190.0
110.0716	143123.0
113.0825	152844.0
114.06643	5615716.0
125.0461	170765.0
127.09787	169642.0
128.08185	4145137.0
129.0112	167032.0
138.07761	953215.0
142.07253	8482599.0
153.07755	208846.0
168.0881	343548.0
170.10394	12923365.0
184.11964	137608.0
226.16615	243943.0

COMPOUND_NAME: Spiroxamine_1
SCANNUMBER: 3100
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C18H35NO2
INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
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
RETENTION_TIME: 4.508498
PRECURSOR_MZ: 298.2746
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
100.11219	3396827.0
102.09142	137060.0
126.12786	85740.0
144.13857	3215019.0

COMPOUND_NAME: Acibenzolar-S-methyl
SCANNUMBER: 6504
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C8H6N2OS2
INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
SMILES: CSC(=O)c1cccc2c1snn2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
RETENTION_TIME: 7.209623
PRECURSOR_MZ: 210.9997
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 19
90.96726	85952.0
91.05441	657143.0
95.04928	118440.0
96.00319	401311.0
104.02592	176500.0
105.04505	89136.0
106.99528	418903.0
108.00302	780675.0
109.0107	470651.0
111.02646	108320.0
121.01091	958564.0
122.01855	285730.0
134.99037	663158.0
135.99904	120240.0
136.00926	5947453.0
139.97499	2000969.0
152.98305	216362.0
167.97003	464522.0
210.99977	327401.0

COMPOUND_NAME: Bupirimate
SCANNUMBER: 3267
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C13H24N4O3S
INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
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
RETENTION_TIME: 6.076324
PRECURSOR_MZ: 317.1649
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 55
86.07153	235598.0
93.07003	108137.0
95.06072	255743.0
95.08585	244503.0
96.04461	1438629.0
96.08099	127976.0
97.03999	368735.0
98.06032	1406789.0
107.07314	137145.0
108.01175	7604676.0
109.0761	227922.0
110.06014	169356.0
110.0716	162792.0
110.09671	354193.0
120.081	147452.0
122.07138	411681.0
122.09673	123475.0
123.05569	195728.0
123.09197	115035.0
124.06344	181991.0
136.0872	149699.0
137.05867	120788.0
137.09485	160672.0
138.06628	1098460.0
138.09154	233604.0
138.10286	398553.0
139.07446	1057776.0
139.12334	148466.0
140.10709	5071826.0
148.08701	244501.0
150.10286	2737236.0
151.07442	131788.0
151.11079	210989.0
151.12326	149447.0
152.08211	600122.0
164.08234	442472.0
165.08989	1444691.0
165.10242	2298446.0
166.09755	10809536.0
167.10577	1006139.0
179.12965	335810.0
180.11362	538952.0
180.14995	435438.0
182.12912	1149384.0
191.11787	124435.0
192.14951	246681.0
193.13402	1395706.0
194.12903	1925937.0
208.14435	1874942.0
209.17653	127377.0
210.15997	6891096.0
224.17574	413548.0
237.20732	1204267.0
262.08615	349666.0
272.10626	143082.0

COMPOUND_NAME: Buprofezin
SCANNUMBER: 5627
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C16H23N3OS
INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
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
RETENTION_TIME: 7.028851
PRECURSOR_MZ: 306.1638
ADDUCT: [M+H]+
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

COMPOUND_NAME: Carboxin
SCANNUMBER: 2650
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H13NO2S
INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
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
RETENTION_TIME: 5.514598
PRECURSOR_MZ: 236.0745
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 21
86.99005	83162.0
89.00569	35962.0
92.0498	113299.0
93.0575	2928372.0
94.06519	52720.0
95.04928	67153.0
99.02643	59993.0
104.04956	151593.0
105.04476	45581.0
115.02152	31967.0
120.04463	57401.0
124.02155	960327.0
128.04956	63924.0
132.04463	580531.0
138.03711	35055.0
143.01614	2499380.0
146.06033	163428.0
148.02174	69210.0
162.03714	126130.0
165.02444	140508.0
166.03207	97516.0

COMPOUND_NAME: Clethodim_1
SCANNUMBER: 4128
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H26NO3ClS
INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
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
RETENTION_TIME: 6.687163
PRECURSOR_MZ: 360.1401
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 93
89.0422	26517.0
91.05441	49957.0
92.04956	6055.0
93.0575	11783.0
93.07003	33788.0
94.06519	21009.0
95.04928	65958.0
95.0856	11343.0
96.04461	77264.0
98.06032	83926.0
103.05439	27407.0
105.04505	6981.0
105.07019	30263.0
106.06516	86354.0
107.04936	34964.0
107.08563	8621.0
108.0446	28107.0
108.08108	167346.0
109.0651	32723.0
110.06014	31720.0
110.09671	12453.0
111.04435	12775.0
111.06791	6651.0
114.05498	7671.0
114.0916	11353.0
115.0543	6778.0
117.05739	8001.0
117.06997	20495.0
118.06519	20951.0
119.04944	18911.0
119.06059	9053.0
119.0857	23128.0
120.04463	7579.0
120.081	8457.0
121.06487	56724.0
122.06016	65198.0
122.09673	13384.0
123.04433	7289.0
124.03934	5264.0
124.07605	20748.0
127.02138	23658.0
128.06201	5671.0
129.07021	5839.0
131.0731	6698.0
131.08559	5362.0
132.08089	18560.0
133.06488	10377.0
133.10155	8105.0
134.06033	147188.0
134.09659	13221.0
135.08049	8346.0
136.03949	70010.0
136.07568	371565.0
136.11234	9112.0
137.05997	23108.0
138.05496	9422.0
138.09154	20890.0
144.08099	5145.0
145.0649	6292.0
146.06033	26112.0
146.09634	7672.0
147.04402	77322.0
147.08089	12959.0
148.0759	20412.0
149.04733	5916.0
149.06003	102646.0
150.05499	6525.0
150.09151	15556.0
150.12804	6161.0
152.07053	18217.0
158.04488	6800.0
160.07613	16467.0
160.11201	5212.0
161.0601	8950.0
161.09631	9597.0
162.0554	6952.0
162.0914	19731.0
163.06274	15231.0
164.07106	350022.0
164.10716	16374.0
166.08664	512799.0
166.12283	13211.0
167.09418	26398.0
173.50754	5344.0
178.08673	16500.0
178.12309	12987.0
180.08443	5978.0
180.10194	6844.0
190.1227	6425.0
192.10233	16067.0
206.11787	6696.0
212.11047	16431.0
240.10542	8682.0

