Mercurial > repos > recetox > matchms_split
comparison test-data/convert/harmonized_msp_out.msp @ 23:6864944b00fd draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author | recetox |
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date | Mon, 30 Jun 2025 13:02:23 +0000 |
parents | 0cf68b536cd1 |
children |
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22:ea6c5636c0cf | 23:6864944b00fd |
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1 COMPOUND_NAME: Acephate | |
1 SCANNUMBER: 1161 | 2 SCANNUMBER: 1161 |
2 IONMODE: positive | 3 IONMODE: positive |
3 SPECTRUMTYPE: Centroid | 4 SPECTRUMTYPE: Centroid |
4 FORMULA: C4H10NO3PS | 5 FORMULA: C4H10NO3PS |
5 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N | 6 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N |
6 SMILES: COP(=O)(N=C(O)C)SC | 7 SMILES: COP(=O)(N=C(O)C)SC |
7 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 8 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
8 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 9 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
9 IONIZATION: ESI+ | 10 IONIZATION: ESI+ |
10 LICENSE: CC BY-NC | 11 LICENSE: CC BY-NC |
11 COMPOUND_NAME: Acephate | |
12 RETENTION_TIME: 1.232997 | 12 RETENTION_TIME: 1.232997 |
13 PRECURSOR_MZ: 184.0194 | 13 PRECURSOR_MZ: 184.0194 |
14 ADDUCT: [M+H]+ | 14 ADDUCT: [M+H]+ |
15 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 15 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
16 NUM PEAKS: 16 | 16 NUM PEAKS: 16 |
17 90.09368 1128.0 | 17 90.09368 1128.0 |
18 93.11512 1241.0 | 18 93.11512 1241.0 |
19 95.10279 1118.0 | 19 95.10279 1118.0 |
20 101.31465 1152.0 | 20 101.31465 1152.0 |
21 102.90688 1322.0 | 21 102.90688 1322.0 |
22 103.98039 1201.0 | 22 103.98039 1201.0 |
23 112.01607 12289.0 | 23 112.01607 12289.0 |
24 112.99994 38027.0 | 24 112.99994 38027.0 |
25 115.00399 1634.0 | 25 115.00399 1634.0 |
26 124.98121 922.0 | 26 124.98121 922.0 |
27 128.97701 9208.0 | 27 128.97701 9208.0 |
28 132.57193 1350.0 | 28 132.57193 1350.0 |
29 135.84808 1428.0 | 29 135.84808 1428.0 |
30 142.99275 16419.0 | 30 142.99275 16419.0 |
31 147.94205 1750.0 | 31 147.94205 1750.0 |
32 173.5094 2353.0 | 32 173.5094 2353.0 |
33 | 33 |
34 COMPOUND_NAME: Carbaryl | |
34 SCANNUMBER: 2257 | 35 SCANNUMBER: 2257 |
35 IONMODE: positive | 36 IONMODE: positive |
36 SPECTRUMTYPE: Centroid | 37 SPECTRUMTYPE: Centroid |
37 FORMULA: C12H11NO2 | 38 FORMULA: C12H11NO2 |
38 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N | 39 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N |
39 SMILES: CN=C(Oc1cccc2c1cccc2)O | 40 SMILES: CN=C(Oc1cccc2c1cccc2)O |
40 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 41 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
41 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 42 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
42 IONIZATION: ESI+ | 43 IONIZATION: ESI+ |
43 LICENSE: CC BY-NC | 44 LICENSE: CC BY-NC |
44 COMPOUND_NAME: Carbaryl | |
45 RETENTION_TIME: 5.259445 | 45 RETENTION_TIME: 5.259445 |
46 PRECURSOR_MZ: 202.0863 | 46 PRECURSOR_MZ: 202.0863 |
47 ADDUCT: [M+H]+ | 47 ADDUCT: [M+H]+ |
48 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 48 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
49 NUM PEAKS: 1 | 49 NUM PEAKS: 1 |
50 145.06491 1326147.0 | 50 145.06491 1326147.0 |
51 | 51 |
52 COMPOUND_NAME: Dicrotophos | |
52 SCANNUMBER: 1516 | 53 SCANNUMBER: 1516 |
53 IONMODE: positive | 54 IONMODE: positive |
54 SPECTRUMTYPE: Centroid | 55 SPECTRUMTYPE: Centroid |
55 FORMULA: C8H16NO5P | 56 FORMULA: C8H16NO5P |
56 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N | 57 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N |
57 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC | 58 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC |
58 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 59 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
59 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 60 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
60 IONIZATION: ESI+ | 61 IONIZATION: ESI+ |
61 LICENSE: CC BY-NC | 62 LICENSE: CC BY-NC |
62 COMPOUND_NAME: Dicrotophos | |
63 RETENTION_TIME: 2.025499 | 63 RETENTION_TIME: 2.025499 |
64 PRECURSOR_MZ: 238.0844 | 64 PRECURSOR_MZ: 238.0844 |
65 ADDUCT: [M+H]+ | 65 ADDUCT: [M+H]+ |
66 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 66 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
67 NUM PEAKS: 5 | 67 NUM PEAKS: 5 |
68 112.074 102027.0 | 68 112.074 102027.0 |
69 112.07591 9070987.0 | 69 112.07591 9070987.0 |
70 127.01563 3230337.0 | 70 127.01563 3230337.0 |
71 193.02605 7897744.0 | 71 193.02605 7897744.0 |
72 238.08437 2973124.0 | 72 238.08437 2973124.0 |
73 | 73 |
74 COMPOUND_NAME: Dimethoate | |
74 SCANNUMBER: 1865 | 75 SCANNUMBER: 1865 |
75 IONMODE: positive | 76 IONMODE: positive |
76 SPECTRUMTYPE: Centroid | 77 SPECTRUMTYPE: Centroid |
77 FORMULA: C5H12NO3PS2 | 78 FORMULA: C5H12NO3PS2 |
78 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N | 79 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N |
79 SMILES: CN=C(CSP(=S)(OC)OC)O | 80 SMILES: CN=C(CSP(=S)(OC)OC)O |
80 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 81 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
81 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 82 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
82 IONIZATION: ESI+ | 83 IONIZATION: ESI+ |
83 LICENSE: CC BY-NC | 84 LICENSE: CC BY-NC |
84 COMPOUND_NAME: Dimethoate | |
85 RETENTION_TIME: 2.866696 | 85 RETENTION_TIME: 2.866696 |
86 PRECURSOR_MZ: 230.0072 | 86 PRECURSOR_MZ: 230.0072 |
87 ADDUCT: [M+H]+ | 87 ADDUCT: [M+H]+ |
88 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 88 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
89 NUM PEAKS: 8 | 89 NUM PEAKS: 8 |
90 88.0219 548446.0 | 90 88.0219 548446.0 |
91 124.98233 183861.0 | 91 124.98233 183861.0 |
92 142.99275 722053.0 | 92 142.99275 722053.0 |
93 156.95422 80792.0 | 93 156.95422 80792.0 |
94 170.97 1426256.0 | 94 170.97 1426256.0 |
95 197.98123 240915.0 | 95 197.98123 240915.0 |
96 198.96501 5415933.0 | 96 198.96501 5415933.0 |
97 230.00722 497851.0 | 97 230.00722 497851.0 |
98 | 98 |
99 COMPOUND_NAME: Dimethomorph | |
99 SCANNUMBER: 3852 | 100 SCANNUMBER: 3852 |
100 IONMODE: positive | 101 IONMODE: positive |
101 SPECTRUMTYPE: Centroid | 102 SPECTRUMTYPE: Centroid |
102 FORMULA: C21H22NO4Cl | 103 FORMULA: C21H22NO4Cl |
103 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N | 104 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N |
104 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl | 105 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl |
105 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 106 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
106 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 107 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
107 IONIZATION: ESI+ | 108 IONIZATION: ESI+ |
108 LICENSE: CC BY-NC | 109 LICENSE: CC BY-NC |
109 COMPOUND_NAME: Dimethomorph | |
110 RETENTION_TIME: 7.060486 | 110 RETENTION_TIME: 7.060486 |
111 PRECURSOR_MZ: 388.1316 | 111 PRECURSOR_MZ: 388.1316 |
112 ADDUCT: [M+H]+ | 112 ADDUCT: [M+H]+ |
113 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 113 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
114 NUM PEAKS: 22 | 114 NUM PEAKS: 22 |
115 114.05532 468862.0 | 115 114.05532 468862.0 |
116 125.01571 886745.0 | 116 125.01571 886745.0 |
117 138.99484 4138370.0 | 117 138.99484 4138370.0 |
118 155.0705 425164.0 | 118 155.0705 425164.0 |
119 165.05519 15513399.0 | 119 165.05519 15513399.0 |
120 165.06543 350695.0 | 120 165.06543 350695.0 |
121 195.08057 386226.0 | 121 195.08057 386226.0 |
122 215.0262 490061.0 | 122 215.0262 490061.0 |
123 223.07544 702025.0 | 123 223.07544 702025.0 |
124 227.02576 230514.0 | 124 227.02576 230514.0 |
125 229.04225 216308.0 | 125 229.04225 216308.0 |
126 235.07555 241142.0 | 126 235.07555 241142.0 |
127 238.09914 1323577.0 | 127 238.09914 1323577.0 |
128 242.04929 2449236.0 | 128 242.04929 2449236.0 |
129 243.02142 891584.0 | 129 243.02142 891584.0 |
130 257.03726 578874.0 | 130 257.03726 578874.0 |
131 258.04443 3232295.0 | 131 258.04443 3232295.0 |
132 266.0943 358273.0 | 132 266.0943 358273.0 |
133 270.04492 608851.0 | 133 270.04492 608851.0 |
134 273.06772 3866006.0 | 134 273.06772 3866006.0 |
135 286.03912 483547.0 | 135 286.03912 483547.0 |
136 301.06311 4060551.0 | 136 301.06311 4060551.0 |
137 | 137 |
138 COMPOUND_NAME: Methamidophos | |
138 SCANNUMBER: 1009 | 139 SCANNUMBER: 1009 |
139 IONMODE: positive | 140 IONMODE: positive |
140 SPECTRUMTYPE: Centroid | 141 SPECTRUMTYPE: Centroid |
141 FORMULA: C2H8NO2PS | 142 FORMULA: C2H8NO2PS |
142 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N | 143 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N |
143 SMILES: COP(=O)(SC)N | 144 SMILES: COP(=O)(SC)N |
144 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 145 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
145 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 146 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
146 IONIZATION: ESI+ | 147 IONIZATION: ESI+ |
147 LICENSE: CC BY-NC | 148 LICENSE: CC BY-NC |
148 COMPOUND_NAME: Methamidophos | |
149 RETENTION_TIME: 1.153307 | 149 RETENTION_TIME: 1.153307 |
150 PRECURSOR_MZ: 142.0089 | 150 PRECURSOR_MZ: 142.0089 |
151 ADDUCT: [M+H]+ | 151 ADDUCT: [M+H]+ |
152 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 152 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
153 NUM PEAKS: 4 | 153 NUM PEAKS: 4 |
154 98.00042 37721.0 | 154 98.00042 37721.0 |
155 109.98272 71172.0 | 155 109.98272 71172.0 |
156 112.01607 2867923.0 | 156 112.01607 2867923.0 |
157 127.99321 75837.0 | 157 127.99321 75837.0 |
158 | 158 |
159 COMPOUND_NAME: Mevinphos | |
159 SCANNUMBER: 1924 | 160 SCANNUMBER: 1924 |
160 IONMODE: positive | 161 IONMODE: positive |
161 SPECTRUMTYPE: Centroid | 162 SPECTRUMTYPE: Centroid |
162 FORMULA: C7H13O6P | 163 FORMULA: C7H13O6P |
163 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N | 164 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N |
164 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C | 165 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C |
165 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 166 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
166 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 167 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
167 IONIZATION: ESI+ | 168 IONIZATION: ESI+ |
168 LICENSE: CC BY-NC | 169 LICENSE: CC BY-NC |
169 COMPOUND_NAME: Mevinphos | |
170 RETENTION_TIME: 2.876307 | 170 RETENTION_TIME: 2.876307 |
171 PRECURSOR_MZ: 225.0525 | 171 PRECURSOR_MZ: 225.0525 |
172 ADDUCT: [M+H]+ | 172 ADDUCT: [M+H]+ |
173 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 173 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
174 NUM PEAKS: 4 | 174 NUM PEAKS: 4 |
175 99.04416 295529.0 | 175 99.04416 295529.0 |
176 127.01563 1960973.0 | 176 127.01563 1960973.0 |
177 193.02605 1150190.0 | 177 193.02605 1150190.0 |
178 225.05209 101872.0 | 178 225.05209 101872.0 |
179 | 179 |
180 COMPOUND_NAME: Omethoate | |
180 SCANNUMBER: 1246 | 181 SCANNUMBER: 1246 |
181 IONMODE: positive | 182 IONMODE: positive |
182 SPECTRUMTYPE: Centroid | 183 SPECTRUMTYPE: Centroid |
183 FORMULA: C5H12NO4PS | 184 FORMULA: C5H12NO4PS |
184 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N | 185 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N |
185 SMILES: CN=C(CSP(=O)(OC)OC)O | 186 SMILES: CN=C(CSP(=O)(OC)OC)O |
186 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 187 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
187 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 188 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
188 IONIZATION: ESI+ | 189 IONIZATION: ESI+ |
189 LICENSE: CC BY-NC | 190 LICENSE: CC BY-NC |
190 COMPOUND_NAME: Omethoate | |
191 RETENTION_TIME: 1.33423 | 191 RETENTION_TIME: 1.33423 |
192 PRECURSOR_MZ: 214.0303 | 192 PRECURSOR_MZ: 214.0303 |
193 ADDUCT: [M+H]+ | 193 ADDUCT: [M+H]+ |
194 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 194 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
195 NUM PEAKS: 5 | 195 NUM PEAKS: 5 |
196 104.01654 86844.0 | 196 104.01654 86844.0 |
197 124.98233 194375.0 | 197 124.98233 194375.0 |
198 127.01563 4696021.0 | 198 127.01563 4696021.0 |
199 128.97701 47970.0 | 199 128.97701 47970.0 |
200 142.99275 4310988.0 | 200 142.99275 4310988.0 |
201 | 201 |
202 COMPOUND_NAME: Temephos | |
202 SCANNUMBER: 5447 | 203 SCANNUMBER: 5447 |
203 IONMODE: positive | 204 IONMODE: positive |
204 SPECTRUMTYPE: Centroid | 205 SPECTRUMTYPE: Centroid |
205 FORMULA: C16H20O6P2S3 | 206 FORMULA: C16H20O6P2S3 |
206 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N | 207 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N |
207 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC | 208 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC |
208 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 209 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
209 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 210 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
210 IONIZATION: ESI+ | 211 IONIZATION: ESI+ |
211 LICENSE: CC BY-NC | 212 LICENSE: CC BY-NC |
212 COMPOUND_NAME: Temephos | |
213 RETENTION_TIME: 7.736881 | 213 RETENTION_TIME: 7.736881 |
214 PRECURSOR_MZ: 466.9978 | 214 PRECURSOR_MZ: 466.9978 |
215 ADDUCT: [M+H]+ | 215 ADDUCT: [M+H]+ |
216 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 216 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
217 NUM PEAKS: 44 | 217 NUM PEAKS: 44 |
218 124.98233 218400.0 | 218 124.98233 218400.0 |
219 125.00596 124192.0 | 219 125.00596 124192.0 |
220 127.01563 590561.0 | 220 127.01563 590561.0 |
221 139.02167 79978.0 | 221 139.02167 79978.0 |
222 139.05467 105470.0 | 222 139.05467 105470.0 |
223 140.95975 428071.0 | 223 140.95975 428071.0 |
224 142.99275 7482486.0 | 224 142.99275 7482486.0 |
225 154.99849 619650.0 | 225 154.99849 619650.0 |
226 157.00861 365474.0 | 226 157.00861 365474.0 |
227 171.02641 502869.0 | 227 171.02641 502869.0 |
228 172.03448 151150.0 | 228 172.03448 151150.0 |
229 183.02695 176056.0 | 229 183.02695 176056.0 |
230 184.03453 206568.0 | 230 184.03453 206568.0 |
231 187.02121 240339.0 | 231 187.02121 240339.0 |
232 199.02151 245544.0 | 232 199.02151 245544.0 |
233 200.02902 385101.0 | 233 200.02902 385101.0 |
234 201.03729 198527.0 | 234 201.03729 198527.0 |
235 211.03268 88063.0 | 235 211.03268 88063.0 |
236 215.01689 538632.0 | 236 215.01689 538632.0 |