COMPOUND_NAME: Clethodim_2
SCANNUMBER: 7016
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H26NO3ClS
INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
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
RETENTION_TIME: 7.277172
PRECURSOR_MZ: 360.1401
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 68
89.0422	98238.0
91.05464	171745.0
93.05774	38046.0
93.07027	136004.0
94.06543	101832.0
95.04953	227900.0
95.08585	40869.0
96.04461	221541.0
98.06032	529705.0
103.05467	131256.0
105.07019	127685.0
106.06545	53082.0
107.04936	136788.0
107.08593	34588.0
108.0446	65341.0
108.08108	867554.0
109.0651	107578.0
110.06044	125419.0
111.04435	54097.0
111.06822	33474.0
114.0916	70953.0
117.07031	92684.0
118.06553	57896.0
119.04944	77592.0
119.0857	101869.0
120.081	44118.0
121.06523	314215.0
122.06016	283363.0
122.09673	58647.0
124.07605	110151.0
127.02138	108658.0
133.10155	43604.0
134.06033	82368.0
134.09659	80374.0
135.08092	42793.0
136.07613	1946515.0
136.11234	44348.0
137.05997	112159.0
138.05539	37327.0
138.09154	107538.0
146.06033	140672.0
146.09682	35123.0
147.04449	448482.0
147.06795	32058.0
147.08089	54066.0
148.0759	90038.0
149.06003	660024.0
150.09151	33706.0
152.07103	119001.0
161.0601	46725.0
161.09631	40686.0
162.09196	88271.0
163.06331	31458.0
164.07106	2144695.0
164.10716	97593.0
166.08664	3133889.0
166.12283	98337.0
167.09418	133413.0
177.07883	31343.0
178.12309	80524.0
179.09425	38320.0
180.10194	39682.0
190.1227	42958.0
192.10233	115116.0
206.11787	45529.0
208.13387	37258.0
212.11047	103531.0
240.10542	87328.0

COMPOUND_NAME: Clothianidin
SCANNUMBER: 1358
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C6H8N5O2ClS
INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N
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
RETENTION_TIME: 2.767634
PRECURSOR_MZ: 250.0162
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 12
113.01702	68898.0
131.96729	1556136.0
146.97801	24619.0
168.04659	701063.0
169.05435	2394222.0
172.98125	33776.0
174.9729	46060.0
203.01552	30320.0
204.02304	121736.0
206.01546	199604.0
220.01871	34828.0
250.01668	782407.0

COMPOUND_NAME: Cyazofamid
SCANNUMBER: 4651
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C13H13N4O2ClS
INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
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
RETENTION_TIME: 6.824718
PRECURSOR_MZ: 325.0526
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 14
108.01175	7160721.0
216.03249	215458.0
217.0407	634975.0
218.0482	106134.0
225.11369	156877.0
226.12143	91884.0
233.06017	429313.0
251.07034	448093.0
251.10664	310661.0
261.09036	1553497.0
279.10236	522333.0
325.052	1817226.0
325.14325	121241.0
325.23611	85648.0

COMPOUND_NAME: Ethiprole
SCANNUMBER: 2873
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C13H9N4OCl2F3S
INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
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
RETENTION_TIME: 5.828761
PRECURSOR_MZ: 396.991
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 11
212.94865	522963.0
227.9595	466048.0
240.95441	720208.0
254.9706	13822754.0
263.97287	158454.0
271.93167	238242.0
288.95517	162603.0
288.96835	478467.0
315.97946	548987.0
323.93817	233169.0
350.94952	1933706.0

COMPOUND_NAME: Ethofumesate
SCANNUMBER: 3176
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C13H18O5S
INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N
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
RETENTION_TIME: 6.01901
PRECURSOR_MZ: 287.0957
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 10
121.06523	2086509.0
149.09618	158152.0
161.0601	278315.0
162.0676	51729.0
163.07561	321436.0
179.07047	102226.0
241.05281	803837.0
259.06424	3450423.0
277.07498	105295.0
287.09497	1000737.0

COMPOUND_NAME: Fenamidone
SCANNUMBER: 4022
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H17N3OS
INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
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
RETENTION_TIME: 6.626915
PRECURSOR_MZ: 312.1172
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 23
92.0498	32114948.0
103.05439	9639649.0
104.04984	654872.0
118.05279	339058.0
120.081	4707760.0
124.07605	564026.0
133.06364	333596.0
133.07642	2035568.0
134.07159	10042268.0
150.02492	4123380.0
158.07153	1565433.0
161.07108	557286.0
165.04834	2679578.0
170.09679	350930.0
194.09637	1767185.0
195.09152	465030.0
206.08372	504328.0
207.06779	429040.0
211.12321	535099.0
219.09235	850480.0
221.0947	1138537.0
236.11884	5452674.0
237.04855	688489.0

COMPOUND_NAME: Fipronil
SCANNUMBER: 3428
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H4N4OCl2F6S
INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
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
RETENTION_TIME: 6.367518
PRECURSOR_MZ: 436.9474
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 44
85.96982	4313.0
113.00444	3712.0
113.98832	5133.0
139.99144	7362.0
212.94781	4882.0
221.00912	225249.0
227.95949	26131.0
228.96689	57334.0
229.97443	5477.0
238.95135	20431.0
239.95872	31698.0
240.95441	5173.0
246.00426	38514.0
246.98785	4361.0
249.00337	20177.0
252.98164	49955.0
253.96179	34002.0
254.96948	369569.0
255.97771	5120.0
256.92007	8581.0
257.96988	6310.0
258.00436	15884.0
262.96518	141114.0
263.94986	4319.0
264.95398	10810.0
265.00839	13074.0
266.97012	5374.0
270.00439	13928.0
270.92358	71148.0
277.9621	52537.0
280.97632	110429.0
281.98138	13157.0
284.00772	9139.0
285.01489	32296.0
287.96118	3855.0
289.97687	181252.0
305.97165	38958.0
314.97189	30271.0
315.97946	17897.0
319.98468	18911.0
332.98279	23894.0
341.94772	7327.0
350.94775	6206.0
367.95102	6446.0