237 217.03214 259530.0 | 237 217.03214 259530.0 |
238 218.98798 87371.0 | 238 218.98798 87371.0 |
239 219.02972 94609.0 | 239 219.02972 94609.0 |
240 230.99336 108101.0 | 240 230.99336 108101.0 |
241 232.03233 244260.0 | 241 232.03233 244260.0 |
242 233.00958 88058.0 | 242 233.00958 88058.0 |
243 247.02538 224924.0 | 243 247.02538 224924.0 |
244 248.03291 127038.0 | 244 248.03291 127038.0 |
245 261.98486 132283.0 | 245 261.98486 132283.0 |
246 262.99268 185876.0 | 246 262.99268 185876.0 |
247 264.00052 186556.0 | 247 264.00052 186556.0 |
248 278.98856 208891.0 | 248 278.98856 208891.0 |
249 293.00336 81563.0 | 249 293.00336 81563.0 |
250 293.99384 84250.0 | 250 293.99384 84250.0 |
251 294.96494 87413.0 | 251 294.96494 87413.0 |
252 296.99844 481380.0 | 252 296.99844 481380.0 |
253 298.0065 151600.0 | 253 298.0065 151600.0 |
254 311.01453 119733.0 | 254 311.01453 119733.0 |
255 313.01282 181581.0 | 255 313.01282 181581.0 |
256 327.99893 299098.0 | 256 327.99893 299098.0 |
257 341.00787 2218540.0 | 257 341.00787 2218540.0 |
258 342.01566 293721.0 | 258 342.01566 293721.0 |
259 356.03104 227870.0 | 259 356.03104 227870.0 |
260 357.03922 75786.0 | 260 357.03922 75786.0 |
261 387.9765 125383.0 | 261 387.9765 125383.0 |
262 | 262 |
263 COMPOUND_NAME: Trichlorfon | |
263 SCANNUMBER: 1625 | 264 SCANNUMBER: 1625 |
264 IONMODE: positive | 265 IONMODE: positive |
265 SPECTRUMTYPE: Centroid | 266 SPECTRUMTYPE: Centroid |
266 FORMULA: C4H8O4Cl3P | 267 FORMULA: C4H8O4Cl3P |
267 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N | 268 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N |
268 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC | 269 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC |
269 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 270 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
270 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 271 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
271 IONIZATION: ESI+ | 272 IONIZATION: ESI+ |
272 LICENSE: CC BY-NC | 273 LICENSE: CC BY-NC |
273 COMPOUND_NAME: Trichlorfon | |
274 RETENTION_TIME: 2.242985 | 274 RETENTION_TIME: 2.242985 |
275 PRECURSOR_MZ: 256.9308 | 275 PRECURSOR_MZ: 256.9308 |
276 ADDUCT: [M+H]+ | 276 ADDUCT: [M+H]+ |
277 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 277 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
278 NUM PEAKS: 4 | 278 NUM PEAKS: 4 |
279 93.01007 104589.0 | 279 93.01007 104589.0 |
280 97.00512 72293.0 | 280 97.00512 72293.0 |
281 112.99994 32292.0 | 281 112.99994 32292.0 |
282 127.01563 3150219.0 | 282 127.01563 3150219.0 |
283 | 283 |
284 COMPOUND_NAME: Vamidothion | |
284 SCANNUMBER: 2002 | 285 SCANNUMBER: 2002 |
285 IONMODE: positive | 286 IONMODE: positive |
286 SPECTRUMTYPE: Centroid | 287 SPECTRUMTYPE: Centroid |
287 FORMULA: C8H18NO4PS2 | 288 FORMULA: C8H18NO4PS2 |
288 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N | 289 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N |
289 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O | 290 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O |
290 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 291 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
291 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 292 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
292 IONIZATION: ESI+ | 293 IONIZATION: ESI+ |
293 LICENSE: CC BY-NC | 294 LICENSE: CC BY-NC |
294 COMPOUND_NAME: Vamidothion | |
295 RETENTION_TIME: 2.914602 | 295 RETENTION_TIME: 2.914602 |
296 PRECURSOR_MZ: 288.0491 | 296 PRECURSOR_MZ: 288.0491 |
297 ADDUCT: [M+H]+ | 297 ADDUCT: [M+H]+ |
298 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 298 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
299 NUM PEAKS: 3 | 299 NUM PEAKS: 3 |
300 118.03215 464396.0 | 300 118.03215 464396.0 |
301 146.06366 10321336.0 | 301 146.06366 10321336.0 |
302 288.04907 1456244.0 | 302 288.04907 1456244.0 |
303 | 303 |
304 COMPOUND_NAME: Aldicarb sulfone | |
304 SCANNUMBER: 1209 | 305 SCANNUMBER: 1209 |
305 IONMODE: positive | 306 IONMODE: positive |
306 SPECTRUMTYPE: Centroid | 307 SPECTRUMTYPE: Centroid |
307 FORMULA: C7H14N2O4S | 308 FORMULA: C7H14N2O4S |
308 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N | 309 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N |
309 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O | 310 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O |
310 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 311 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
311 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 312 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
312 IONIZATION: ESI+ | 313 IONIZATION: ESI+ |
313 LICENSE: CC BY-NC | 314 LICENSE: CC BY-NC |
314 COMPOUND_NAME: Aldicarb sulfone | |
315 RETENTION_TIME: 1.483623 | 315 RETENTION_TIME: 1.483623 |
316 PRECURSOR_MZ: 223.075 | 316 PRECURSOR_MZ: 223.075 |
317 ADDUCT: [M+H]+ | 317 ADDUCT: [M+H]+ |
318 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 318 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
319 NUM PEAKS: 9 | 319 NUM PEAKS: 9 |
320 86.06018 763151.0 | 320 86.06018 763151.0 |
321 106.03234 330646.0 | 321 106.03234 330646.0 |
322 120.04782 16624.0 | 322 120.04782 16624.0 |
323 148.03964 11931.0 | 323 148.03964 11931.0 |
324 148.04301 1170924.0 | 324 148.04301 1170924.0 |
325 166.05334 738329.0 | 325 166.05334 738329.0 |
326 208.9567 12192.0 | 326 208.9567 12192.0 |
327 223.06381 99297.0 | 327 223.06381 99297.0 |
328 223.07454 90546.0 | 328 223.07454 90546.0 |
329 | 329 |
330 COMPOUND_NAME: Benfuracarb | |
330 SCANNUMBER: 4766 | 331 SCANNUMBER: 4766 |
331 IONMODE: positive | 332 IONMODE: positive |
332 SPECTRUMTYPE: Centroid | 333 SPECTRUMTYPE: Centroid |
333 FORMULA: C20H30N2O5S | 334 FORMULA: C20H30N2O5S |
334 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N | 335 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N |
335 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C | 336 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C |
336 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 337 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
337 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 338 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
338 IONIZATION: ESI+ | 339 IONIZATION: ESI+ |
339 LICENSE: CC BY-NC | 340 LICENSE: CC BY-NC |
340 COMPOUND_NAME: Benfuracarb | |
341 RETENTION_TIME: 7.163228 | 341 RETENTION_TIME: 7.163228 |
342 PRECURSOR_MZ: 411.1956 | 342 PRECURSOR_MZ: 411.1956 |
343 ADDUCT: [M+H]+ | 343 ADDUCT: [M+H]+ |
344 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 344 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
345 NUM PEAKS: 22 | 345 NUM PEAKS: 22 |
346 90.03748 30498.0 | 346 90.03748 30498.0 |
347 102.00096 69259.0 | 347 102.00096 69259.0 |
348 109.02874 31641.0 | 348 109.02874 31641.0 |
349 111.08049 29319.0 | 349 111.08049 29319.0 |
350 112.07591 44046.0 | 350 112.07591 44046.0 |
351 115.05431 43630.0 | 351 115.05431 43630.0 |
352 116.07085 30236.0 | 352 116.07085 30236.0 |
353 125.00558 53990.0 | 353 125.00558 53990.0 |
354 133.0649 58728.0 | 354 133.0649 58728.0 |
355 137.05998 23811.0 | 355 137.05998 23811.0 |
356 143.04921 51685.0 | 356 143.04921 51685.0 |
357 144.05734 107852.0 | 357 144.05734 107852.0 |
358 149.04198 61180.0 | 358 149.04198 61180.0 |
359 153.0369 175741.0 | 359 153.0369 175741.0 |
360 158.11797 70456.0 | 360 158.11797 70456.0 |
361 161.06012 99721.0 | 361 161.06012 99721.0 |
362 162.0676 971826.0 | 362 162.0676 971826.0 |
363 167.01654 45521.0 | 363 167.01654 45521.0 |
364 167.05246 131346.0 | 364 167.05246 131346.0 |
365 171.0114 23364.0 | 365 171.0114 23364.0 |
366 177.03709 172641.0 | 366 177.03709 172641.0 |
367 195.04765 2265269.0 | 367 195.04765 2265269.0 |
368 | 368 |
369 COMPOUND_NAME: Butoxycarboxim | |
369 SCANNUMBER: 1209 | 370 SCANNUMBER: 1209 |
370 IONMODE: positive | 371 IONMODE: positive |
371 SPECTRUMTYPE: Centroid | 372 SPECTRUMTYPE: Centroid |
372 FORMULA: C7H14N2O4S | 373 FORMULA: C7H14N2O4S |
373 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N | 374 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N |
374 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O | 375 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O |
375 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 376 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
376 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 377 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
377 IONIZATION: ESI+ | 378 IONIZATION: ESI+ |
378 LICENSE: CC BY-NC | 379 LICENSE: CC BY-NC |
379 COMPOUND_NAME: Butoxycarboxim | |
380 RETENTION_TIME: 1.483623 | 380 RETENTION_TIME: 1.483623 |
381 PRECURSOR_MZ: 223.075 | 381 PRECURSOR_MZ: 223.075 |
382 ADDUCT: [M+H]+ | 382 ADDUCT: [M+H]+ |
383 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 383 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
384 NUM PEAKS: 9 | 384 NUM PEAKS: 9 |
385 86.06018 763151.0 | 385 86.06018 763151.0 |
386 106.03234 330646.0 | 386 106.03234 330646.0 |
387 120.04782 16624.0 | 387 120.04782 16624.0 |
388 148.03964 11931.0 | 388 148.03964 11931.0 |
389 148.04301 1170924.0 | 389 148.04301 1170924.0 |
390 166.05334 738329.0 | 390 166.05334 738329.0 |
391 208.9567 12192.0 | 391 208.9567 12192.0 |
392 223.06381 99297.0 | 392 223.06381 99297.0 |
393 223.07454 90546.0 | 393 223.07454 90546.0 |
394 | 394 |
395 COMPOUND_NAME: Furathiocarb | |
395 SCANNUMBER: 4928 | 396 SCANNUMBER: 4928 |
396 IONMODE: positive | 397 IONMODE: positive |
397 SPECTRUMTYPE: Centroid | 398 SPECTRUMTYPE: Centroid |
398 FORMULA: C18H26N2O5S | 399 FORMULA: C18H26N2O5S |
399 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N | 400 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N |
400 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C | 401 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C |
401 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 402 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
402 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 403 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
403 IONIZATION: ESI+ | 404 IONIZATION: ESI+ |
404 LICENSE: CC BY-NC | 405 LICENSE: CC BY-NC |
405 COMPOUND_NAME: Furathiocarb | |
406 RETENTION_TIME: 7.19165 | 406 RETENTION_TIME: 7.19165 |
407 PRECURSOR_MZ: 383.1642 | 407 PRECURSOR_MZ: 383.1642 |
408 ADDUCT: [M+H]+ | 408 ADDUCT: [M+H]+ |
409 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 409 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
410 NUM PEAKS: 49 | 410 NUM PEAKS: 49 |
411 87.02665 170322.0 | 411 87.02665 170322.0 |
412 90.03748 426298.0 | 412 90.03748 426298.0 |
413 91.05442 232061.0 | 413 91.05442 232061.0 |
414 95.04954 175219.0 | 414 95.04954 175219.0 |
415 97.01102 504855.0 | 415 97.01102 504855.0 |
416 105.0702 848188.0 | 416 105.0702 848188.0 |
417 107.04936 404555.0 | 417 107.04936 404555.0 |
418 107.08593 329012.0 | 418 107.08593 329012.0 |
419 109.02874 370826.0 | 419 109.02874 370826.0 |
420 109.0651 289619.0 | 420 109.0651 289619.0 |
421 111.0808 200502.0 | 421 111.0808 200502.0 |
422 115.05464 651489.0 | 422 115.05464 651489.0 |
423 116.06246 367386.0 | 423 116.06246 367386.0 |
424 117.07032 300497.0 | 424 117.07032 300497.0 |
425 118.07793 135317.0 | 425 118.07793 135317.0 |
426 121.06524 216247.0 | 426 121.06524 216247.0 |
427 122.03665 593314.0 | 427 122.03665 593314.0 |
428 123.04434 862460.0 | 428 123.04434 862460.0 |
429 125.00596 4842440.0 | 429 125.00596 4842440.0 |
430 131.04935 572523.0 | 430 131.04935 572523.0 |
431 133.0649 1461373.0 | 431 133.0649 1461373.0 |
432 134.01871 277355.0 | 432 134.01871 277355.0 |
433 134.07285 254631.0 | 433 134.07285 254631.0 |
434 135.08093 991426.0 | 434 135.08093 991426.0 |
435 137.05998 186090.0 | 435 137.05998 186090.0 |
436 139.02167 356706.0 | 436 139.02167 356706.0 |
437 139.05775 475631.0 | 437 139.05775 475631.0 |
438 143.04967 427124.0 | 438 143.04967 427124.0 |
439 144.05734 1163702.0 | 439 144.05734 1163702.0 |
440 145.0649 273080.0 | 440 145.0649 273080.0 |
441 146.07314 822073.0 | 441 146.07314 822073.0 |
442 147.04451 460929.0 | 442 147.04451 460929.0 |
443 147.08089 234097.0 | 443 147.08089 234097.0 |
444 149.00584 154496.0 | 444 149.00584 154496.0 |
445 149.04247 1446405.0 | 445 149.04247 1446405.0 |
446 149.06004 3536863.0 | 446 149.06004 3536863.0 |
447 153.00082 192002.0 | 447 153.00082 192002.0 |
448 153.0374 1282857.0 | 448 153.0374 1282857.0 |
449 161.06012 1492726.0 | 449 161.06012 1492726.0 |
450 162.0676 9461931.0 | 450 162.0676 9461931.0 |
451 163.07562 216378.0 | 451 163.07562 216378.0 |
452 164.08348 6924294.0 | 452 164.08348 6924294.0 |
453 165.09103 228313.0 | 453 165.09103 228313.0 |
454 167.01654 354658.0 | 454 167.01654 354658.0 |
455 167.05304 10929155.0 | 455 167.05304 10929155.0 |
456 171.0114 128914.0 | 456 171.0114 128914.0 |
457 177.03709 3978125.0 | 457 177.03709 3978125.0 |
458 180.02414 213051.0 | 458 180.02414 213051.0 |
459 195.04765 11849349.0 | 459 195.04765 11849349.0 |
460 | 460 |
461 COMPOUND_NAME: Methabenzthiazuron | |
461 SCANNUMBER: 3333 | 462 SCANNUMBER: 3333 |
462 IONMODE: positive | 463 IONMODE: positive |
463 SPECTRUMTYPE: Centroid | 464 SPECTRUMTYPE: Centroid |
464 FORMULA: C10H11N3OS | 465 FORMULA: C10H11N3OS |
465 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N | 466 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N |
466 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O | 467 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O |
467 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 468 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
468 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 469 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
469 IONIZATION: ESI+ | 470 IONIZATION: ESI+ |
470 LICENSE: CC BY-NC | 471 LICENSE: CC BY-NC |
471 COMPOUND_NAME: Methabenzthiazuron | |
472 RETENTION_TIME: 6.711947 | 472 RETENTION_TIME: 6.711947 |
473 PRECURSOR_MZ: 222.0702 | 473 PRECURSOR_MZ: 222.0702 |
474 ADDUCT: [M+H]+ | 474 ADDUCT: [M+H]+ |
475 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 475 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
476 NUM PEAKS: 8 | 476 NUM PEAKS: 8 |
477 92.0498 456372.0 | 477 92.0498 456372.0 |
478 109.01102 367319.0 | 478 109.01102 367319.0 |
479 123.01394 375280.0 | 479 123.01394 375280.0 |
480 124.02193 2568680.0 | 480 124.02193 2568680.0 |
481 132.06825 123566.0 | 481 132.06825 123566.0 |
482 150.02492 9399192.0 | 482 150.02492 9399192.0 |
483 163.03316 152108.0 | 483 163.03316 152108.0 |
484 165.04836 9598566.0 | 484 165.04836 9598566.0 |
485 | 485 |
486 COMPOUND_NAME: Tebuthiuron | |