COMPOUND_NAME: Flufenacet
SCANNUMBER: 3663
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H13N3O2F4S
INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
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
RETENTION_TIME: 6.476889
PRECURSOR_MZ: 364.0744
ADDUCT: [M+H]+
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

COMPOUND_NAME: Hexythiazox
SCANNUMBER: 7986
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H21N2O2ClS
INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N
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
RETENTION_TIME: 7.46046
PRECURSOR_MZ: 353.1096
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 18
115.0543	1419536.0
116.06212	1728574.0
117.05739	141175.0
125.01533	77703.0
132.08089	464129.0
133.06488	142255.0
133.08878	1059309.0
140.04968	116606.0
141.05769	118308.0
143.06068	285902.0
151.03107	3098662.0
153.03435	252766.0
159.06828	444319.0
168.05769	6763262.0
176.02615	779438.0
194.03688	1165217.0
210.01369	101590.0
228.02509	203533.0

COMPOUND_NAME: Mefenacet
SCANNUMBER: 6090
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C16H14N2O2S
INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
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
RETENTION_TIME: 7.143147
PRECURSOR_MZ: 299.0857
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 10
91.05441	4904942.0
93.07003	396728.0
95.04928	309109.0
103.05439	240325.0
105.05748	315163.0
118.06553	748880.0
120.081	20302168.0
136.02161	2145909.0
148.0759	2833957.0
152.01669	272045.0

COMPOUND_NAME: Mesotrione
SCANNUMBER: 1880
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H13NO7S
INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N
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
RETENTION_TIME: 4.438974
PRECURSOR_MZ: 340.0492
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 21
92.0498	20384.0
94.02896	22521.0
95.01298	42541.0
104.01339	1414098.0
107.0131	68271.0
108.02079	22960.0
111.04435	27776.0
119.01284	29585.0
122.02398	38301.0
136.03949	15704.0
154.97983	175640.0
166.0137	179306.0
170.00336	47194.0
182.0032	34021.0
214.06305	78325.0
216.00862	81842.0
227.99644	875193.0
260.02258	25724.0
275.03772	37760.0
293.04776	19676.0
294.05606	18376.0

COMPOUND_NAME: Methoprotryne
SCANNUMBER: 2365
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H21N5OS
INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
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
RETENTION_TIME: 4.953537
PRECURSOR_MZ: 272.1545
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 15
91.03273	1224280.0
103.03277	469421.0
108.05575	1098439.0
116.0279	2387399.0
125.0825	7238442.0
150.07768	1073510.0
152.09319	544524.0
156.03424	386143.0
156.05936	523005.0
158.04967	579874.0
170.04977	30639952.0
198.08067	12326767.0
212.09639	2176296.0
230.10741	452827.0
240.1284	1276547.0

COMPOUND_NAME: Metribuzin
SCANNUMBER: 1932
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C8H14N4OS
INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N
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
RETENTION_TIME: 4.458099
PRECURSOR_MZ: 215.0965
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 62
85.08886	22454.0
87.00137	169483.0
88.00926	84542.0
89.01718	426359.0
95.06072	92527.0
96.04461	50118.0
97.06514	96987.0
98.05901	20223.0
99.09205	39234.0
104.02791	100681.0
108.06841	101836.0
109.07641	56085.0
110.06014	53533.0
110.08431	26239.0
114.03733	55997.0
114.99636	118244.0
115.0202	36933.0
116.01549	91102.0
117.01186	22228.0
123.05569	75674.0
123.07951	19671.0
124.06344	40346.0
124.08718	18832.0
125.07124	54613.0
125.0825	115086.0
126.10277	28501.0
129.03598	19818.0
130.03105	252134.0
131.0276	22354.0
131.03888	1631897.0
139.03265	27241.0
139.09824	52072.0
140.04034	101100.0
141.03566	33429.0
141.04825	19469.0
143.06389	91872.0
144.03552	36694.0
145.05458	227341.0
147.91982	56049.0
147.93188	52360.0
147.93575	42677.0
147.94106	55028.0
153.07755	94895.0
154.04378	27710.0
155.05132	25496.0
155.06427	49916.0
156.05936	708006.0
157.04344	120558.0
157.05453	30768.0
168.02261	18988.0
170.07477	29338.0
171.05882	968992.0
171.07022	30976.0
171.08282	34546.0
172.07808	172693.0
173.50877	74710.0
182.03879	33707.0
183.04619	29308.0
184.05394	333698.0
186.08231	47791.0
187.10153	1851092.0
215.09644	112225.0

COMPOUND_NAME: Prometryne
SCANNUMBER: 2407
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5S
INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
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
RETENTION_TIME: 4.990861
PRECURSOR_MZ: 242.1439
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 15
85.05116	4457818.0
91.03273	8009682.0
96.05572	6069758.0
102.03746	367626.0
110.04619	4165152.0
110.0716	444450.0
113.0825	1093208.0
116.0279	11189147.0
138.07761	4951850.0
144.05917	3781341.0
158.04646	408855.0
158.04967	34215304.0
173.50693	425480.0
186.08095	16656961.0
200.09659	2036050.0

COMPOUND_NAME: Pyridaben
SCANNUMBER: 8415
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C19H25N2OClS
INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
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
RETENTION_TIME: 7.556859
PRECURSOR_MZ: 365.1459
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 3
147.11726	1746679.0
309.0834	39061400.0
365.14478	6893662.0