486 SCANNUMBER: 1984 | 487 SCANNUMBER: 1984 |
487 IONMODE: positive | 488 IONMODE: positive |
488 SPECTRUMTYPE: Centroid | 489 SPECTRUMTYPE: Centroid |
489 FORMULA: C9H16N4OS | 490 FORMULA: C9H16N4OS |
490 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N | 491 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N |
491 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O | 492 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O |
492 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 493 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
493 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 494 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
494 IONIZATION: ESI+ | 495 IONIZATION: ESI+ |
495 LICENSE: CC BY-NC | 496 LICENSE: CC BY-NC |
496 COMPOUND_NAME: Tebuthiuron | |
497 RETENTION_TIME: 4.241355 | 497 RETENTION_TIME: 4.241355 |
498 PRECURSOR_MZ: 229.1121 | 498 PRECURSOR_MZ: 229.1121 |
499 ADDUCT: [M+H]+ | 499 ADDUCT: [M+H]+ |
500 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 500 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
501 NUM PEAKS: 9 | 501 NUM PEAKS: 9 |
502 88.0219 230604.0 | 502 88.0219 230604.0 |
503 89.01719 2030070.0 | 503 89.01719 2030070.0 |
504 101.04233 435137.0 | 504 101.04233 435137.0 |
505 116.0279 20609154.0 | 505 116.0279 20609154.0 |
506 141.04826 319289.0 | 506 141.04826 319289.0 |
507 142.04346 1851694.0 | 507 142.04346 1851694.0 |
508 156.05936 1133851.0 | 508 156.05936 1133851.0 |
509 157.06721 6762498.0 | 509 157.06721 6762498.0 |
510 172.09081 12592908.0 | 510 172.09081 12592908.0 |
511 | 511 |
512 COMPOUND_NAME: Thidiazuron | |
512 SCANNUMBER: 2185 | 513 SCANNUMBER: 2185 |
513 IONMODE: positive | 514 IONMODE: positive |
514 SPECTRUMTYPE: Centroid | 515 SPECTRUMTYPE: Centroid |
515 FORMULA: C9H8N4OS | 516 FORMULA: C9H8N4OS |
516 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N | 517 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N |
517 SMILES: OC(=Nc1ccccc1)Nc1cnns1 | 518 SMILES: OC(=Nc1ccccc1)Nc1cnns1 |
518 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 519 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
519 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 520 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
520 IONIZATION: ESI+ | 521 IONIZATION: ESI+ |
521 LICENSE: CC BY-NC | 522 LICENSE: CC BY-NC |
522 COMPOUND_NAME: Thidiazuron | |
523 RETENTION_TIME: 4.909884 | 523 RETENTION_TIME: 4.909884 |
524 PRECURSOR_MZ: 221.0497 | 524 PRECURSOR_MZ: 221.0497 |
525 ADDUCT: [M+H]+ | 525 ADDUCT: [M+H]+ |
526 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 526 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
527 NUM PEAKS: 7 | 527 NUM PEAKS: 7 |
528 92.04957 154355.0 | 528 92.04957 154355.0 |
529 94.0652 188105.0 | 529 94.0652 188105.0 |
530 95.04929 172328.0 | 530 95.04929 172328.0 |
531 102.0123 2547264.0 | 531 102.0123 2547264.0 |
532 105.04477 127605.0 | 532 105.04477 127605.0 |
533 120.04464 76344.0 | 533 120.04464 76344.0 |
534 127.99126 615346.0 | 534 127.99126 615346.0 |
535 | 535 |
536 COMPOUND_NAME: Ethiofencarb | |
536 SCANNUMBER: 2307 | 537 SCANNUMBER: 2307 |
537 IONMODE: positive | 538 IONMODE: positive |
538 SPECTRUMTYPE: Centroid | 539 SPECTRUMTYPE: Centroid |
539 FORMULA: C11H15NO2S | 540 FORMULA: C11H15NO2S |
540 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N | 541 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N |
541 SMILES: CCSCc1ccccc1OC(=NC)O | 542 SMILES: CCSCc1ccccc1OC(=NC)O |
542 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 543 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
543 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 544 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
544 IONIZATION: ESI+ | 545 IONIZATION: ESI+ |
545 LICENSE: CC BY-NC | 546 LICENSE: CC BY-NC |
546 COMPOUND_NAME: Ethiofencarb | |
547 RETENTION_TIME: 5.074083 | 547 RETENTION_TIME: 5.074083 |
548 PRECURSOR_MZ: 226.09 | 548 PRECURSOR_MZ: 226.09 |
549 ADDUCT: [M+H]+ | 549 ADDUCT: [M+H]+ |
550 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 550 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
551 NUM PEAKS: 6 | 551 NUM PEAKS: 6 |
552 95.04929 42106.0 | 552 95.04929 42106.0 |
553 105.04477 32913.0 | 553 105.04477 32913.0 |
554 107.04936 243964.0 | 554 107.04936 243964.0 |
555 120.08101 4266.0 | 555 120.08101 4266.0 |
556 134.0966 5759.0 | 556 134.0966 5759.0 |
557 147.93529 2678.0 | 557 147.93529 2678.0 |
558 | 558 |
559 COMPOUND_NAME: Methiocarb | |
559 SCANNUMBER: 2724 | 560 SCANNUMBER: 2724 |
560 IONMODE: positive | 561 IONMODE: positive |
561 SPECTRUMTYPE: Centroid | 562 SPECTRUMTYPE: Centroid |
562 FORMULA: C11H15NO2S | 563 FORMULA: C11H15NO2S |
563 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N | 564 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N |
564 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O | 565 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O |
565 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 566 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
566 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 567 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
567 IONIZATION: ESI+ | 568 IONIZATION: ESI+ |
568 LICENSE: CC BY-NC | 569 LICENSE: CC BY-NC |
569 COMPOUND_NAME: Methiocarb | |
570 RETENTION_TIME: 6.352629 | 570 RETENTION_TIME: 6.352629 |
571 PRECURSOR_MZ: 226.0899 | 571 PRECURSOR_MZ: 226.0899 |
572 ADDUCT: [M+H]+ | 572 ADDUCT: [M+H]+ |
573 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 573 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
574 NUM PEAKS: 4 | 574 NUM PEAKS: 4 |
575 121.06488 799606.0 | 575 121.06488 799606.0 |
576 122.07284 96691.0 | 576 122.07284 96691.0 |
577 169.06853 4882474.0 | 577 169.06853 4882474.0 |
578 226.08951 145633.0 | 578 226.08951 145633.0 |
579 | 579 |
580 COMPOUND_NAME: Carbofuran | |
580 SCANNUMBER: 1753 | 581 SCANNUMBER: 1753 |
581 IONMODE: positive | 582 IONMODE: positive |
582 SPECTRUMTYPE: Centroid | 583 SPECTRUMTYPE: Centroid |
583 FORMULA: C12H15NO3 | 584 FORMULA: C12H15NO3 |
584 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N | 585 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N |
585 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O | 586 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O |
586 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 587 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
587 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 588 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
588 IONIZATION: ESI+ | 589 IONIZATION: ESI+ |
589 LICENSE: CC BY-NC | 590 LICENSE: CC BY-NC |
590 COMPOUND_NAME: Carbofuran | |
591 RETENTION_TIME: 4.14677 | 591 RETENTION_TIME: 4.14677 |
592 PRECURSOR_MZ: 222.1128 | 592 PRECURSOR_MZ: 222.1128 |
593 ADDUCT: [M+H]+ | 593 ADDUCT: [M+H]+ |
594 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 594 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
595 NUM PEAKS: 10 | 595 NUM PEAKS: 10 |
596 91.05442 804154.0 | 596 91.05442 804154.0 |
597 95.04929 737907.0 | 597 95.04929 737907.0 |
598 105.03379 225770.0 | 598 105.03379 225770.0 |
599 105.04506 153330.0 | 599 105.04506 153330.0 |
600 111.04436 105844.0 | 600 111.04436 105844.0 |
601 119.04944 164758.0 | 601 119.04944 164758.0 |
602 119.0857 227890.0 | 602 119.0857 227890.0 |
603 123.04434 10121862.0 | 603 123.04434 10121862.0 |
604 137.05997 448261.0 | 604 137.05997 448261.0 |
605 147.08089 104307.0 | 605 147.08089 104307.0 |
606 | 606 |
607 COMPOUND_NAME: Chloroxuron | |
607 SCANNUMBER: 4866 | 608 SCANNUMBER: 4866 |
608 IONMODE: positive | 609 IONMODE: positive |
609 SPECTRUMTYPE: Centroid | 610 SPECTRUMTYPE: Centroid |
610 FORMULA: C15H15N2O2Cl | 611 FORMULA: C15H15N2O2Cl |
611 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N | 612 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N |
612 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C | 613 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C |
613 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 614 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
614 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 615 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
615 IONIZATION: ESI+ | 616 IONIZATION: ESI+ |
616 LICENSE: CC BY-NC | 617 LICENSE: CC BY-NC |
617 COMPOUND_NAME: Chloroxuron | |
618 RETENTION_TIME: 6.824893 | 618 RETENTION_TIME: 6.824893 |
619 PRECURSOR_MZ: 291.09 | 619 PRECURSOR_MZ: 291.09 |
620 ADDUCT: [M+H]+ | 620 ADDUCT: [M+H]+ |
621 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 621 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
622 NUM PEAKS: 34 | 622 NUM PEAKS: 34 |
623 94.04169 27706.0 | 623 94.04169 27706.0 |
624 98.99973 58512.0 | 624 98.99973 58512.0 |
625 106.06546 243512.0 | 625 106.06546 243512.0 |
626 118.06519 562204.0 | 626 118.06519 562204.0 |
627 119.07315 45536.0 | 627 119.07315 45536.0 |
628 120.081 78773.0 | 628 120.081 78773.0 |
629 126.99488 83528.0 | 629 126.99488 83528.0 |
630 128.06239 310868.0 | 630 128.06239 310868.0 |
631 129.01042 87060.0 | 631 129.01042 87060.0 |
632 139.00583 288886.0 | 632 139.00583 288886.0 |
633 145.0649 99810.0 | 633 145.0649 99810.0 |
634 146.06033 24021.0 | 634 146.06033 24021.0 |
635 147.06796 35662.0 | 635 147.06796 35662.0 |
636 149.01559 36207.0 | 636 149.01559 36207.0 |
637 152.00261 21619.0 | 637 152.00261 21619.0 |
638 154.06534 101982.0 | 638 154.06534 101982.0 |
639 155.06065 198243.0 | 639 155.06065 198243.0 |
640 155.07309 108829.0 | 640 155.07309 108829.0 |
641 163.03091 1196885.0 | 641 163.03091 1196885.0 |
642 163.08679 138657.0 | 642 163.08679 138657.0 |
643 164.09476 19883.0 | 643 164.09476 19883.0 |
644 168.05711 61850.0 | 644 168.05711 61850.0 |
645 173.50755 33783.0 | 645 173.50755 33783.0 |
646 175.03131 42262.0 | 646 175.03131 42262.0 |
647 182.05989 34322.0 | 647 182.05989 34322.0 |
648 183.06813 160230.0 | 648 183.06813 160230.0 |
649 190.04181 279261.0 | 649 190.04181 279261.0 |
650 191.02574 49125.0 | 650 191.02574 49125.0 |
651 211.06313 28451.0 | 651 211.06313 28451.0 |
652 218.03699 1977628.0 | 652 218.03699 1977628.0 |
653 219.04449 20961.0 | 653 219.04449 20961.0 |
654 233.15379 75598.0 | 654 233.15379 75598.0 |
655 246.03224 40845.0 | 655 246.03224 40845.0 |
656 249.18484 96150.0 | 656 249.18484 96150.0 |
657 | 657 |
658 COMPOUND_NAME: Chlortoluron | |
658 SCANNUMBER: 2586 | 659 SCANNUMBER: 2586 |
659 IONMODE: positive | 660 IONMODE: positive |
660 SPECTRUMTYPE: Centroid | 661 SPECTRUMTYPE: Centroid |
661 FORMULA: C10H13N2OCl | 662 FORMULA: C10H13N2OCl |
662 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N | 663 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N |
663 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C | 664 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C |
664 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 665 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
665 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 666 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
666 IONIZATION: ESI+ | 667 IONIZATION: ESI+ |
667 LICENSE: CC BY-NC | 668 LICENSE: CC BY-NC |
668 COMPOUND_NAME: Chlortoluron | |
669 RETENTION_TIME: 5.193264 | 669 RETENTION_TIME: 5.193264 |
670 PRECURSOR_MZ: 213.0795 | 670 PRECURSOR_MZ: 213.0795 |
671 ADDUCT: [M+H]+ | 671 ADDUCT: [M+H]+ |
672 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 672 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
673 NUM PEAKS: 14 | 673 NUM PEAKS: 14 |
674 89.03883 57032.0 | 674 89.03883 57032.0 |
675 95.04929 125786.0 | 675 95.04929 125786.0 |
676 96.04461 17062.0 | 676 96.04461 17062.0 |
677 98.99973 31149.0 | 677 98.99973 31149.0 |
678 104.04956 355337.0 | 678 104.04956 355337.0 |
679 105.04477 72262.0 | 679 105.04477 72262.0 |
680 105.05748 49060.0 | 680 105.05748 49060.0 |
681 113.01541 282031.0 | 681 113.01541 282031.0 |
682 125.01533 380427.0 | 682 125.01533 380427.0 |
683 132.04463 44913.0 | 683 132.04463 44913.0 |
684 133.05254 86668.0 | 684 133.05254 86668.0 |
685 140.02612 1662428.0 | 685 140.02612 1662428.0 |
686 153.02165 91587.0 | 686 153.02165 91587.0 |
687 168.02145 83345.0 | 687 168.02145 83345.0 |
688 | 688 |
689 COMPOUND_NAME: Cycluron | |
689 SCANNUMBER: 2273 | 690 SCANNUMBER: 2273 |
690 IONMODE: positive | 691 IONMODE: positive |
691 SPECTRUMTYPE: Centroid | 692 SPECTRUMTYPE: Centroid |
692 FORMULA: C11H22N2O | 693 FORMULA: C11H22N2O |
693 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N | 694 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N |
694 SMILES: CN(C(=NC1CCCCCCC1)O)C | 695 SMILES: CN(C(=NC1CCCCCCC1)O)C |
695 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 696 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
696 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 697 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
697 IONIZATION: ESI+ | 698 IONIZATION: ESI+ |
698 LICENSE: CC BY-NC | 699 LICENSE: CC BY-NC |
699 COMPOUND_NAME: Cycluron | |
700 RETENTION_TIME: 5.00998 | 700 RETENTION_TIME: 5.00998 |
701 PRECURSOR_MZ: 199.1809 | 701 PRECURSOR_MZ: 199.1809 |
702 ADDUCT: [M+H]+ | 702 ADDUCT: [M+H]+ |
703 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 703 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
704 NUM PEAKS: 4 | 704 NUM PEAKS: 4 |
705 89.07108 1303776.0 | 705 89.07108 1303776.0 |
706 111.11694 18709.0 | 706 111.11694 18709.0 |
707 147.92079 14411.0 | 707 147.92079 14411.0 |
708 147.93768 15209.0 | 708 147.93768 15209.0 |
709 | 709 |
710 COMPOUND_NAME: Diethofencarb | |
710 SCANNUMBER: 3582 | 711 SCANNUMBER: 3582 |
711 IONMODE: positive | 712 IONMODE: positive |
712 SPECTRUMTYPE: Centroid | 713 SPECTRUMTYPE: Centroid |
713 FORMULA: C14H21NO4 | 714 FORMULA: C14H21NO4 |
714 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N | 715 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N |
715 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O | 716 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O |
716 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 717 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
717 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 718 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
718 IONIZATION: ESI+ | 719 IONIZATION: ESI+ |
719 LICENSE: CC BY-NC | 720 LICENSE: CC BY-NC |
720 COMPOUND_NAME: Diethofencarb | |
721 RETENTION_TIME: 6.124817 | 721 RETENTION_TIME: 6.124817 |
722 PRECURSOR_MZ: 268.1547 | 722 PRECURSOR_MZ: 268.1547 |
723 ADDUCT: [M+H]+ | 723 ADDUCT: [M+H]+ |
724 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 724 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
725 NUM PEAKS: 7 | 725 NUM PEAKS: 7 |