COMPOUND_NAME: Simetryn
SCANNUMBER: 1608
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C8H15N5S
INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
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
RETENTION_TIME: 3.75983
PRECURSOR_MZ: 214.1124
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 12
91.03273	299056.0
96.05597	10435853.0
102.03746	159989.0
113.0825	349517.0
116.0279	6039216.0
124.08718	4340512.0
138.07761	424357.0
144.05917	2698291.0
158.04967	123923.0
166.10905	576911.0
186.08095	411980.0
214.11266	506708.0

COMPOUND_NAME: Sulfentrazone
SCANNUMBER: 2110
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H10N4O3Cl2F2S
INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
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
RETENTION_TIME: 4.825635
PRECURSOR_MZ: 386.99
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 48
92.03084	36986.0
109.9793	24541.0
111.99506	13105.0
127.99009	18850.0
136.99023	73690.0
139.00583	127950.0
145.95616	142592.0
146.00066	61013.0
146.96414	17631.0
149.04001	58665.0
155.00107	516575.0
157.95639	179021.0
163.96677	638082.0
172.96719	294246.0
173.50693	15383.0
173.95125	25670.0
173.97466	222766.0
175.96661	26415.0
178.01723	464585.0
180.03255	13838.0
182.01176	108423.0
186.98276	774653.0
190.97755	43534.0
198.94617	336099.0
200.96233	30494.0
212.00275	22753.0
213.9933	128858.0
218.9523	26640.0
221.02235	12118.0
222.03113	12834.0
223.03876	132014.0
226.96516	14865.0
232.00861	308335.0
245.96388	122236.0
246.97118	31675.0
256.99966	41655.0
258.00772	138182.0
271.01935	68960.0
272.02798	110904.0
273.035	1123625.0
274.04276	16257.0
279.98544	298347.0
286.99054	64325.0
287.99789	19349.0
289.03033	15241.0
306.99692	72556.0
308.00412	68794.0
336.99271	19232.0

COMPOUND_NAME: Terbutryn
SCANNUMBER: 2407
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H19N5S
INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
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
RETENTION_TIME: 4.990861
PRECURSOR_MZ: 242.1439
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 15
85.05116	4457818.0
91.03273	8009682.0
96.05572	6069758.0
102.03746	367626.0
110.04619	4165152.0
110.0716	444450.0
113.0825	1093208.0
116.0279	11189147.0
138.07761	4951850.0
144.05917	3781341.0
158.04646	408855.0
158.04967	34215304.0
173.50693	425480.0
186.08095	16656961.0
200.09659	2036050.0

COMPOUND_NAME: Thiabendazole
SCANNUMBER: 1232
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H7N3S
INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
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
RETENTION_TIME: 2.44406
PRECURSOR_MZ: 202.0437
ADDUCT: [M+H]+
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

COMPOUND_NAME: Thiacloprid
SCANNUMBER: 1685
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C10H9N4ClS
INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N
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
RETENTION_TIME: 4.159843
PRECURSOR_MZ: 253.0315
ADDUCT: [M+H]+
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

COMPOUND_NAME: Thiamethoxam
SCANNUMBER: 1108
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C8H10N5O3ClS
INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N
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
RETENTION_TIME: 2.35524
PRECURSOR_MZ: 292.0273
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 10
131.96729	856494.0
174.9729	61417.0
180.04681	65222.0
181.0547	129376.0
210.05699	499700.0
211.06477	3262623.0
245.02655	33196.0
246.0343	359117.0
248.02554	112237.0
292.02722	584625.0

COMPOUND_NAME: Tricyclazole
SCANNUMBER: 2638
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H7N3S
INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
SMILES: Cc1cccc2c1n1cnnc1s2
AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ)
INSTRUMENT: LC Orbitrap Fusion Tribrid MS
IONIZATION: ESI+
LICENSE: CC BY-NC
RETENTION_TIME: 5.514598
PRECURSOR_MZ: 190.0439
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 10
92.0498	1103195.0
109.01101	3220386.0
119.06059	619856.0
127.02138	192273.0
129.04501	178061.0
130.04021	316945.0
136.02161	16492967.0
137.01691	212259.0
163.03258	14491751.0
190.04391	4390148.0

COMPOUND_NAME: Fenarimol
SCANNUMBER: 2801
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H12N2OCl2
INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N
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
RETENTION_TIME: 6.876775
PRECURSOR_MZ: 331.0412
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 60
129.01041	62692.0
138.99483	4713270.0
139.00581	348352.0
140.02657	87193.0
149.01559	101793.0
156.06877	160067.0
157.07619	145321.0
160.97346	447898.0
161.97681	363570.0
164.0265	120667.0
165.07053	109460.0
178.07843	118150.0
183.0555	74353.0
184.06332	56066.0
185.07138	63091.0
189.07033	2498508.0
192.02161	92048.0
192.04518	47251.0
199.0313	150848.0
200.03886	96007.0
203.07297	92058.0
204.08092	678200.0
205.06487	253030.0
205.08929	197254.0
206.07339	64967.0
212.03918	81877.0
216.08105	187436.0
217.06558	157687.0
219.0323	135275.0
220.0406	48463.0
223.03162	1274143.0
224.03886	340107.0
225.04663	54849.0
231.0923	53552.0
232.07594	380360.0
232.09967	52199.0
232.99239	244669.0
233.08405	997290.0
235.00783	124586.0
238.04195	729158.0
240.05751	690775.0
241.04176	517674.0
241.06586	115853.0
242.08463	143951.0
243.09258	198185.0
250.04214	378960.0
251.0031	434485.0
251.02657	76166.0
251.05006	585923.0
252.03401	1565574.0
259.00827	2379846.0
259.08661	47950.0
266.03717	318342.0
267.04504	216878.0
267.06848	215642.0
268.05276	3869425.0
276.03445	91579.0
277.0527	143152.0
278.06161	515869.0
279.06857	114232.0

COMPOUND_NAME: Fenbuconazole
SCANNUMBER: 3202
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C19H17N4Cl
INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N
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
RETENTION_TIME: 7.045859
PRECURSOR_MZ: 337.1223
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 9
89.03882	491858.0
91.05441	1708709.0
103.05439	763259.0
125.01532	31583906.0
128.062	614101.0
129.07021	1018109.0
139.0309	716816.0
155.06064	335216.0
163.0309	736285.0

COMPOUND_NAME: Fluquinconazole
SCANNUMBER: 3422
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C16H8N5OCl2F
INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
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
RETENTION_TIME: 7.093534
PRECURSOR_MZ: 376.0173
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 22
108.02471	848273.0
123.99523	983397.0
126.03514	85852.0
158.97679	294325.0
163.03033	1264696.0
181.04097	120423.0
195.05714	105799.0
243.01224	134077.0
244.01985	783328.0
251.97818	94741.0
272.01474	3792436.0
278.98978	1325774.0
279.97287	100928.0
287.02576	171499.0
306.98392	7738432.0
313.02911	148350.0
314.03632	96754.0
324.99539	291864.0
331.97888	91552.0
339.01056	449848.0
349.00613	731296.0
349.98984	271485.0

COMPOUND_NAME: Flutriafol
SCANNUMBER: 1408
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C16H13N3OF2
INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N
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
RETENTION_TIME: 5.240544
PRECURSOR_MZ: 302.1111
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 11
109.04492	5549990.0
113.03991	603136.0
123.02199	197823.0
123.02419	14667272.0
123.03517	2231147.0
137.03973	187845.0
165.06996	216662.0
194.05283	196543.0
195.06081	577107.0
214.05884	311976.0
215.0668	353163.0

COMPOUND_NAME: Fuberidazole
SCANNUMBER: 1202
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H8N2O
INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
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
RETENTION_TIME: 2.456748
PRECURSOR_MZ: 185.0715
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 15
92.0498	2714348.0
103.05439	924742.0
118.05279	1356359.0
119.06059	1561269.0
128.04956	416024.0
129.04501	934098.0
129.05762	1711080.0
130.06528	5627980.0
131.06062	2006719.0
142.05298	1703655.0
143.06068	769483.0
155.06064	2222038.0
156.06877	35950644.0
157.07619	39653584.0
185.0714	6790632.0

COMPOUND_NAME: Cyproconazole_1
SCANNUMBER: 1619
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H18N3OCl
INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
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
RETENTION_TIME: 6.138374
PRECURSOR_MZ: 292.122
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
89.03882	111896.0
125.01532	6537308.0
138.99483	329090.0
139.00581	166501.0

COMPOUND_NAME: Cyproconazole_2
SCANNUMBER: 1786
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H18N3OCl
INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
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
RETENTION_TIME: 6.36811
PRECURSOR_MZ: 292.1225
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 4
89.03882	144933.0
125.01532	8553550.0
138.99483	403028.0
139.00581	198856.0

COMPOUND_NAME: Diclobutrazol
SCANNUMBER: 2657
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H19N3OCl2
INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
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
RETENTION_TIME: 6.830443
PRECURSOR_MZ: 328.0983
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 11
122.99965	485826.0
125.01532	529574.0
137.01562	496542.0
158.97626	45675696.0
164.03891	599051.0
172.9556	1689517.0
172.99223	1044544.0
174.97104	486149.0
186.97108	498843.0
190.96622	746907.0
199.00793	579087.0

COMPOUND_NAME: Difenoconazole
SCANNUMBER: 4342
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C19H17N3O3Cl2
INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
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
RETENTION_TIME: 7.351549
PRECURSOR_MZ: 406.0727
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 13
129.07021	341601.0
139.00626	338485.0
141.01048	334473.0
152.06247	924840.0
153.07042	500230.0
181.06517	598188.0
187.03149	1315167.0
188.03915	3752594.0
215.02702	454036.0
216.03418	363614.0
223.00838	2665156.0
251.0031	32513990.0
264.98291	3756956.0

COMPOUND_NAME: Diniconazole
SCANNUMBER: 3119
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H17N3OCl2
INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N
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
RETENTION_TIME: 6.999194
PRECURSOR_MZ: 326.0832
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 52
87.0807	115189.0
110.0716	52760.0
123.00002	65949.0
136.00755	116731.0
137.01562	125799.0
141.07028	87788.0
143.08594	53581.0
145.0649	52799.0
148.08749	54447.0
150.02344	61653.0
153.07042	57255.0
154.07816	75541.0
158.97679	4013011.0
162.0233	223821.0
164.03891	43958.0
165.01022	141964.0
166.0183	79777.0
169.10155	324107.0
170.97658	348553.0
172.95621	929271.0
172.96719	160833.0
172.99223	196389.0
175.0313	83110.0
176.03931	389366.0
179.02609	125863.0
180.03384	98155.0
182.07175	55824.0
182.97643	126111.0
184.99236	46623.0
185.98766	43685.0
189.0215	81465.0
189.04662	463062.0
190.02985	105876.0
191.02502	124599.0
193.04185	237565.0
196.99208	133380.0
203.03725	47288.0
203.06287	40626.0
204.07076	337511.0
205.01678	42726.0
207.0574	131489.0
209.9998	62865.0
216.03247	187324.0
217.0407	287524.0
224.01547	69804.0
230.04839	54464.0
234.04297	67828.0
240.0096	86885.0
252.00932	126391.0
264.0097	43206.0
270.01987	48934.0
278.02554	102202.0

COMPOUND_NAME: Epoxiconazole
SCANNUMBER: 3124
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H13N3OClF
INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N
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
RETENTION_TIME: 6.999194
PRECURSOR_MZ: 330.0806
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 12
91.05464	783917.0
101.03878	454726.0
113.01572	623551.0
113.04023	604178.0
119.04978	1591248.0
121.04307	362239.0
121.04521	27069946.0
123.02455	5942544.0
123.03517	2030362.0
129.04501	7068444.0
138.99483	468356.0
141.01048	1219612.0

COMPOUND_NAME: Etaconazole
SCANNUMBER: 2581
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H15N3O2Cl2
INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N
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
RETENTION_TIME: 6.802904
PRECURSOR_MZ: 328.0626
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 10
122.99965	480348.0
125.01532	599928.0
137.01562	455760.0
158.97626	39434140.0
164.03891	610435.0
172.9556	1469728.0
172.99223	970218.0
174.97166	597883.0
190.96622	527039.0
199.00793	567443.0