726 152.07103 98482.0 | 726 152.07103 98482.0 |
727 180.06563 117586.0 | 727 180.06563 117586.0 |
728 180.10194 441784.0 | 728 180.10194 441784.0 |
729 198.0762 507187.0 | 729 198.0762 507187.0 |
730 208.09682 172166.0 | 730 208.09682 172166.0 |
731 226.10776 6612320.0 | 731 226.10776 6612320.0 |
732 268.15411 115526.0 | 732 268.15411 115526.0 |
733 | 733 |
734 COMPOUND_NAME: Diflubenzuron | |
734 SCANNUMBER: 5619 | 735 SCANNUMBER: 5619 |
735 IONMODE: positive | 736 IONMODE: positive |
736 SPECTRUMTYPE: Centroid | 737 SPECTRUMTYPE: Centroid |
737 FORMULA: C14H9N2O2ClF2 | 738 FORMULA: C14H9N2O2ClF2 |
738 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N | 739 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N |
739 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O | 740 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O |
740 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 741 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
741 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 742 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
742 IONIZATION: ESI+ | 743 IONIZATION: ESI+ |
743 LICENSE: CC BY-NC | 744 LICENSE: CC BY-NC |
744 COMPOUND_NAME: Diflubenzuron | |
745 RETENTION_TIME: 6.959446 | 745 RETENTION_TIME: 6.959446 |
746 PRECURSOR_MZ: 311.0396 | 746 PRECURSOR_MZ: 311.0396 |
747 ADDUCT: [M+H]+ | 747 ADDUCT: [M+H]+ |
748 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 748 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
749 NUM PEAKS: 3 | 749 NUM PEAKS: 3 |
750 141.01498 340685.0 | 750 141.01498 340685.0 |
751 158.04167 9035608.0 | 751 158.04167 9035608.0 |
752 311.03952 2283440.0 | 752 311.03952 2283440.0 |
753 | 753 |
754 COMPOUND_NAME: Diuron | |
754 SCANNUMBER: 3192 | 755 SCANNUMBER: 3192 |
755 IONMODE: positive | 756 IONMODE: positive |
756 SPECTRUMTYPE: Centroid | 757 SPECTRUMTYPE: Centroid |
757 FORMULA: C9H10N2OCl2 | 758 FORMULA: C9H10N2OCl2 |
758 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N | 759 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N |
759 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C | 760 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C |
760 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 761 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
761 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 762 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
762 IONIZATION: ESI+ | 763 IONIZATION: ESI+ |
763 LICENSE: CC BY-NC | 764 LICENSE: CC BY-NC |
764 COMPOUND_NAME: Diuron | |
765 RETENTION_TIME: 5.711479 | 765 RETENTION_TIME: 5.711479 |
766 PRECURSOR_MZ: 233.0248 | 766 PRECURSOR_MZ: 233.0248 |
767 ADDUCT: [M+H]+ | 767 ADDUCT: [M+H]+ |
768 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 768 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
769 NUM PEAKS: 8 | 769 NUM PEAKS: 8 |
770 123.99487 30141.0 | 770 123.99487 30141.0 |
771 125.00295 82231.0 | 771 125.00295 82231.0 |
772 132.96072 233186.0 | 772 132.96072 233186.0 |
773 151.03258 25890.0 | 773 151.03258 25890.0 |
774 152.99777 66942.0 | 774 152.99777 66942.0 |
775 159.97182 940217.0 | 775 159.97182 940217.0 |
776 172.96721 73012.0 | 776 172.96721 73012.0 |
777 187.96654 38425.0 | 777 187.96654 38425.0 |
778 | 778 |
779 COMPOUND_NAME: Dioxacarb | |
779 SCANNUMBER: 1320 | 780 SCANNUMBER: 1320 |
780 IONMODE: positive | 781 IONMODE: positive |
781 SPECTRUMTYPE: Centroid | 782 SPECTRUMTYPE: Centroid |
782 FORMULA: C11H13NO4 | 783 FORMULA: C11H13NO4 |
783 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N | 784 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N |
784 SMILES: CN=C(Oc1ccccc1C1OCCO1)O | 785 SMILES: CN=C(Oc1ccccc1C1OCCO1)O |
785 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 786 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
786 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 787 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
787 IONIZATION: ESI+ | 788 IONIZATION: ESI+ |
788 LICENSE: CC BY-NC | 789 LICENSE: CC BY-NC |
789 COMPOUND_NAME: Dioxacarb | |
790 RETENTION_TIME: 2.808769 | 790 RETENTION_TIME: 2.808769 |
791 PRECURSOR_MZ: 224.092 | 791 PRECURSOR_MZ: 224.092 |
792 ADDUCT: [M+H]+ | 792 ADDUCT: [M+H]+ |
793 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 793 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
794 NUM PEAKS: 6 | 794 NUM PEAKS: 6 |
795 95.04929 26554.0 | 795 95.04929 26554.0 |
796 123.04434 805609.0 | 796 123.04434 805609.0 |
797 162.05486 264649.0 | 797 162.05486 264649.0 |
798 167.07042 1519113.0 | 798 167.07042 1519113.0 |
799 208.95668 21966.0 | 799 208.95668 21966.0 |
800 224.12801 18664.0 | 800 224.12801 18664.0 |
801 | 801 |
802 COMPOUND_NAME: Bendiocarb | |
802 SCANNUMBER: 1667 | 803 SCANNUMBER: 1667 |
803 IONMODE: positive | 804 IONMODE: positive |
804 SPECTRUMTYPE: Centroid | 805 SPECTRUMTYPE: Centroid |
805 FORMULA: C11H13NO4 | 806 FORMULA: C11H13NO4 |
806 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N | 807 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N |
807 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O | 808 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O |
808 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 809 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
809 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 810 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
810 IONIZATION: ESI+ | 811 IONIZATION: ESI+ |
811 LICENSE: CC BY-NC | 812 LICENSE: CC BY-NC |
812 COMPOUND_NAME: Bendiocarb | |
813 RETENTION_TIME: 4.036841 | 813 RETENTION_TIME: 4.036841 |
814 PRECURSOR_MZ: 224.092 | 814 PRECURSOR_MZ: 224.092 |
815 ADDUCT: [M+H]+ | 815 ADDUCT: [M+H]+ |
816 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 816 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
817 NUM PEAKS: 4 | 817 NUM PEAKS: 4 |
818 109.02843 576717.0 | 818 109.02843 576717.0 |
819 167.07042 2075283.0 | 819 167.07042 2075283.0 |
820 224.092 50305.0 | 820 224.092 50305.0 |
821 224.12801 22894.0 | 821 224.12801 22894.0 |
822 | 822 |
823 COMPOUND_NAME: Fenobucarb | |
823 SCANNUMBER: 2735 | 824 SCANNUMBER: 2735 |
824 IONMODE: positive | 825 IONMODE: positive |
825 SPECTRUMTYPE: Centroid | 826 SPECTRUMTYPE: Centroid |
826 FORMULA: C12H17NO2 | 827 FORMULA: C12H17NO2 |
827 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N | 828 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N |
828 SMILES: CCC(c1ccccc1OC(=NC)O)C | 829 SMILES: CCC(c1ccccc1OC(=NC)O)C |
829 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 830 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
830 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 831 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
831 IONIZATION: ESI+ | 832 IONIZATION: ESI+ |
832 LICENSE: CC BY-NC | 833 LICENSE: CC BY-NC |
833 COMPOUND_NAME: Fenobucarb | |
834 RETENTION_TIME: 5.279047 | 834 RETENTION_TIME: 5.279047 |
835 PRECURSOR_MZ: 208.1339 | 835 PRECURSOR_MZ: 208.1339 |
836 ADDUCT: [M+H]+ | 836 ADDUCT: [M+H]+ |
837 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 837 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
838 NUM PEAKS: 5 | 838 NUM PEAKS: 5 |
839 95.04929 2304002.0 | 839 95.04929 2304002.0 |
840 151.1118 339052.0 | 840 151.1118 339052.0 |
841 152.07103 1283617.0 | 841 152.07103 1283617.0 |
842 208.13309 261671.0 | 842 208.13309 261671.0 |
843 208.15242 67196.0 | 843 208.15242 67196.0 |
844 | 844 |
845 COMPOUND_NAME: Flufenoxuron | |
845 SCANNUMBER: 7794 | 846 SCANNUMBER: 7794 |
846 IONMODE: positive | 847 IONMODE: positive |
847 SPECTRUMTYPE: Centroid | 848 SPECTRUMTYPE: Centroid |
848 FORMULA: C21H11N2O3ClF6 | 849 FORMULA: C21H11N2O3ClF6 |
849 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N | 850 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N |
850 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O | 851 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O |
851 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 852 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
852 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 853 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
853 IONIZATION: ESI+ | 854 IONIZATION: ESI+ |
854 LICENSE: CC BY-NC | 855 LICENSE: CC BY-NC |
855 COMPOUND_NAME: Flufenoxuron | |
856 RETENTION_TIME: 7.258582 | 856 RETENTION_TIME: 7.258582 |
857 PRECURSOR_MZ: 489.044 | 857 PRECURSOR_MZ: 489.044 |
858 ADDUCT: [M+H]+ | 858 ADDUCT: [M+H]+ |
859 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 859 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
860 NUM PEAKS: 9 | 860 NUM PEAKS: 9 |
861 140.03102 198040.0 | 861 140.03102 198040.0 |
862 141.01498 8731300.0 | 862 141.01498 8731300.0 |
863 141.02489 125031.0 | 863 141.02489 125031.0 |
864 158.04167 5469943.0 | 864 158.04167 5469943.0 |
865 306.03055 226666.0 | 865 306.03055 226666.0 |
866 326.76685 460767.0 | 866 326.76685 460767.0 |
867 328.76389 301405.0 | 867 328.76389 301405.0 |
868 407.68225 401379.0 | 868 407.68225 401379.0 |
869 409.68002 103253.0 | 869 409.68002 103253.0 |
870 | 870 |
871 COMPOUND_NAME: Fluometuron | |
871 SCANNUMBER: 1879 | 872 SCANNUMBER: 1879 |
872 IONMODE: positive | 873 IONMODE: positive |
873 SPECTRUMTYPE: Centroid | 874 SPECTRUMTYPE: Centroid |
874 FORMULA: C10H11N2OF3 | 875 FORMULA: C10H11N2OF3 |
875 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N | 876 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N |
876 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C | 877 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C |
877 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 878 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
878 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 879 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
879 IONIZATION: ESI+ | 880 IONIZATION: ESI+ |
880 LICENSE: CC BY-NC | 881 LICENSE: CC BY-NC |
881 COMPOUND_NAME: Fluometuron | |
882 RETENTION_TIME: 4.295248 | 882 RETENTION_TIME: 4.295248 |
883 PRECURSOR_MZ: 233.0903 | 883 PRECURSOR_MZ: 233.0903 |
884 ADDUCT: [M+H]+ | 884 ADDUCT: [M+H]+ |
885 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 885 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
886 NUM PEAKS: 14 | 886 NUM PEAKS: 14 |
887 133.02617 72647.0 | 887 133.02617 72647.0 |
888 140.03056 412576.0 | 888 140.03056 412576.0 |
889 141.02579 30382.0 | 889 141.02579 30382.0 |
890 145.02599 1001995.0 | 890 145.02599 1001995.0 |
891 148.03093 43335.0 | 891 148.03093 43335.0 |
892 160.03375 16242.0 | 892 160.03375 16242.0 |
893 160.037 1435798.0 | 893 160.037 1435798.0 |
894 163.0365 19807.0 | 894 163.0365 19807.0 |
895 168.02554 576288.0 | 895 168.02554 576288.0 |
896 173.03194 272722.0 | 896 173.03194 272722.0 |
897 173.50755 34131.0 | 897 173.50755 34131.0 |
898 178.04784 113811.0 | 898 178.04784 113811.0 |
899 188.03226 109696.0 | 899 188.03226 109696.0 |
900 192.06305 82452.0 | 900 192.06305 82452.0 |
901 | 901 |
902 COMPOUND_NAME: Forchlorfenuron | |
902 SCANNUMBER: 3521 | 903 SCANNUMBER: 3521 |
903 IONMODE: positive | 904 IONMODE: positive |
904 SPECTRUMTYPE: Centroid | 905 SPECTRUMTYPE: Centroid |
905 FORMULA: C12H10N3OCl | 906 FORMULA: C12H10N3OCl |
906 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N | 907 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N |
907 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl | 908 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl |
908 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 909 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
909 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 910 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
910 IONIZATION: ESI+ | 911 IONIZATION: ESI+ |
911 LICENSE: CC BY-NC | 912 LICENSE: CC BY-NC |
912 COMPOUND_NAME: Forchlorfenuron | |
913 RETENTION_TIME: 6.068144 | 913 RETENTION_TIME: 6.068144 |
914 PRECURSOR_MZ: 248.0593 | 914 PRECURSOR_MZ: 248.0593 |
915 ADDUCT: [M+H]+ | 915 ADDUCT: [M+H]+ |
916 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 916 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
917 NUM PEAKS: 6 | 917 NUM PEAKS: 6 |
918 93.04498 1144138.0 | 918 93.04498 1144138.0 |
919 94.06544 222850.0 | 919 94.06544 222850.0 |
920 111.05567 15214406.0 | 920 111.05567 15214406.0 |
921 129.02182 20609304.0 | 921 129.02182 20609304.0 |
922 137.03458 1954463.0 | 922 137.03458 1954463.0 |
923 155.00107 2962225.0 | 923 155.00107 2962225.0 |
924 | 924 |
925 COMPOUND_NAME: 3-Hydroxycarbofuran | |
925 SCANNUMBER: 1109 | 926 SCANNUMBER: 1109 |
926 IONMODE: positive | 927 IONMODE: positive |
927 SPECTRUMTYPE: Centroid | 928 SPECTRUMTYPE: Centroid |
928 FORMULA: C12H15NO4 | 929 FORMULA: C12H15NO4 |
929 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N | 930 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N |
930 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O | 931 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O |
931 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 932 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
932 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 933 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
933 IONIZATION: ESI+ | 934 IONIZATION: ESI+ |
934 LICENSE: CC BY-NC | 935 LICENSE: CC BY-NC |
935 COMPOUND_NAME: 3-Hydroxycarbofuran | |
936 RETENTION_TIME: 2.534817 | 936 RETENTION_TIME: 2.534817 |
937 PRECURSOR_MZ: 238.1075 | 937 PRECURSOR_MZ: 238.1075 |
938 ADDUCT: [M+H]+ | 938 ADDUCT: [M+H]+ |
939 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 939 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
940 NUM PEAKS: 7 | 940 NUM PEAKS: 7 |
941 135.08051 61121.0 | 941 135.08051 61121.0 |
942 163.07562 1270756.0 | 942 163.07562 1270756.0 |
943 181.08611 3459316.0 | 943 181.08611 3459316.0 |
944 207.06541 67306.0 | 944 207.06541 67306.0 |
945 208.95668 38515.0 | 945 208.95668 38515.0 |
946 220.09669 446913.0 | 946 220.09669 446913.0 |
947 238.10802 398788.0 | 947 238.10802 398788.0 |
948 | 948 |
949 COMPOUND_NAME: Indoxacarb | |
949 SCANNUMBER: 7519 | 950 SCANNUMBER: 7519 |
950 IONMODE: positive | 951 IONMODE: positive |
951 SPECTRUMTYPE: Centroid | 952 SPECTRUMTYPE: Centroid |
952 FORMULA: C22H17N3O7ClF3 | 953 FORMULA: C22H17N3O7ClF3 |
953 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N | 954 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N |
954 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F | 955 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F |
955 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 956 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
956 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 957 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
957 IONIZATION: ESI+ | 958 IONIZATION: ESI+ |
958 LICENSE: CC BY-NC | 959 LICENSE: CC BY-NC |
959 COMPOUND_NAME: Indoxacarb | |
960 RETENTION_TIME: 7.23968 | 960 RETENTION_TIME: 7.23968 |
961 PRECURSOR_MZ: 528.0795 | 961 PRECURSOR_MZ: 528.0795 |
962 ADDUCT: [M+H]+ | 962 ADDUCT: [M+H]+ |
963 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 963 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
964 NUM PEAKS: 38 | 964 NUM PEAKS: 38 |
965 104.04956 303700.0 | 965 104.04956 303700.0 |
966 127.04175 99545.0 | 966 127.04175 99545.0 |
967 128.06201 117126.0 | 967 128.06201 117126.0 |
968 132.04463 290691.0 | 968 132.04463 290691.0 |
969 134.0237 264912.0 | 969 134.0237 264912.0 |
970 137.0152 94534.0 | 970 137.0152 94534.0 |
971 142.06526 75186.0 | 971 142.06526 75186.0 |
972 149.01559 214826.0 | 972 149.01559 214826.0 |
973 150.0106 1405054.0 | 973 150.0106 1405054.0 |
974 155.06065 232073.0 | 974 155.06065 232073.0 |
975 160.05058 254333.0 | 975 160.05058 254333.0 |
976 162.01057 1521152.0 | 976 162.01057 1521152.0 |
977 163.01862 86648.0 | 977 163.01862 86648.0 |
978 163.03091 132653.0 | 978 163.03091 132653.0 |
979 164.02652 208730.0 | 979 164.02652 208730.0 |
980 165.03412 90438.0 | 980 165.03412 90438.0 |
981 167.0258 357529.0 | 981 167.0258 357529.0 |
982 168.02145 1690027.0 | 982 168.02145 1690027.0 |
983 174.99464 101678.0 | 983 174.99464 101678.0 |
984 177.01054 92638.0 | 984 177.01054 92638.0 |
985 177.03394 231314.0 | 985 177.03394 231314.0 |
986 179.02611 358184.0 | 986 179.02611 358184.0 |
987 180.02089 413839.0 | 987 180.02089 413839.0 |
988 182.03682 119810.0 | 988 182.03682 119810.0 |
989 189.02151 643960.0 | 989 189.02151 643960.0 |
990 190.00526 1446936.0 | 990 190.00526 1446936.0 |
991 190.04744 486518.0 | 991 190.04744 486518.0 |
992 194.03688 93119.0 | 992 194.03688 93119.0 |
993 195.02061 551503.0 | 993 195.02061 551503.0 |
994 203.01863 7362278.0 | 994 203.01863 7362278.0 |
995 204.00897 308332.0 | 995 204.00897 308332.0 |
996 207.02065 269934.0 | 996 207.02065 269934.0 |
997 208.01628 221573.0 | 997 208.01628 221573.0 |
998 215.04312 81774.0 | 998 215.04312 81774.0 |
999 217.01668 489943.0 | 999 217.01668 489943.0 |
1000 218.04218 536326.0 | 1000 218.04218 536326.0 |
1001 219.03232 457473.0 | 1001 219.03232 457473.0 |
1002 223.01553 87858.0 | 1002 223.01553 87858.0 |
1003 | 1003 |
1004 COMPOUND_NAME: Iprovalicarb | |
1004 SCANNUMBER: 3798 | 1005 SCANNUMBER: 3798 |
1005 IONMODE: positive | 1006 IONMODE: positive |
1006 SPECTRUMTYPE: Centroid | 1007 SPECTRUMTYPE: Centroid |
1007 FORMULA: C18H28N2O3 | 1008 FORMULA: C18H28N2O3 |
1008 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N | 1009 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N |
1009 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C | 1010 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C |
1010 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1011 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1011 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1012 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1012 IONIZATION: ESI+ | 1013 IONIZATION: ESI+ |
1013 LICENSE: CC BY-NC | 1014 LICENSE: CC BY-NC |
1014 COMPOUND_NAME: Iprovalicarb | |
1015 RETENTION_TIME: 6.291288 | 1015 RETENTION_TIME: 6.291288 |
1016 PRECURSOR_MZ: 321.218 | 1016 PRECURSOR_MZ: 321.218 |
1017 ADDUCT: [M+H]+ | 1017 ADDUCT: [M+H]+ |
1018 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1018 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1019 NUM PEAKS: 9 | 1019 NUM PEAKS: 9 |
1020 116.07085 2061421.0 | 1020 116.07085 2061421.0 |
1021 117.10262 213026.0 | 1021 117.10262 213026.0 |
1022 119.0857 8088768.0 | 1022 119.0857 8088768.0 |
1023 144.06569 976637.0 | 1023 144.06569 976637.0 |
1024 158.11795 349762.0 | 1024 158.11795 349762.0 |
1025 161.09248 110448.0 | 1025 161.09248 110448.0 |
1026 186.11298 1809182.0 | 1026 186.11298 1809182.0 |
1027 203.13902 3619220.0 | 1027 203.13902 3619220.0 |
1028 321.21719 658523.0 | 1028 321.21719 658523.0 |
1029 | 1029 |
1030 COMPOUND_NAME: Isoproturon | |
1030 SCANNUMBER: 2221 | 1031 SCANNUMBER: 2221 |
1031 IONMODE: positive | 1032 IONMODE: positive |
1032 SPECTRUMTYPE: Centroid | 1033 SPECTRUMTYPE: Centroid |
1033 FORMULA: C12H18N2O | 1034 FORMULA: C12H18N2O |
1034 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N | 1035 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N |
1035 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C | 1036 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C |
1036 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1037 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1037 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1038 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1038 IONIZATION: ESI+ | 1039 IONIZATION: ESI+ |
1039 LICENSE: CC BY-NC | 1040 LICENSE: CC BY-NC |
1040 COMPOUND_NAME: Isoproturon | |
1041 RETENTION_TIME: 4.953308 | 1041 RETENTION_TIME: 4.953308 |
1042 PRECURSOR_MZ: 207.1494 | 1042 PRECURSOR_MZ: 207.1494 |
1043 ADDUCT: [M+H]+ | 1043 ADDUCT: [M+H]+ |
1044 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1044 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1045 NUM PEAKS: 27 | 1045 NUM PEAKS: 27 |
1046 91.05442 804905.0 | 1046 91.05442 804905.0 |
1047 92.04957 254047.0 | 1047 92.04957 254047.0 |
1048 93.0575 33128.0 | 1048 93.0575 33128.0 |
1049 93.07003 116103.0 | 1049 93.07003 116103.0 |
1050 94.06519 63492.0 | 1050 94.06519 63492.0 |
1051 95.04929 164116.0 | 1051 95.04929 164116.0 |
1052 103.05439 51947.0 | 1052 103.05439 51947.0 |
1053 104.0621 43995.0 | 1053 104.0621 43995.0 |
1054 105.04477 78368.0 | 1054 105.04477 78368.0 |
1055 105.06991 101627.0 | 1055 105.06991 101627.0 |
1056 106.06517 86652.0 | 1056 106.06517 86652.0 |
1057 107.08415 19657.0 | 1057 107.08415 19657.0 |
1058 107.08563 575392.0 | 1058 107.08563 575392.0 |
1059 108.08108 26529.0 | 1059 108.08108 26529.0 |
1060 109.0651 34575.0 | 1060 109.0651 34575.0 |
1061 115.05431 109513.0 | 1061 115.05431 109513.0 |
1062 117.06998 312366.0 | 1062 117.06998 312366.0 |
1063 118.06519 123299.0 | 1063 118.06519 123299.0 |
1064 119.0606 36796.0 | 1064 119.0606 36796.0 |
1065 119.07315 606574.0 | 1065 119.07315 606574.0 |
1066 120.04464 242145.0 | 1066 120.04464 242145.0 |
1067 132.08089 72884.0 | 1067 132.08089 72884.0 |
1068 134.0966 1730390.0 | 1068 134.0966 1730390.0 |
1069 137.09615 58215.0 | 1069 137.09615 58215.0 |
1070 147.0919 129941.0 | 1070 147.0919 129941.0 |
1071 162.09142 42617.0 | 1071 162.09142 42617.0 |
1072 165.10242 74899.0 | 1072 165.10242 74899.0 |
1073 | 1073 |
1074 COMPOUND_NAME: Linuron | |
1074 SCANNUMBER: 3991 | 1075 SCANNUMBER: 3991 |
1075 IONMODE: positive | 1076 IONMODE: positive |
1076 SPECTRUMTYPE: Centroid | 1077 SPECTRUMTYPE: Centroid |
1077 FORMULA: C9H10N2O2Cl2 | 1078 FORMULA: C9H10N2O2Cl2 |
1078 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N | 1079 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N |
1079 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C | 1080 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C |
1080 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1081 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1081 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1082 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1082 IONIZATION: ESI+ | 1083 IONIZATION: ESI+ |
1083 LICENSE: CC BY-NC | 1084 LICENSE: CC BY-NC |
1084 COMPOUND_NAME: Linuron | |
1085 RETENTION_TIME: 6.428301 | 1085 RETENTION_TIME: 6.428301 |
1086 PRECURSOR_MZ: 249.0202 | 1086 PRECURSOR_MZ: 249.0202 |
1087 ADDUCT: [M+H]+ | 1087 ADDUCT: [M+H]+ |
1088 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1088 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1089 NUM PEAKS: 17 | 1089 NUM PEAKS: 17 |
1090 123.99524 160993.0 | 1090 123.99524 160993.0 |
1091 125.00295 934482.0 | 1091 125.00295 934482.0 |
1092 126.01085 53171.0 | 1092 126.01085 53171.0 |
1093 127.0187 34132.0 | 1093 127.0187 34132.0 |
1094 132.96072 2098030.0 | 1094 132.96072 2098030.0 |
1095 133.96875 42332.0 | 1095 133.96875 42332.0 |
1096 142.00574 58394.0 | 1096 142.00574 58394.0 |
1097 153.02165 907640.0 | 1097 153.02165 907640.0 |
1098 154.02942 31975.0 | 1098 154.02942 31975.0 |
1099 159.97182 1453641.0 | 1099 159.97182 1453641.0 |
1100 160.97951 1564652.0 | 1100 160.97951 1564652.0 |
1101 165.02161 76894.0 | 1101 165.02161 76894.0 |
1102 167.0009 34764.0 | 1102 167.0009 34764.0 |
1103 173.98759 32777.0 | 1103 173.98759 32777.0 |
1104 181.0168 457538.0 | 1104 181.0168 457538.0 |
1105 182.02429 570846.0 | 1105 182.02429 570846.0 |
1106 216.99352 182540.0 | 1106 216.99352 182540.0 |
1107 | 1107 |
1108 COMPOUND_NAME: Metobromuron | |
1108 SCANNUMBER: 2948 | 1109 SCANNUMBER: 2948 |
1109 IONMODE: positive | 1110 IONMODE: positive |
1110 SPECTRUMTYPE: Centroid | 1111 SPECTRUMTYPE: Centroid |
1111 FORMULA: C9H11N2O2Br | 1112 FORMULA: C9H11N2O2Br |
1112 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N | 1113 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N |
1113 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C | 1114 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C |
1114 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1115 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1115 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1116 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1116 IONIZATION: ESI+ | 1117 IONIZATION: ESI+ |
1117 LICENSE: CC BY-NC | 1118 LICENSE: CC BY-NC |
1118 COMPOUND_NAME: Metobromuron | |
1119 RETENTION_TIME: 5.555997 | 1119 RETENTION_TIME: 5.555997 |
1120 PRECURSOR_MZ: 259.0081 | 1120 PRECURSOR_MZ: 259.0081 |
1121 ADDUCT: [M+H]+ | 1121 ADDUCT: [M+H]+ |
1122 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1122 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1123 NUM PEAKS: 15 | 1123 NUM PEAKS: 15 |
1124 90.03403 60649.0 | 1124 90.03403 60649.0 |
1125 91.04183 2389714.0 | 1125 91.04183 2389714.0 |
1126 92.04957 214805.0 | 1126 92.04957 214805.0 |
1127 93.0575 47461.0 | 1127 93.0575 47461.0 |
1128 110.06014 105724.0 | 1128 110.06014 105724.0 |
1129 119.0606 1438162.0 | 1129 119.0606 1438162.0 |
1130 120.06829 52547.0 | 1130 120.06829 52547.0 |
1131 131.06062 84354.0 | 1131 131.06062 84354.0 |
1132 142.94916 1281698.0 | 1132 142.94916 1281698.0 |
1133 147.05553 745419.0 | 1133 147.05553 745419.0 |
1134 148.06332 717928.0 | 1134 148.06332 717928.0 |
1135 169.95995 3654354.0 | 1135 169.95995 3654354.0 |
1136 170.96819 2866842.0 | 1136 170.96819 2866842.0 |
1137 183.97557 70285.0 | 1137 183.97557 70285.0 |
1138 226.98169 352678.0 | 1138 226.98169 352678.0 |
1139 | 1139 |
1140 COMPOUND_NAME: Monolinuron | |
1140 SCANNUMBER: 2345 | 1141 SCANNUMBER: 2345 |
1141 IONMODE: positive | 1142 IONMODE: positive |
1142 SPECTRUMTYPE: Centroid | 1143 SPECTRUMTYPE: Centroid |
1143 FORMULA: C9H11N2O2Cl | 1144 FORMULA: C9H11N2O2Cl |
1144 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N | 1145 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N |
1145 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C | 1146 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C |
1146 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1147 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1147 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1148 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1148 IONIZATION: ESI+ | 1149 IONIZATION: ESI+ |
1149 LICENSE: CC BY-NC | 1150 LICENSE: CC BY-NC |
1150 COMPOUND_NAME: Monolinuron | |
1151 RETENTION_TIME: 5.086284 | 1151 RETENTION_TIME: 5.086284 |
1152 PRECURSOR_MZ: 215.0587 | 1152 PRECURSOR_MZ: 215.0587 |
1153 ADDUCT: [M+H]+ | 1153 ADDUCT: [M+H]+ |
1154 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1154 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1155 NUM PEAKS: 16 | 1155 NUM PEAKS: 16 |
1156 90.03403 245033.0 | 1156 90.03403 245033.0 |
1157 91.04183 266487.0 | 1157 91.04183 266487.0 |
1158 92.0498 149734.0 | 1158 92.0498 149734.0 |
1159 93.0575 65470.0 | 1159 93.0575 65470.0 |
1160 98.99973 5081895.0 | 1160 98.99973 5081895.0 |
1161 100.00744 171810.0 | 1161 100.00744 171810.0 |
1162 119.0606 1725493.0 | 1162 119.0606 1725493.0 |
1163 120.06829 76212.0 | 1163 120.06829 76212.0 |
1164 126.01085 4292995.0 | 1164 126.01085 4292995.0 |
1165 127.01831 4179362.0 | 1165 127.01831 4179362.0 |
1166 131.06062 91755.0 | 1166 131.06062 91755.0 |
1167 140.02657 95768.0 | 1167 140.02657 95768.0 |
1168 141.02174 52283.0 | 1168 141.02174 52283.0 |
1169 147.05553 873918.0 | 1169 147.05553 873918.0 |
1170 148.06332 1071865.0 | 1170 148.06332 1071865.0 |
1171 183.03224 448058.0 | 1171 183.03224 448058.0 |
1172 | 1172 |
1173 COMPOUND_NAME: Fenoxycarb | |
1173 SCANNUMBER: 6056 | 1174 SCANNUMBER: 6056 |
1174 IONMODE: positive | 1175 IONMODE: positive |
1175 SPECTRUMTYPE: Centroid | 1176 SPECTRUMTYPE: Centroid |
1176 FORMULA: C17H19NO4 | 1177 FORMULA: C17H19NO4 |
1177 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N | 1178 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N |
1178 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O | 1179 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O |
1179 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1180 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1180 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1181 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1181 IONIZATION: ESI+ | 1182 IONIZATION: ESI+ |
1182 LICENSE: CC BY-NC | 1183 LICENSE: CC BY-NC |
1183 COMPOUND_NAME: Fenoxycarb | |
1184 RETENTION_TIME: 7.007411 | 1184 RETENTION_TIME: 7.007411 |
1185 PRECURSOR_MZ: 302.1392 | 1185 PRECURSOR_MZ: 302.1392 |
1186 ADDUCT: [M+H]+ | 1186 ADDUCT: [M+H]+ |
1187 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1187 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1188 NUM PEAKS: 4 | 1188 NUM PEAKS: 4 |
1189 88.03963 3398675.0 | 1189 88.03963 3398675.0 |
1190 116.07085 7870537.0 | 1190 116.07085 7870537.0 |
1191 256.09756 3714539.0 | 1191 256.09756 3714539.0 |
1192 302.13986 4154405.0 | 1192 302.13986 4154405.0 |
1193 | 1193 |
1194 COMPOUND_NAME: Fenuron | |
1194 SCANNUMBER: 1173 | 1195 SCANNUMBER: 1173 |
1195 IONMODE: positive | 1196 IONMODE: positive |
1196 SPECTRUMTYPE: Centroid | 1197 SPECTRUMTYPE: Centroid |
1197 FORMULA: C9H12N2O | 1198 FORMULA: C9H12N2O |
1198 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N | 1199 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N |
1199 SMILES: CN(C(=Nc1ccccc1)O)C | 1200 SMILES: CN(C(=Nc1ccccc1)O)C |
1200 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1201 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1201 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1202 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1202 IONIZATION: ESI+ | 1203 IONIZATION: ESI+ |