COMPOUND_NAME: Ethirimol
SCANNUMBER: 1043
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H19N3O
INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N
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
RETENTION_TIME: 2.246086
PRECURSOR_MZ: 210.1608
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 32
93.07027	325229.0
95.06072	869968.0
95.08585	891568.0
96.0446	781962.0
97.03999	1008744.0
98.06031	16588468.0
105.07019	215544.0
107.07314	1858556.0
109.0761	345145.0
110.06044	242964.0
110.0716	341679.0
110.09671	170712.0
111.07922	353713.0
112.11221	261603.0
114.06642	269861.0
120.081	391118.0
122.07138	761007.0
122.08405	230087.0
122.09672	693029.0
123.05569	456004.0
124.06344	347297.0
138.06627	3057256.0
139.07446	2046408.0
140.10709	14705233.0
150.10286	1256237.0
152.08211	570565.0
165.10242	2897067.0
166.09755	407251.0
167.10577	1091732.0
182.12912	2661313.0
193.13402	1554662.0
210.15997	2414378.0

COMPOUND_NAME: Hexaconazole
SCANNUMBER: 2543
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C14H17N3OCl2
INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N
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
RETENTION_TIME: 6.793731
PRECURSOR_MZ: 314.0833
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 16
115.05463	149487.0
123.00002	104704.0
125.0157	1580755.0
129.01041	156034.0
136.00755	162737.0
139.00626	458884.0
146.97656	554008.0
149.01559	424582.0
150.02344	1003022.0
153.01047	351412.0
158.97679	7629371.0
170.97658	545468.0
172.99223	112377.0
174.97166	740773.0
184.99236	690533.0
188.98734	151249.0

COMPOUND_NAME: Ipconazole
SCANNUMBER: 3476
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C18H24N3OCl
INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
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
RETENTION_TIME: 7.112235
PRECURSOR_MZ: 334.1694
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 18
89.03882	79221.0
95.08585	152078.0
109.10148	351087.0
115.05463	110112.0
116.06245	125067.0
125.01532	7756546.0
128.06239	168573.0
130.078	83461.0
139.03134	219182.0
142.07797	176298.0
149.01559	120448.0
151.03107	544953.0
155.06064	99629.0
156.09335	164234.0
163.0309	672001.0
165.04663	173374.0
177.04655	269267.0
191.06258	291856.0

COMPOUND_NAME: Metconazole
SCANNUMBER: 3161
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H22N3OCl
INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
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
RETENTION_TIME: 7.017605
PRECURSOR_MZ: 320.1538
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 13
95.08585	468079.0
107.08563	155599.0
125.01532	7873925.0
128.06239	109318.0
139.0309	414801.0
141.07028	83342.0
142.07797	413140.0
151.03107	437268.0
156.09335	90865.0
163.0309	398692.0
165.04663	82686.0
177.04655	645875.0
191.06258	194319.0

COMPOUND_NAME: Nuarimol
SCANNUMBER: 1883
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H12N2OClF
INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N
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
RETENTION_TIME: 6.452959
PRECURSOR_MZ: 315.0705
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 59
113.03991	15277.0
123.02419	689099.0
123.03554	68936.0
128.04956	14564.0
129.01041	14843.0
133.0451	22041.0
138.99483	1332636.0
139.00581	94456.0
140.02657	19300.0
146.06032	14189.0
148.05606	39683.0
149.01559	14981.0
155.06064	19858.0
156.06824	55221.0
157.07619	36997.0
164.0265	18608.0
175.06673	21221.0
176.05058	19072.0
177.06996	49682.0
183.0555	30209.0
183.06081	88118.0
184.06332	19768.0
184.06868	59202.0
196.06854	97299.0
197.07671	61139.0
203.0621	35166.0
204.06998	19803.0
204.08092	49291.0
205.06487	29754.0
207.06059	882384.0
208.0686	634275.0
209.07669	25592.0
217.0218	165488.0
219.03754	41019.0
222.07198	384808.0
223.03162	30017.0
223.0799	43854.0
224.08748	416242.0
225.07111	247098.0
225.09467	22048.0
231.03761	14704.0
232.07594	99246.0
234.07179	197210.0
235.032	192527.0
235.05521	28642.0
235.07939	264307.0
236.06332	486776.0
242.08463	14147.0
243.03766	1030291.0
250.06654	105369.0
251.07462	143926.0
251.0981	73184.0
252.08234	1413294.0
260.06421	35847.0
261.08243	111553.0
262.0907	121243.0
263.09796	32958.0
269.04013	16405.0
270.04846	16960.0

COMPOUND_NAME: Paclobutrazol
SCANNUMBER: 1764
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H20N3OCl
INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N
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
RETENTION_TIME: 6.358851
PRECURSOR_MZ: 294.1362
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 22
87.0807	394679.0
89.03882	144548.0
91.05441	100589.0
95.04928	72012.0
102.04659	60868.0
103.05439	512214.0
113.0154	191248.0
115.0543	61507.0
116.06211	61856.0
125.01532	6037114.0
126.01882	85997.0
127.01254	4019573.0
129.07021	226797.0
130.078	602958.0
137.01562	331896.0
139.0309	780894.0
140.99162	137268.0
141.00285	65567.0
141.01048	108664.0
151.03107	202825.0
165.04663	986782.0
173.50876	86407.0

COMPOUND_NAME: Penconazole
SCANNUMBER: 2459
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C13H15N3Cl2
INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N
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
RETENTION_TIME: 6.747501
PRECURSOR_MZ: 284.0724
ADDUCT: [M+H]+
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

COMPOUND_NAME: Propiconazole
SCANNUMBER: 3131
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H17N3O2Cl2
INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
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
RETENTION_TIME: 6.999194
PRECURSOR_MZ: 342.0777
ADDUCT: [M+H]+
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