1203 LICENSE: CC BY-NC | 1204 LICENSE: CC BY-NC |
1204 COMPOUND_NAME: Fenuron | |
1205 RETENTION_TIME: 2.603287 | 1205 RETENTION_TIME: 2.603287 |
1206 PRECURSOR_MZ: 165.1026 | 1206 PRECURSOR_MZ: 165.1026 |
1207 ADDUCT: [M+H]+ | 1207 ADDUCT: [M+H]+ |
1208 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1208 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1209 NUM PEAKS: 8 | 1209 NUM PEAKS: 8 |
1210 90.94795 13666.0 | 1210 90.94795 13666.0 |
1211 92.04957 465012.0 | 1211 92.04957 465012.0 |
1212 93.0575 10288.0 | 1212 93.0575 10288.0 |
1213 95.0478 10698.0 | 1213 95.0478 10698.0 |
1214 95.04929 620773.0 | 1214 95.04929 620773.0 |
1215 104.96333 7099.0 | 1215 104.96333 7099.0 |
1216 105.04477 391134.0 | 1216 105.04477 391134.0 |
1217 120.04464 89335.0 | 1217 120.04464 89335.0 |
1218 | 1218 |
1219 COMPOUND_NAME: Isoprocarb | |
1219 SCANNUMBER: 2001 | 1220 SCANNUMBER: 2001 |
1220 IONMODE: positive | 1221 IONMODE: positive |
1221 SPECTRUMTYPE: Centroid | 1222 SPECTRUMTYPE: Centroid |
1222 FORMULA: C11H15NO2 | 1223 FORMULA: C11H15NO2 |
1223 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N | 1224 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N |
1224 SMILES: CN=C(Oc1ccccc1C(C)C)O | 1225 SMILES: CN=C(Oc1ccccc1C(C)C)O |
1225 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1226 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1226 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1227 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1227 IONIZATION: ESI+ | 1228 IONIZATION: ESI+ |
1228 LICENSE: CC BY-NC | 1229 LICENSE: CC BY-NC |
1229 COMPOUND_NAME: Isoprocarb | |
1230 RETENTION_TIME: 4.552796 | 1230 RETENTION_TIME: 4.552796 |
1231 PRECURSOR_MZ: 194.1181 | 1231 PRECURSOR_MZ: 194.1181 |
1232 ADDUCT: [M+H]+ | 1232 ADDUCT: [M+H]+ |
1233 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1233 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1234 NUM PEAKS: 4 | 1234 NUM PEAKS: 4 |
1235 95.04929 1741248.0 | 1235 95.04929 1741248.0 |
1236 137.09615 1255669.0 | 1236 137.09615 1255669.0 |
1237 152.07103 658146.0 | 1237 152.07103 658146.0 |
1238 194.11743 393850.0 | 1238 194.11743 393850.0 |
1239 | 1239 |
1240 COMPOUND_NAME: Pyraclostrobin | |
1240 SCANNUMBER: 8910 | 1241 SCANNUMBER: 8910 |
1241 IONMODE: positive | 1242 IONMODE: positive |
1242 SPECTRUMTYPE: Centroid | 1243 SPECTRUMTYPE: Centroid |
1243 FORMULA: C19H18N3O4Cl | 1244 FORMULA: C19H18N3O4Cl |
1244 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N | 1245 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N |
1245 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC | 1246 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC |
1246 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1247 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1247 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1248 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1248 IONIZATION: ESI+ | 1249 IONIZATION: ESI+ |
1249 LICENSE: CC BY-NC | 1250 LICENSE: CC BY-NC |
1250 COMPOUND_NAME: Pyraclostrobin | |
1251 RETENTION_TIME: 7.421628 | 1251 RETENTION_TIME: 7.421628 |
1252 PRECURSOR_MZ: 388.107 | 1252 PRECURSOR_MZ: 388.107 |
1253 ADDUCT: [M+H]+ | 1253 ADDUCT: [M+H]+ |
1254 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1254 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1255 NUM PEAKS: 11 | 1255 NUM PEAKS: 11 |
1256 162.0554 983545.0 | 1256 162.0554 983545.0 |
1257 163.06332 1950324.0 | 1257 163.06332 1950324.0 |
1258 164.07108 4818863.0 | 1258 164.07108 4818863.0 |
1259 194.08186 23217608.0 | 1259 194.08186 23217608.0 |
1260 296.05423 282175.0 | 1260 296.05423 282175.0 |
1261 296.05969 5986147.0 | 1261 296.05969 5986147.0 |
1262 324.05402 1024635.0 | 1262 324.05402 1024635.0 |
1263 356.07611 701579.0 | 1263 356.07611 701579.0 |
1264 356.08151 2958382.0 | 1264 356.08151 2958382.0 |
1265 357.08807 317478.0 | 1265 357.08807 317478.0 |
1266 388.10776 6476718.0 | 1266 388.10776 6476718.0 |
1267 | 1267 |
1268 COMPOUND_NAME: Siduron_1 | |
1268 SCANNUMBER: 3358 | 1269 SCANNUMBER: 3358 |
1269 IONMODE: positive | 1270 IONMODE: positive |
1270 SPECTRUMTYPE: Centroid | 1271 SPECTRUMTYPE: Centroid |
1271 FORMULA: C14H20N2O | 1272 FORMULA: C14H20N2O |
1272 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N | 1273 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N |
1273 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O | 1274 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O |
1274 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1275 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1275 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1276 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1276 IONIZATION: ESI+ | 1277 IONIZATION: ESI+ |
1277 LICENSE: CC BY-NC | 1278 LICENSE: CC BY-NC |
1278 COMPOUND_NAME: Siduron_1 | |
1279 RETENTION_TIME: 5.922128 | 1279 RETENTION_TIME: 5.922128 |
1280 PRECURSOR_MZ: 233.1652 | 1280 PRECURSOR_MZ: 233.1652 |
1281 ADDUCT: [M+H]+ | 1281 ADDUCT: [M+H]+ |
1282 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1282 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1283 NUM PEAKS: 8 | 1283 NUM PEAKS: 8 |
1284 92.0498 933541.0 | 1284 92.0498 933541.0 |
1285 93.0575 170423.0 | 1285 93.0575 170423.0 |
1286 94.06544 14211722.0 | 1286 94.06544 14211722.0 |
1287 95.04929 2073643.0 | 1287 95.04929 2073643.0 |
1288 97.10134 599721.0 | 1288 97.10134 599721.0 |
1289 105.04506 1075144.0 | 1289 105.04506 1075144.0 |
1290 120.04464 1602718.0 | 1290 120.04464 1602718.0 |
1291 137.07117 1760320.0 | 1291 137.07117 1760320.0 |
1292 | 1292 |
1293 COMPOUND_NAME: Siduron_2 | |
1293 SCANNUMBER: 3451 | 1294 SCANNUMBER: 3451 |
1294 IONMODE: positive | 1295 IONMODE: positive |
1295 SPECTRUMTYPE: Centroid | 1296 SPECTRUMTYPE: Centroid |
1296 FORMULA: C14H20N2O | 1297 FORMULA: C14H20N2O |
1297 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N | 1298 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N |
1298 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O | 1299 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O |
1299 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1300 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1300 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1301 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1301 IONIZATION: ESI+ | 1302 IONIZATION: ESI+ |
1302 LICENSE: CC BY-NC | 1303 LICENSE: CC BY-NC |
1303 COMPOUND_NAME: Siduron_2 | |
1304 RETENTION_TIME: 6.048454 | 1304 RETENTION_TIME: 6.048454 |
1305 PRECURSOR_MZ: 233.1654 | 1305 PRECURSOR_MZ: 233.1654 |
1306 ADDUCT: [M+H]+ | 1306 ADDUCT: [M+H]+ |
1307 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1307 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1308 NUM PEAKS: 8 | 1308 NUM PEAKS: 8 |
1309 92.04957 227079.0 | 1309 92.04957 227079.0 |
1310 93.0575 48287.0 | 1310 93.0575 48287.0 |
1311 94.06519 3308508.0 | 1311 94.06519 3308508.0 |
1312 95.04929 491391.0 | 1312 95.04929 491391.0 |
1313 97.10134 147324.0 | 1313 97.10134 147324.0 |
1314 105.04477 331107.0 | 1314 105.04477 331107.0 |
1315 120.04464 414038.0 | 1315 120.04464 414038.0 |
1316 137.07117 494688.0 | 1316 137.07117 494688.0 |
1317 | 1317 |
1318 COMPOUND_NAME: Thiobencarb | |
1318 SCANNUMBER: 6489 | 1319 SCANNUMBER: 6489 |
1319 IONMODE: positive | 1320 IONMODE: positive |
1320 SPECTRUMTYPE: Centroid | 1321 SPECTRUMTYPE: Centroid |
1321 FORMULA: C12H16NOClS | 1322 FORMULA: C12H16NOClS |
1322 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N | 1323 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N |
1323 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC | 1324 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC |
1324 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1325 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1325 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1326 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1326 IONIZATION: ESI+ | 1327 IONIZATION: ESI+ |
1327 LICENSE: CC BY-NC | 1328 LICENSE: CC BY-NC |
1328 COMPOUND_NAME: Thiobencarb | |
1329 RETENTION_TIME: 7.094566 | 1329 RETENTION_TIME: 7.094566 |
1330 PRECURSOR_MZ: 258.0717 | 1330 PRECURSOR_MZ: 258.0717 |
1331 ADDUCT: [M+H]+ | 1331 ADDUCT: [M+H]+ |
1332 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1332 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1333 NUM PEAKS: 3 | 1333 NUM PEAKS: 3 |
1334 89.03883 1114558.0 | 1334 89.03883 1114558.0 |
1335 98.99973 585236.0 | 1335 98.99973 585236.0 |
1336 125.01533 28327212.0 | 1336 125.01533 28327212.0 |
1337 | 1337 |
1338 COMPOUND_NAME: Triflumuron | |
1338 SCANNUMBER: 5946 | 1339 SCANNUMBER: 5946 |
1339 IONMODE: positive | 1340 IONMODE: positive |
1340 SPECTRUMTYPE: Centroid | 1341 SPECTRUMTYPE: Centroid |
1341 FORMULA: C15H10N2O3ClF3 | 1342 FORMULA: C15H10N2O3ClF3 |
1342 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N | 1343 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N |
1343 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F | 1344 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F |
1344 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1345 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1345 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1346 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1346 IONIZATION: ESI+ | 1347 IONIZATION: ESI+ |
1347 LICENSE: CC BY-NC | 1348 LICENSE: CC BY-NC |
1348 COMPOUND_NAME: Triflumuron | |
1349 RETENTION_TIME: 6.978649 | 1349 RETENTION_TIME: 6.978649 |
1350 PRECURSOR_MZ: 359.0412 | 1350 PRECURSOR_MZ: 359.0412 |
1351 ADDUCT: [M+H]+ | 1351 ADDUCT: [M+H]+ |
1352 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1352 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1353 NUM PEAKS: 7 | 1353 NUM PEAKS: 7 |
1354 113.01541 658622.0 | 1354 113.01541 658622.0 |
1355 129.01042 138249.0 | 1355 129.01042 138249.0 |
1356 138.011 140957.0 | 1356 138.011 140957.0 |
1357 138.99484 9851099.0 | 1357 138.99484 9851099.0 |
1358 139.00452 474854.0 | 1358 139.00452 474854.0 |
1359 156.02116 3353307.0 | 1359 156.02116 3353307.0 |
1360 178.04784 200379.0 | 1360 178.04784 200379.0 |
1361 | 1361 |
1362 COMPOUND_NAME: Propham | |
1362 SCANNUMBER: 3629 | 1363 SCANNUMBER: 3629 |
1363 IONMODE: positive | 1364 IONMODE: positive |
1364 SPECTRUMTYPE: Centroid | 1365 SPECTRUMTYPE: Centroid |
1365 FORMULA: C10H13NO2 | 1366 FORMULA: C10H13NO2 |
1366 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N | 1367 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N |
1367 SMILES: CC(OC(=Nc1ccccc1)O)C | 1368 SMILES: CC(OC(=Nc1ccccc1)O)C |
1368 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1369 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1369 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1370 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1370 IONIZATION: ESI+ | 1371 IONIZATION: ESI+ |
1371 LICENSE: CC BY-NC | 1372 LICENSE: CC BY-NC |
1372 COMPOUND_NAME: Propham | |
1373 RETENTION_TIME: 6.134321 | 1373 RETENTION_TIME: 6.134321 |
1374 PRECURSOR_MZ: 180.1022 | 1374 PRECURSOR_MZ: 180.1022 |
1375 ADDUCT: [M+H]+ | 1375 ADDUCT: [M+H]+ |
1376 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1376 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1377 NUM PEAKS: 13 | 1377 NUM PEAKS: 13 |
1378 91.05442 8291.0 | 1378 91.05442 8291.0 |
1379 93.0575 2806.0 | 1379 93.0575 2806.0 |
1380 95.04929 8647.0 | 1380 95.04929 8647.0 |
1381 96.04461 67785.0 | 1381 96.04461 67785.0 |
1382 97.02845 206258.0 | 1382 97.02845 206258.0 |
1383 105.0335 4841.0 | 1383 105.0335 4841.0 |
1384 105.04477 6538.0 | 1384 105.04477 6538.0 |
1385 106.02882 185730.0 | 1385 106.02882 185730.0 |
1386 109.02843 2611.0 | 1386 109.02843 2611.0 |
1387 117.0574 2236.0 | 1387 117.0574 2236.0 |
1388 124.03935 187312.0 | 1388 124.03935 187312.0 |
1389 134.0237 14609.0 | 1389 134.0237 14609.0 |
1390 152.0343 3135.0 | 1390 152.0343 3135.0 |
1391 | 1391 |
1392 COMPOUND_NAME: Propoxur | |
1392 SCANNUMBER: 1562 | 1393 SCANNUMBER: 1562 |
1393 IONMODE: positive | 1394 IONMODE: positive |
1394 SPECTRUMTYPE: Centroid | 1395 SPECTRUMTYPE: Centroid |
1395 FORMULA: C11H15NO3 | 1396 FORMULA: C11H15NO3 |
1396 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N | 1397 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N |
1397 SMILES: CN=C(Oc1ccccc1OC(C)C)O | 1398 SMILES: CN=C(Oc1ccccc1OC(C)C)O |
1398 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1399 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1399 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1400 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1400 IONIZATION: ESI+ | 1401 IONIZATION: ESI+ |
1401 LICENSE: CC BY-NC | 1402 LICENSE: CC BY-NC |
1402 COMPOUND_NAME: Propoxur | |
1403 RETENTION_TIME: 3.894733 | 1403 RETENTION_TIME: 3.894733 |
1404 PRECURSOR_MZ: 210.1129 | 1404 PRECURSOR_MZ: 210.1129 |
1405 ADDUCT: [M+H]+ | 1405 ADDUCT: [M+H]+ |
1406 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1406 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1407 NUM PEAKS: 6 | 1407 NUM PEAKS: 6 |
1408 93.03366 11976.0 | 1408 93.03366 11976.0 |
1409 111.04436 1112660.0 | 1409 111.04436 1112660.0 |
1410 153.09126 254920.0 | 1410 153.09126 254920.0 |
1411 168.06589 785437.0 | 1411 168.06589 785437.0 |
1412 199.97662 26875.0 | 1412 199.97662 26875.0 |
1413 210.11256 38244.0 | 1413 210.11256 38244.0 |
1414 | 1414 |
1415 COMPOUND_NAME: Neburon | |
1415 SCANNUMBER: 4942 | 1416 SCANNUMBER: 4942 |
1416 IONMODE: positive | 1417 IONMODE: positive |
1417 SPECTRUMTYPE: Centroid | 1418 SPECTRUMTYPE: Centroid |
1418 FORMULA: C12H16N2OCl2 | 1419 FORMULA: C12H16N2OCl2 |
1419 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N | 1420 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N |
1420 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C | 1421 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C |
1421 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1422 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1422 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1423 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1423 IONIZATION: ESI+ | 1424 IONIZATION: ESI+ |
1424 LICENSE: CC BY-NC | 1425 LICENSE: CC BY-NC |
1425 COMPOUND_NAME: Neburon | |
1426 RETENTION_TIME: 6.834164 | 1426 RETENTION_TIME: 6.834164 |
1427 PRECURSOR_MZ: 275.0721 | 1427 PRECURSOR_MZ: 275.0721 |
1428 ADDUCT: [M+H]+ | 1428 ADDUCT: [M+H]+ |
1429 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1429 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1430 NUM PEAKS: 12 | 1430 NUM PEAKS: 12 |
1431 88.11217 614563.0 | 1431 88.11217 614563.0 |
1432 114.09161 31817.0 | 1432 114.09161 31817.0 |
1433 123.99487 30163.0 | 1433 123.99487 30163.0 |
1434 125.00258 66386.0 | 1434 125.00258 66386.0 |
1435 127.01831 315476.0 | 1435 127.01831 315476.0 |
1436 132.96072 198326.0 | 1436 132.96072 198326.0 |
1437 152.99777 149347.0 | 1437 152.99777 149347.0 |
1438 159.97182 1502459.0 | 1438 159.97182 1502459.0 |
1439 161.98734 127589.0 | 1439 161.98734 127589.0 |
1440 172.9666 45053.0 | 1440 172.9666 45053.0 |
1441 173.50816 20256.0 | 1441 173.50816 20256.0 |
1442 187.96652 106090.0 | 1442 187.96652 106090.0 |
1443 | 1443 |
1444 COMPOUND_NAME: Pirimicarb | |
1444 SCANNUMBER: 1410 | 1445 SCANNUMBER: 1410 |
1445 IONMODE: positive | 1446 IONMODE: positive |
1446 SPECTRUMTYPE: Centroid | 1447 SPECTRUMTYPE: Centroid |
1447 FORMULA: C11H18N4O2 | 1448 FORMULA: C11H18N4O2 |
1448 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N | 1449 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N |
1449 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C | 1450 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C |
1450 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1451 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1451 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1452 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1452 IONIZATION: ESI+ | 1453 IONIZATION: ESI+ |
1453 LICENSE: CC BY-NC | 1454 LICENSE: CC BY-NC |
1454 COMPOUND_NAME: Pirimicarb | |
1455 RETENTION_TIME: 2.886323 | 1455 RETENTION_TIME: 2.886323 |
1456 PRECURSOR_MZ: 239.1508 | 1456 PRECURSOR_MZ: 239.1508 |
1457 ADDUCT: [M+H]+ | 1457 ADDUCT: [M+H]+ |
1458 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1458 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1459 NUM PEAKS: 16 | 1459 NUM PEAKS: 16 |
1460 85.07622 1062158.0 | 1460 85.07622 1062158.0 |
1461 94.05271 17085.0 | 1461 94.05271 17085.0 |
1462 109.07641 1234692.0 | 1462 109.07641 1234692.0 |
1463 123.0557 18419.0 | 1463 123.0557 18419.0 |
1464 124.06345 155955.0 | 1464 124.06345 155955.0 |
1465 137.07117 726268.0 | 1465 137.07117 726268.0 |
1466 138.0789 659866.0 | 1466 138.0789 659866.0 |
1467 139.08681 37108.0 | 1467 139.08681 37108.0 |
1468 150.10287 446134.0 | 1468 150.10287 446134.0 |
1469 152.08211 433568.0 | 1469 152.08211 433568.0 |
1470 166.09756 38582.0 | 1470 166.09756 38582.0 |
1471 167.10577 250650.0 | 1471 167.10577 250650.0 |
1472 168.11327 14402.0 | 1472 168.11327 14402.0 |
1473 180.11363 53047.0 | 1473 180.11363 53047.0 |
1474 182.12914 1046026.0 | 1474 182.12914 1046026.0 |
1475 195.16029 68565.0 | 1475 195.16029 68565.0 |
1476 | 1476 |
1477 COMPOUND_NAME: Promecarb | |
1477 SCANNUMBER: 3089 | 1478 SCANNUMBER: 3089 |
1478 IONMODE: positive | 1479 IONMODE: positive |
1479 SPECTRUMTYPE: Centroid | 1480 SPECTRUMTYPE: Centroid |
1480 FORMULA: C12H17NO2 | 1481 FORMULA: C12H17NO2 |
1481 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N | 1482 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N |
1482 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O | 1483 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O |
1483 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1484 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1484 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1485 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1485 IONIZATION: ESI+ | 1486 IONIZATION: ESI+ |
1486 LICENSE: CC BY-NC | 1487 LICENSE: CC BY-NC |
1487 COMPOUND_NAME: Promecarb | |
1488 RETENTION_TIME: 5.65392 | 1488 RETENTION_TIME: 5.65392 |
1489 PRECURSOR_MZ: 208.1339 | 1489 PRECURSOR_MZ: 208.1339 |
1490 ADDUCT: [M+H]+ | 1490 ADDUCT: [M+H]+ |
1491 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1491 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1492 NUM PEAKS: 3 | 1492 NUM PEAKS: 3 |
1493 109.0651 1911986.0 | 1493 109.0651 1911986.0 |
1494 151.1118 3833728.0 | 1494 151.1118 3833728.0 |
1495 208.13309 173991.0 | 1495 208.13309 173991.0 |
1496 | 1496 |
1497 COMPOUND_NAME: Ametryn | |
1497 SCANNUMBER: 2984 | 1498 SCANNUMBER: 2984 |
1498 IONMODE: positive | 1499 IONMODE: positive |
1499 SPECTRUMTYPE: Centroid | 1500 SPECTRUMTYPE: Centroid |
1500 FORMULA: C9H17N5S | 1501 FORMULA: C9H17N5S |
1501 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N | 1502 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N |
1502 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 | 1503 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 |
1503 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1504 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1504 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1505 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1505 IONIZATION: ESI+ | 1506 IONIZATION: ESI+ |
1506 LICENSE: CC BY-NC | 1507 LICENSE: CC BY-NC |
1507 COMPOUND_NAME: Ametryn | |
1508 RETENTION_TIME: 4.38309 | 1508 RETENTION_TIME: 4.38309 |
1509 PRECURSOR_MZ: 228.1282 | 1509 PRECURSOR_MZ: 228.1282 |
1510 ADDUCT: [M+H]+ | 1510 ADDUCT: [M+H]+ |
1511 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1511 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1512 NUM PEAKS: 15 | 1512 NUM PEAKS: 15 |
1513 85.05116 494786.0 | 1513 85.05116 494786.0 |
1514 91.03273 2410460.0 | 1514 91.03273 2410460.0 |
1515 96.05421 57071.0 | 1515 96.05421 57071.0 |
1516 96.05572 4102907.0 | 1516 96.05572 4102907.0 |
1517 102.03746 125646.0 | 1517 102.03746 125646.0 |
1518 110.04619 527391.0 | 1518 110.04619 527391.0 |
1519 113.08218 433234.0 | 1519 113.08218 433234.0 |
1520 116.0279 3479269.0 | 1520 116.0279 3479269.0 |
1521 138.07761 1659836.0 | 1521 138.07761 1659836.0 |
1522 140.09331 43027.0 | 1522 140.09331 43027.0 |
1523 144.05919 1428619.0 | 1523 144.05919 1428619.0 |
1524 158.04967 1355067.0 | 1524 158.04967 1355067.0 |
1525 184.06534 61690.0 | 1525 184.06534 61690.0 |
1526 186.08095 4152044.0 | 1526 186.08095 4152044.0 |
1527 228.12772 94575.0 | 1527 228.12772 94575.0 |
1528 | 1528 |
1529 COMPOUND_NAME: Azoxystrobin | |
1529 SCANNUMBER: 7002 | 1530 SCANNUMBER: 7002 |
1530 IONMODE: positive | 1531 IONMODE: positive |
1531 SPECTRUMTYPE: Centroid | 1532 SPECTRUMTYPE: Centroid |
1532 FORMULA: C22H17N3O5 | 1533 FORMULA: C22H17N3O5 |
1533 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N | 1534 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N |
1534 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC | 1535 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC |
1535 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1536 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1536 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1537 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1537 IONIZATION: ESI+ | 1538 IONIZATION: ESI+ |
1538 LICENSE: CC BY-NC | 1539 LICENSE: CC BY-NC |
1539 COMPOUND_NAME: Azoxystrobin | |
1540 RETENTION_TIME: 6.9269 | 1540 RETENTION_TIME: 6.9269 |
1541 PRECURSOR_MZ: 404.1249 | 1541 PRECURSOR_MZ: 404.1249 |
1542 ADDUCT: [M+H]+ | 1542 ADDUCT: [M+H]+ |
1543 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1543 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1544 NUM PEAKS: 46 | 1544 NUM PEAKS: 46 |
1545 120.04499 298934.0 | 1545 120.04499 298934.0 |
1546 129.04543 475852.0 | 1546 129.04543 475852.0 |
1547 130.0406 263606.0 | 1547 130.0406 263606.0 |
1548 133.05293 386291.0 | 1548 133.05293 386291.0 |
1549 134.06076 1413032.0 | 1549 134.06076 1413032.0 |
1550 141.04556 164042.0 | 1550 141.04556 164042.0 |
1551 143.06114 793237.0 | 1551 143.06114 793237.0 |
1552 145.02927 438571.0 | 1552 145.02927 438571.0 |
1553 145.0527 469026.0 | 1553 145.0527 469026.0 |
1554 155.06116 174099.0 | 1554 155.06116 174099.0 |
1555 156.04523 1265874.0 | 1555 156.04523 1265874.0 |
1556 169.04019 657911.0 | 1556 169.04019 657911.0 |
1557 170.04799 171763.0 | 1557 170.04799 171763.0 |
1558 171.03239 360415.0 | 1558 171.03239 360415.0 |
1559 171.05582 571918.0 | 1559 171.05582 571918.0 |
1560 172.03992 1796369.0 | 1560 172.03992 1796369.0 |
1561 173.04782 282353.0 | 1561 173.04782 282353.0 |
1562 177.05542 349400.0 | 1562 177.05542 349400.0 |
1563 182.04868 292236.0 | 1563 182.04868 292236.0 |
1564 182.0724 305597.0 | 1564 182.0724 305597.0 |
1565 183.05617 4029271.0 | 1565 183.05617 4029271.0 |
1566 199.05089 723420.0 | 1566 199.05089 723420.0 |
1567 200.03506 1025293.0 | 1567 200.03506 1025293.0 |
1568 201.04263 1807636.0 | 1568 201.04263 1807636.0 |
1569 201.06636 510108.0 | 1569 201.06636 510108.0 |
1570 210.04311 1974682.0 | 1570 210.04311 1974682.0 |
1571 210.0668 342264.0 | 1571 210.0668 342264.0 |
1572 211.05078 355209.0 | 1572 211.05078 355209.0 |
1573 216.06657 1168439.0 | 1573 216.06657 1168439.0 |
1574 246.07988 182890.0 | 1574 246.07988 182890.0 |
1575 272.0834 1282380.0 | 1575 272.0834 1282380.0 |
1576 273.06769 795436.0 | 1576 273.06769 795436.0 |
1577 273.0907 1168355.0 | 1577 273.0907 1168355.0 |
1578 274.07443 221912.0 | 1578 274.07443 221912.0 |
1579 275.08304 260482.0 | 1579 275.08304 260482.0 |
1580 287.08322 453884.0 | 1580 287.08322 453884.0 |
1581 288.06744 172169.0 | 1581 288.06744 172169.0 |
1582 300.07855 1244681.0 | 1582 300.07855 1244681.0 |
1583 301.08551 3241347.0 | 1583 301.08551 3241347.0 |
1584 312.07855 219216.0 | 1584 312.07855 219216.0 |
1585 315.10245 205186.0 | 1585 315.10245 205186.0 |
1586 316.10916 292099.0 | 1586 316.10916 292099.0 |
1587 328.07382 3766201.0 | 1587 328.07382 3766201.0 |
1588 329.08087 15964814.0 | 1588 329.08087 15964814.0 |
1589 344.10461 2718360.0 | 1589 344.10461 2718360.0 |
1590 372.10004 167044.0 | 1590 372.10004 167044.0 |
1591 | 1591 |
1592 COMPOUND_NAME: Benalaxyl | |
1592 SCANNUMBER: 7850 | 1593 SCANNUMBER: 7850 |
1593 IONMODE: positive | 1594 IONMODE: positive |
1594 SPECTRUMTYPE: Centroid | 1595 SPECTRUMTYPE: Centroid |
1595 FORMULA: C20H23NO3 | 1596 FORMULA: C20H23NO3 |
1596 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N | 1597 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N |
1597 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C | 1598 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C |
1598 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1599 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1599 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1600 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1600 IONIZATION: ESI+ | 1601 IONIZATION: ESI+ |
1601 LICENSE: CC BY-NC | 1602 LICENSE: CC BY-NC |
1602 COMPOUND_NAME: Benalaxyl | |
1603 RETENTION_TIME: 7.079875 | 1603 RETENTION_TIME: 7.079875 |
1604 PRECURSOR_MZ: 326.1756 | 1604 PRECURSOR_MZ: 326.1756 |
1605 ADDUCT: [M+H]+ | 1605 ADDUCT: [M+H]+ |
1606 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1606 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1607 NUM PEAKS: 8 | 1607 NUM PEAKS: 8 |
1608 91.05441 11560916.0 | 1608 91.05441 11560916.0 |
1609 105.0702 367839.0 | 1609 105.0702 367839.0 |
1610 106.06546 647312.0 | 1610 106.06546 647312.0 |
1611 120.081 385637.0 | 1611 120.081 385637.0 |
1612 121.08883 11501126.0 | 1612 121.08883 11501126.0 |
1613 122.09673 517871.0 | 1613 122.09673 517871.0 |
1614 133.08878 546024.0 | 1614 133.08878 546024.0 |
1615 148.11217 23207426.0 | 1615 148.11217 23207426.0 |
1616 | 1616 |
1617 COMPOUND_NAME: Boscalid | |
1617 SCANNUMBER: 6328 | 1618 SCANNUMBER: 6328 |
1618 IONMODE: positive | 1619 IONMODE: positive |
1619 SPECTRUMTYPE: Centroid | 1620 SPECTRUMTYPE: Centroid |
1620 FORMULA: C18H12N2OCl2 | 1621 FORMULA: C18H12N2OCl2 |
1621 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N | 1622 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N |
1622 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O | 1623 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O |
1623 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1624 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1624 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1625 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1625 IONIZATION: ESI+ | 1626 IONIZATION: ESI+ |
1626 LICENSE: CC BY-NC | 1627 LICENSE: CC BY-NC |
1627 COMPOUND_NAME: Boscalid | |
1628 RETENTION_TIME: 6.811709 | 1628 RETENTION_TIME: 6.811709 |
1629 PRECURSOR_MZ: 343.0408 | 1629 PRECURSOR_MZ: 343.0408 |
1630 ADDUCT: [M+H]+ | 1630 ADDUCT: [M+H]+ |
1631 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1631 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1632 NUM PEAKS: 27 | 1632 NUM PEAKS: 27 |
1633 96.04461 588528.0 | 1633 96.04461 588528.0 |
1634 111.99506 131288.0 | 1634 111.99506 131288.0 |
1635 112.03961 562594.0 | 1635 112.03961 562594.0 |
1636 114.01087 183518.0 | 1636 114.01087 183518.0 |
1637 130.00558 256565.0 | 1637 130.00558 256565.0 |
1638 139.99011 1220289.0 | 1638 139.99011 1220289.0 |
1639 152.06248 66998.0 | 1639 152.06248 66998.0 |
1640 216.08105 60699.0 | 1640 216.08105 60699.0 |
1641 227.07349 93814.0 | 1641 227.07349 93814.0 |
1642 228.08148 96430.0 | 1642 228.08148 96430.0 |
1643 229.08876 93365.0 | 1643 229.08876 93365.0 |
1644 230.03716 77307.0 | 1644 230.03716 77307.0 |
1645 238.04195 58994.0 | 1645 238.04195 58994.0 |
1646 242.08464 181011.0 | 1646 242.08464 181011.0 |
1647 243.09259 680474.0 | 1647 243.09259 680474.0 |
1648 244.09969 317520.0 | 1648 244.09969 317520.0 |
1649 253.07672 424600.0 | 1649 253.07672 424600.0 |
1650 254.08458 657164.0 | 1650 254.08458 657164.0 |
1651 264.05807 118437.0 | 1651 264.05807 118437.0 |
1652 270.07944 187992.0 | 1652 270.07944 187992.0 |
1653 271.08762 5868577.0 | 1653 271.08762 5868577.0 |
1654 272.09424 5476461.0 | 1654 272.09424 5476461.0 |
1655 279.0686 68522.0 | 1655 279.0686 68522.0 |
1656 289.05276 1245064.0 | 1656 289.05276 1245064.0 |
1657 305.04871 107573.0 | 1657 305.04871 107573.0 |
1658 306.05643 72921.0 | 1658 306.05643 72921.0 |
1659 307.06335 2958245.0 | 1659 307.06335 2958245.0 |
1660 | 1660 |
1661 COMPOUND_NAME: Carbetamide | |
1661 SCANNUMBER: 2756 | 1662 SCANNUMBER: 2756 |
1662 IONMODE: positive | 1663 IONMODE: positive |
1663 SPECTRUMTYPE: Centroid | 1664 SPECTRUMTYPE: Centroid |
1664 FORMULA: C12H16N2O3 | 1665 FORMULA: C12H16N2O3 |
1665 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N | 1666 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N |
1666 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O | 1667 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O |
1667 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1668 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1668 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1669 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1669 IONIZATION: ESI+ | 1670 IONIZATION: ESI+ |
1670 LICENSE: CC BY-NC | 1671 LICENSE: CC BY-NC |
1671 COMPOUND_NAME: Carbetamide | |