COMPOUND_NAME: Tebuconazole
SCANNUMBER: 2993
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C16H22N3OCl
INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N
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
RETENTION_TIME: 6.933391
PRECURSOR_MZ: 308.1532
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 15
89.03882	78455.0
103.05439	150981.0
115.0543	806550.0
116.06211	1104744.0
125.01532	7312966.0
129.07021	192428.0
130.078	394675.0
133.06488	89665.0
137.01562	81241.0
139.0309	552019.0
143.06068	143813.0
144.09352	109186.0
151.03107	2225088.0
165.04663	474739.0
179.0621	93619.0

COMPOUND_NAME: Tetraconazole
SCANNUMBER: 1845
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C13H11N3OCl2F4
INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N
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
RETENTION_TIME: 6.434036
PRECURSOR_MZ: 372.0302
ADDUCT: [M+H]+
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

COMPOUND_NAME: Triflumizole
SCANNUMBER: 2640
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C15H15N3OClF3
INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
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
RETENTION_TIME: 6.821252
PRECURSOR_MZ: 346.094
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 2
278.05542	29552484.0
346.09351	955540.0

COMPOUND_NAME: Triticonazole
SCANNUMBER: 2549
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C17H20N3OCl
INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N
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
RETENTION_TIME: 6.793731
PRECURSOR_MZ: 318.1369
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 59
89.03882	57349.0
91.05464	43853.0
95.04953	68354.0
95.08585	78735.0
105.04505	52373.0
105.07019	44975.0
109.06509	75668.0
109.10148	51915.0
113.01572	53023.0
115.05463	68376.0
123.0806	45319.0
124.08866	67815.0
125.0157	4347652.0
127.01254	310325.0
128.06239	303332.0
130.078	46406.0
138.99483	44710.0
139.03134	105057.0
141.0033	76537.0
141.01048	71845.0
141.07028	162099.0
142.07797	64263.0
145.0649	84426.0
149.01559	164192.0
150.97079	108504.0
151.01263	78052.0
151.03107	81877.0
152.0202	168874.0
152.06247	59642.0
153.06992	138585.0
154.07816	168480.0
155.00728	52088.0
155.06064	174636.0
155.07307	63253.0
155.08603	105852.0
156.09389	497246.0
160.97346	52002.0
161.97681	59631.0
162.0233	93274.0
162.97058	1449389.0
163.0309	743940.0
165.04663	51233.0
165.06996	567265.0
166.07343	191274.0
167.0768	126513.0
167.08606	45824.0
174.97041	93433.0
175.0313	553302.0
176.03931	76155.0
177.04655	73758.0
178.96568	128779.0
181.10179	157033.0
185.07611	76498.0
188.98663	142622.0
189.04662	686868.0
189.05568	66741.0
190.04179	48399.0
191.06258	581232.0
196.12456	74697.0

COMPOUND_NAME: Spinetoram L
SCANNUMBER: 3229
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C43H69NO10
INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N
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
RETENTION_TIME: 6.970665
PRECURSOR_MZ: 760.5021
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 21
85.06505	76410.0
87.04429	159491.0
95.04928	101292.0
97.06514	990457.0
98.09655	3217928.0
99.04415	293676.0
99.08067	604833.0
101.06004	88798.0
111.04435	94328.0
115.0755	369305.0
124.11241	164399.0
125.05997	306356.0
127.07556	185334.0
142.12299	6861919.0
157.08623	113064.0
160.13321	150610.0
169.10155	133452.0
173.50752	93996.0
183.11732	117521.0
211.11166	121662.0
213.09132	89441.0

COMPOUND_NAME: Emamectin benzoate
SCANNUMBER: 3373
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C49H75NO13
INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N
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
RETENTION_TIME: 6.999389
PRECURSOR_MZ: 886.5328
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 11
95.04928	292923.0
98.06031	268499.0
108.08107	688810.0
109.10148	229513.0
114.0916	233366.0
119.08569	201386.0
123.11689	375128.0
126.09174	1876739.0
140.10709	213152.0
158.11794	18414448.0
173.50876	230972.0

COMPOUND_NAME: Fenpropimorph
SCANNUMBER: 1283
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C20H33NO
INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
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
RETENTION_TIME: 4.613603
PRECURSOR_MZ: 304.2642
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 14
91.05441	1025363.0
98.09655	5764430.0
102.09142	427096.0
105.0699	3838997.0
107.08563	608609.0
116.10709	2962134.0
117.06997	1187727.0
119.08569	5923314.0
130.1226	4460902.0
132.09351	5501752.0
145.10147	350602.0
147.11678	29169826.0
161.13254	881881.0
304.26379	2555976.0

COMPOUND_NAME: Spirodiclofen
SCANNUMBER: 4501
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C21H24O4Cl2
INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N
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
RETENTION_TIME: 7.279784
PRECURSOR_MZ: 411.1127
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 3
313.03357	548684.0
313.03952	12618725.0
411.11246	2380661.0

COMPOUND_NAME: Spinosad
SCANNUMBER: 2899
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C41H65NO10
INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N
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
RETENTION_TIME: 6.884336
PRECURSOR_MZ: 732.4695
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 24
85.06505	290872.0
95.08585	281431.0
97.06514	4107321.0
98.09655	11811636.0
99.04415	1980639.0
99.08067	1702591.0
101.05976	1777858.0
113.05991	355791.0
115.0755	428942.0
124.11241	549097.0
125.05997	1372437.0
129.09106	504378.0
142.12299	24420248.0
145.08598	799808.0
155.08551	1085827.0
157.08623	650576.0
160.13321	457492.0
169.10155	538427.0
173.50937	310025.0
183.08075	246373.0
197.09599	753984.0
199.07574	416158.0
201.0916	354498.0
225.09103	339682.0

COMPOUND_NAME: Spirotetramat
SCANNUMBER: 1978
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C21H27NO5
INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
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
RETENTION_TIME: 6.637813
PRECURSOR_MZ: 374.1972
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 25
117.07031	3145654.0
119.08569	1788706.0
131.08598	559926.0
143.08594	1443391.0
145.06535	755443.0
145.10147	3741174.0
147.08087	660014.0
155.08603	1939864.0
157.10155	488130.0
160.11253	518572.0
169.10155	615151.0
173.06003	2045691.0
173.09608	1047769.0
182.10933	614118.0
183.11732	922964.0
188.10699	1101991.0
192.09375	469162.0
197.13313	1231311.0
207.11739	667038.0
216.10236	45921764.0
225.12729	615992.0
244.13345	5845476.0
253.12317	483222.0
270.14972	5260680.0
302.17508	467268.0

COMPOUND_NAME: Spinetoram J
SCANNUMBER: 2785
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C42H69NO10
INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N
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
RETENTION_TIME: 6.875065
PRECURSOR_MZ: 748.4996
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 19
87.04429	367892.0
95.04928	288081.0
97.06488	2777411.0
98.09655	8992013.0
99.04415	801171.0
99.08067	1598443.0
111.04435	203657.0
115.0755	975367.0
124.11241	446241.0
125.05997	894301.0
127.07556	507677.0
142.12299	18851726.0
157.08623	430463.0
157.10155	1058798.0
160.13321	524113.0
171.11707	230127.0
199.11194	246050.0
203.10715	581698.0
217.12222	236328.0

COMPOUND_NAME: Hydramethylnon
SCANNUMBER: 1646
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C25H24N4F6
INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N
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
RETENTION_TIME: 6.67979
PRECURSOR_MZ: 495.1986
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 48
86.09703	592073.0
97.07668	1102254.0
102.04713	162761.0
109.07671	152336.0
111.09241	210434.0
112.08799	1438576.0
112.1001	1334338.0
113.10799	1043525.0
126.10352	2018271.0
127.11132	687935.0
128.1188	2868988.0
151.03604	3123530.0
153.11414	318101.0
159.04243	1900688.0
163.12367	266550.0
169.04726	264978.0
171.04259	9972201.0
178.04718	949330.0
183.04219	978938.0
196.0376	218268.0
198.05374	693364.0
209.05803	231723.0
213.06461	1076938.0
214.04874	274804.0
218.05339	138241.0
223.04858	173264.0
225.06474	1428863.0
238.05968	4320120.0
239.08025	155000.0
247.08057	319312.0
253.14586	318558.0
255.08643	272181.0
267.08603	1563035.0
270.13541	250539.0
281.12677	392614.0
295.14307	440522.0
298.08517	500719.0
298.15424	170519.0
299.09323	317366.0
307.14276	192450.0
323.14941	13337730.0
328.07541	186287.0
334.15344	701456.0
348.08228	404641.0
353.0658	262110.0
366.07346	193709.0
368.08932	5815862.0
495.20059	2433116.0

COMPOUND_NAME: Aminocarb_1
SCANNUMBER: 742
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H16N2O2
INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
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
RETENTION_TIME: 0.8035756
PRECURSOR_MZ: 209.129
ADDUCT: [M+H]+
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

COMPOUND_NAME: Aminocarb_2
SCANNUMBER: 1198
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H16N2O2
INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
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
RETENTION_TIME: 1.13997
PRECURSOR_MZ: 209.129
ADDUCT: [M+H]+
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

COMPOUND_NAME: Propamocarb_1
SCANNUMBER: 687
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H20N2O2
INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
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
RETENTION_TIME: 0.7535679
PRECURSOR_MZ: 189.1603
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 2
86.0966	201548.0
102.05516	5038638.0

COMPOUND_NAME: Propamocarb_2
SCANNUMBER: 1108
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C9H20N2O2
INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
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
RETENTION_TIME: 1.081971
PRECURSOR_MZ: 189.1603
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 2
86.0966	107829.0
102.05516	2507023.0

COMPOUND_NAME: Formetanate_1
SCANNUMBER: 711
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15N3O2
INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
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
RETENTION_TIME: 0.7730471
PRECURSOR_MZ: 222.1239
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 13
93.03365	1796.0
107.04935	1981.0
111.04435	82262.0
118.04142	1927.0
120.04462	150907.0
121.03984	67610.0
122.06016	5909.0
122.75254	1678.0
150.98424	1930.0
165.1024	143887.0
173.50876	2616.0
200.05632	2056.0
208.52768	2170.0

COMPOUND_NAME: Formetanate_2
SCANNUMBER: 1161
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C11H15N3O2
INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
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
RETENTION_TIME: 1.13043
PRECURSOR_MZ: 222.1239
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 15
91.05441	6330.0
93.03365	27201.0
107.04935	4024.0
111.04435	131558.0
115.05429	3711.0
117.06996	5571.0
118.04177	4476.0
120.04462	274740.0
121.03984	113412.0
122.06016	7843.0
124.07605	4049.0
135.04427	4178.0
145.06488	3067.0
164.95049	3848.0
165.1024	263802.0

COMPOUND_NAME: Mexacarbate
SCANNUMBER: 1328
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C12H18N2O2
INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
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
RETENTION_TIME: 1.682191
PRECURSOR_MZ: 223.1443
ADDUCT: [M+H]+
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

COMPOUND_NAME: Monceren
SCANNUMBER: 3999
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C19H21N2OCl
INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N
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
RETENTION_TIME: 7.14553
PRECURSOR_MZ: 329.1426
ADDUCT: [M+H]+
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

COMPOUND_NAME: Desmedipham
SCANNUMBER: 2271
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C16H16N2O4
INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
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
RETENTION_TIME: 6.430396
PRECURSOR_MZ: 301.1192
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 3
136.03947	1773399.0
154.04993	1002798.0
182.08162	6480130.0

COMPOUND_NAME: Phenmedipham
SCANNUMBER: 2458
IONMODE: positive
SPECTRUMTYPE: Centroid
FORMULA: C16H16N2O4
INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N
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
RETENTION_TIME: 6.570995
PRECURSOR_MZ: 301.1185
ADDUCT: [M+H]+
INSTRUMENT_TYPE: LC-ESI-Orbitrap
NUM PEAKS: 2
136.03947	2596929.0
168.06587	7038054.0