1672 RETENTION_TIME: 3.923062 | 1672 RETENTION_TIME: 3.923062 |
1673 PRECURSOR_MZ: 237.1238 | 1673 PRECURSOR_MZ: 237.1238 |
1674 ADDUCT: [M+H]+ | 1674 ADDUCT: [M+H]+ |
1675 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1675 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1676 NUM PEAKS: 12 | 1676 NUM PEAKS: 12 |
1677 85.07622 86855.0 | 1677 85.07622 86855.0 |
1678 100.07591 86451.0 | 1678 100.07591 86451.0 |
1679 118.08654 1614784.0 | 1679 118.08654 1614784.0 |
1680 120.04464 757563.0 | 1680 120.04464 757563.0 |
1681 126.01047 99599.0 | 1681 126.01047 99599.0 |
1682 138.05496 54640.0 | 1682 138.05496 54640.0 |
1683 144.06567 88684.0 | 1683 144.06567 88684.0 |
1684 164.0705 45687.0 | 1684 164.0705 45687.0 |
1685 192.0659 2143350.0 | 1685 192.0659 2143350.0 |
1686 237.07993 102575.0 | 1686 237.07993 102575.0 |
1687 237.09068 314588.0 | 1687 237.09068 314588.0 |
1688 237.12401 187935.0 | 1688 237.12401 187935.0 |
1689 | 1689 |
1690 COMPOUND_NAME: Carfentrazone ethyl | |
1690 SCANNUMBER: 6914 | 1691 SCANNUMBER: 6914 |
1691 IONMODE: positive | 1692 IONMODE: positive |
1692 SPECTRUMTYPE: Centroid | 1693 SPECTRUMTYPE: Centroid |
1693 FORMULA: C15H14N3O3Cl2F3 | 1694 FORMULA: C15H14N3O3Cl2F3 |
1694 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N | 1695 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N |
1695 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl | 1696 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl |
1696 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1697 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1697 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1698 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1698 IONIZATION: ESI+ | 1699 IONIZATION: ESI+ |
1699 LICENSE: CC BY-NC | 1700 LICENSE: CC BY-NC |
1700 COMPOUND_NAME: Carfentrazone ethyl | |
1701 RETENTION_TIME: 6.898515 | 1701 RETENTION_TIME: 6.898515 |
1702 PRECURSOR_MZ: 412.045 | 1702 PRECURSOR_MZ: 412.045 |
1703 ADDUCT: [M+H]+ | 1703 ADDUCT: [M+H]+ |
1704 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1704 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1705 NUM PEAKS: 75 | 1705 NUM PEAKS: 75 |
1706 87.03558 102938.0 | 1706 87.03558 102938.0 |
1707 92.03108 108928.0 | 1707 92.03108 108928.0 |
1708 140.99028 93612.0 | 1708 140.99028 93612.0 |
1709 168.00159 290200.0 | 1709 168.00159 290200.0 |
1710 168.98535 256214.0 | 1710 168.98535 256214.0 |
1711 169.00954 280404.0 | 1711 169.00954 280404.0 |
1712 169.99326 139258.0 | 1712 169.99326 139258.0 |
1713 176.0387 59605.0 | 1713 176.0387 59605.0 |
1714 176.96758 2472383.0 | 1714 176.96758 2472383.0 |
1715 183.0123 267100.0 | 1715 183.0123 267100.0 |
1716 183.99632 81664.0 | 1716 183.99632 81664.0 |
1717 186.01216 91455.0 | 1717 186.01216 91455.0 |
1718 194.98845 136592.0 | 1718 194.98845 136592.0 |
1719 195.99637 326492.0 | 1719 195.99637 326492.0 |
1720 197.00471 52605.0 | 1720 197.00471 52605.0 |
1721 201.9623 154634.0 | 1721 201.9623 154634.0 |
1722 203.97847 447264.0 | 1722 203.97847 447264.0 |
1723 204.96245 1832179.0 | 1723 204.96245 1832179.0 |
1724 206.02895 92544.0 | 1724 206.02895 92544.0 |
1725 207.03662 171674.0 | 1725 207.03662 171674.0 |
1726 209.02803 384802.0 | 1726 209.02803 384802.0 |
1727 209.99982 113563.0 | 1727 209.99982 113563.0 |
1728 211.00719 472507.0 | 1728 211.00719 472507.0 |
1729 212.01517 66934.0 | 1729 212.01517 66934.0 |
1730 213.00288 312895.0 | 1730 213.00288 312895.0 |
1731 214.01096 51013.0 | 1731 214.01096 51013.0 |
1732 215.02534 55407.0 | 1732 215.02534 55407.0 |
1733 220.9915 95557.0 | 1733 220.9915 95557.0 |
1734 221.97609 58129.0 | 1734 221.97609 58129.0 |
1735 222.00006 181469.0 | 1735 222.00006 181469.0 |
1736 223.00748 74723.0 | 1736 223.00748 74723.0 |
1737 223.9912 1241221.0 | 1737 223.9912 1241221.0 |
1738 226.03568 99992.0 | 1738 226.03568 99992.0 |
1739 227.98999 56867.0 | 1739 227.98999 56867.0 |
1740 228.9734 154659.0 | 1740 228.9734 154659.0 |
1741 228.99759 849754.0 | 1741 228.99759 849754.0 |
1742 229.9576 291454.0 | 1742 229.9576 291454.0 |
1743 230.96507 364210.0 | 1743 230.96507 364210.0 |
1744 231.97353 309882.0 | 1744 231.97353 309882.0 |
1745 232.98094 634253.0 | 1745 232.98094 634253.0 |
1746 233.00957 190835.0 | 1746 233.00957 190835.0 |
1747 233.99303 64478.0 | 1747 233.99303 64478.0 |
1748 236.01566 50291.0 | 1748 236.01566 50291.0 |
1749 239.00291 79639.0 | 1749 239.00291 79639.0 |
1750 240.99757 4112806.0 | 1750 240.99757 4112806.0 |
1751 242.00581 1279056.0 | 1751 242.00581 1279056.0 |
1752 246.98367 100821.0 | 1752 246.98367 100821.0 |
1753 248.98016 83634.0 | 1753 248.98016 83634.0 |
1754 248.9865 48588.0 | 1754 248.9865 48588.0 |
1755 249.9944 112801.0 | 1755 249.9944 112801.0 |
1756 251.02658 84213.0 | 1756 251.02658 84213.0 |
1757 252.03403 720952.0 | 1757 252.03403 720952.0 |
1758 256.96869 464576.0 | 1758 256.96869 464576.0 |
1759 257.95212 120792.0 | 1759 257.95212 120792.0 |
1760 258.96021 600062.0 | 1760 258.96021 600062.0 |
1761 261.00433 486923.0 | 1761 261.00433 486923.0 |
1762 268.00449 56951.0 | 1762 268.00449 56951.0 |
1763 268.99277 70677.0 | 1763 268.99277 70677.0 |
1764 270.00082 107703.0 | 1764 270.00082 107703.0 |
1765 270.98462 439596.0 | 1765 270.98462 439596.0 |
1766 274.97897 367619.0 | 1766 274.97897 367619.0 |
1767 276.97476 4577284.0 | 1767 276.97476 4577284.0 |
1768 280.02945 127558.0 | 1768 280.02945 127558.0 |
1769 282.0246 396042.0 | 1769 282.0246 396042.0 |
1770 284.96323 117220.0 | 1770 284.96323 117220.0 |
1771 288.01102 1894072.0 | 1771 288.01102 1894072.0 |
1772 290.03122 319337.0 | 1772 290.03122 319337.0 |
1773 298.97946 85527.0 | 1773 298.97946 85527.0 |
1774 302.03137 2921622.0 | 1774 302.03137 2921622.0 |
1775 303.0383 181158.0 | 1775 303.0383 181158.0 |
1776 316.00662 372285.0 | 1776 316.00662 372285.0 |
1777 318.00153 484008.0 | 1777 318.00153 484008.0 |
1778 320.04153 58056.0 | 1778 320.04153 58056.0 |
1779 338.00775 410316.0 | 1779 338.00775 410316.0 |
1780 345.99677 2618042.0 | 1780 345.99677 2618042.0 |
1781 | 1781 |
1782 COMPOUND_NAME: Chlorantraniliprole | |
1782 SCANNUMBER: 5260 | 1783 SCANNUMBER: 5260 |
1783 IONMODE: positive | 1784 IONMODE: positive |
1784 SPECTRUMTYPE: Centroid | 1785 SPECTRUMTYPE: Centroid |
1785 FORMULA: C18H14N5O2BrCl2 | 1786 FORMULA: C18H14N5O2BrCl2 |
1786 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N | 1787 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N |
1787 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O | 1788 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O |
1788 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1789 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1789 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1790 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1790 IONIZATION: ESI+ | 1791 IONIZATION: ESI+ |
1791 LICENSE: CC BY-NC | 1792 LICENSE: CC BY-NC |
1792 COMPOUND_NAME: Chlorantraniliprole | |
1793 RETENTION_TIME: 6.589343 | 1793 RETENTION_TIME: 6.589343 |
1794 PRECURSOR_MZ: 481.9785 | 1794 PRECURSOR_MZ: 481.9785 |
1795 ADDUCT: [M+H]+ | 1795 ADDUCT: [M+H]+ |
1796 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1796 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1797 NUM PEAKS: 4 | 1797 NUM PEAKS: 4 |
1798 283.92297 5735542.0 | 1798 283.92297 5735542.0 |
1799 450.93774 4907420.0 | 1799 450.93774 4907420.0 |
1800 463.96796 71876.0 | 1800 463.96796 71876.0 |
1801 481.97949 1501231.0 | 1801 481.97949 1501231.0 |
1802 | 1802 |
1803 COMPOUND_NAME: Clofentezine | |
1803 SCANNUMBER: 9818 | 1804 SCANNUMBER: 9818 |
1804 IONMODE: positive | 1805 IONMODE: positive |
1805 SPECTRUMTYPE: Centroid | 1806 SPECTRUMTYPE: Centroid |
1806 FORMULA: C14H8N4Cl2 | 1807 FORMULA: C14H8N4Cl2 |
1807 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N | 1808 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N |
1808 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl | 1809 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl |
1809 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1810 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1810 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1811 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1811 IONIZATION: ESI+ | 1812 IONIZATION: ESI+ |
1812 LICENSE: CC BY-NC | 1813 LICENSE: CC BY-NC |
1813 COMPOUND_NAME: Clofentezine | |
1814 RETENTION_TIME: 7.397017 | 1814 RETENTION_TIME: 7.397017 |
1815 PRECURSOR_MZ: 303.0207 | 1815 PRECURSOR_MZ: 303.0207 |
1816 ADDUCT: [M+H]+ | 1816 ADDUCT: [M+H]+ |
1817 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1817 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1818 NUM PEAKS: 5 | 1818 NUM PEAKS: 5 |
1819 92.0498 44376.0 | 1819 92.0498 44376.0 |
1820 102.03414 382179.0 | 1820 102.03414 382179.0 |
1821 120.04463 495630.0 | 1821 120.04463 495630.0 |
1822 130.04021 2783936.0 | 1822 130.04021 2783936.0 |
1823 138.01057 2494447.0 | 1823 138.01057 2494447.0 |
1824 | 1824 |
1825 COMPOUND_NAME: Cyprodinil | |
1825 SCANNUMBER: 5584 | 1826 SCANNUMBER: 5584 |
1826 IONMODE: positive | 1827 IONMODE: positive |
1827 SPECTRUMTYPE: Centroid | 1828 SPECTRUMTYPE: Centroid |
1828 FORMULA: C14H15N3 | 1829 FORMULA: C14H15N3 |
1829 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N | 1830 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N |
1830 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1 | 1831 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1 |
1831 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1832 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1832 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1833 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1833 IONIZATION: ESI+ | 1834 IONIZATION: ESI+ |
1834 LICENSE: CC BY-NC | 1835 LICENSE: CC BY-NC |
1835 COMPOUND_NAME: Cyprodinil | |
1836 RETENTION_TIME: 6.669806 | 1836 RETENTION_TIME: 6.669806 |
1837 PRECURSOR_MZ: 226.1346 | 1837 PRECURSOR_MZ: 226.1346 |
1838 ADDUCT: [M+H]+ | 1838 ADDUCT: [M+H]+ |
1839 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1839 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1840 NUM PEAKS: 68 | 1840 NUM PEAKS: 68 |
1841 89.03882 250501.0 | 1841 89.03882 250501.0 |
1842 91.05441 2917894.0 | 1842 91.05441 2917894.0 |
1843 92.0498 1832571.0 | 1843 92.0498 1832571.0 |
1844 92.06236 327913.0 | 1844 92.06236 327913.0 |
1845 93.0575 7935048.0 | 1845 93.0575 7935048.0 |
1846 94.06544 551055.0 | 1846 94.06544 551055.0 |
1847 95.04928 1106686.0 | 1847 95.04928 1106686.0 |
1848 104.04984 578815.0 | 1848 104.04984 578815.0 |
1849 105.04505 751939.0 | 1849 105.04505 751939.0 |
1850 106.06546 3348979.0 | 1850 106.06546 3348979.0 |
1851 107.07314 366893.0 | 1851 107.07314 366893.0 |
1852 108.06842 996581.0 | 1852 108.06842 996581.0 |
1853 108.08108 5293585.0 | 1853 108.08108 5293585.0 |
1854 109.0761 435067.0 | 1854 109.0761 435067.0 |
1855 110.06014 373109.0 | 1855 110.06014 373109.0 |
1856 115.0543 340655.0 | 1856 115.0543 340655.0 |
1857 116.0497 1136768.0 | 1857 116.0497 1136768.0 |
1858 117.0574 936588.0 | 1858 117.0574 936588.0 |
1859 118.05279 3491518.0 | 1859 118.05279 3491518.0 |
1860 118.06519 1243941.0 | 1860 118.06519 1243941.0 |
1861 119.06059 3591314.0 | 1861 119.06059 3591314.0 |
1862 123.09197 364628.0 | 1862 123.09197 364628.0 |
1863 124.07606 563904.0 | 1863 124.07606 563904.0 |
1864 130.06528 192669.0 | 1864 130.06528 192669.0 |
1865 131.06062 1377516.0 | 1865 131.06062 1377516.0 |
1866 132.06825 1932161.0 | 1866 132.06825 1932161.0 |
1867 133.07642 3211678.0 | 1867 133.07642 3211678.0 |
1868 134.06033 753709.0 | 1868 134.06033 753709.0 |
1869 142.06525 584454.0 | 1869 142.06525 584454.0 |
1870 143.06068 1778669.0 | 1870 143.06068 1778669.0 |
1871 143.07307 279220.0 | 1871 143.07307 279220.0 |
1872 144.05594 191195.0 | 1872 144.05594 191195.0 |
1873 144.08099 2104332.0 | 1873 144.08099 2104332.0 |
1874 145.07616 882365.0 | 1874 145.07616 882365.0 |
1875 149.07127 251299.0 | 1875 149.07127 251299.0 |
1876 156.06825 169085.0 | 1876 156.06825 169085.0 |
1877 157.0762 329957.0 | 1877 157.0762 329957.0 |
1878 158.0838 181590.0 | 1878 158.0838 181590.0 |
1879 159.09198 963940.0 | 1879 159.09198 963940.0 |
1880 165.06998 303199.0 | 1880 165.06998 303199.0 |
1881 167.06058 287846.0 | 1881 167.06058 287846.0 |
1882 167.07332 1087973.0 | 1882 167.07332 1087973.0 |
1883 168.06824 523675.0 | 1883 168.06824 523675.0 |
1884 168.08109 896186.0 | 1884 168.08109 896186.0 |
1885 169.07619 575896.0 | 1885 169.07619 575896.0 |
1886 170.0843 204211.0 | 1886 170.0843 204211.0 |
1887 171.09184 238779.0 | 1887 171.09184 238779.0 |
1888 181.07629 410526.0 | 1888 181.07629 410526.0 |
1889 182.08427 540213.0 | 1889 182.08427 540213.0 |
1890 182.09682 243307.0 | 1890 182.09682 243307.0 |
1891 183.07944 619682.0 | 1891 183.07944 619682.0 |
1892 183.09206 583441.0 | 1892 183.09206 583441.0 |
1893 184.08746 1461784.0 | 1893 184.08746 1461784.0 |
1894 185.10789 904319.0 | 1894 185.10789 904319.0 |
1895 191.07323 180652.0 | 1895 191.07323 180652.0 |
1896 193.07642 1237200.0 | 1896 193.07642 1237200.0 |
1897 194.08405 2240403.0 | 1897 194.08405 2240403.0 |
1898 196.08698 270421.0 | 1898 196.08698 270421.0 |
1899 197.09528 430359.0 | 1899 197.09528 430359.0 |
1900 198.10313 664506.0 | 1900 198.10313 664506.0 |
1901 199.11044 212040.0 | 1901 199.11044 212040.0 |
1902 207.0918 1191559.0 | 1902 207.0918 1191559.0 |
1903 208.10004 666594.0 | 1903 208.10004 666594.0 |
1904 209.10754 1644491.0 | 1904 209.10754 1644491.0 |
1905 210.10275 4134248.0 | 1905 210.10275 4134248.0 |
1906 211.11086 699261.0 | 1906 211.11086 699261.0 |
1907 224.1181 912227.0 | 1907 224.1181 912227.0 |
1908 226.13422 16374867.0 | 1908 226.13422 16374867.0 |
1909 | 1909 |
1910 COMPOUND_NAME: Cyromazine_1 | |
1910 SCANNUMBER: 614 | 1911 SCANNUMBER: 614 |
1911 IONMODE: positive | 1912 IONMODE: positive |
1912 SPECTRUMTYPE: Centroid | 1913 SPECTRUMTYPE: Centroid |
1913 FORMULA: C6H10N6 | 1914 FORMULA: C6H10N6 |
1914 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N | 1915 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N |
1915 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 | 1916 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 |
1916 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1917 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1917 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1918 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1918 IONIZATION: ESI+ | 1919 IONIZATION: ESI+ |
1919 LICENSE: CC BY-NC | 1920 LICENSE: CC BY-NC |
1920 COMPOUND_NAME: Cyromazine_1 | |
1921 RETENTION_TIME: 0.7250975 | 1921 RETENTION_TIME: 0.7250975 |
1922 PRECURSOR_MZ: 167.1043 | 1922 PRECURSOR_MZ: 167.1043 |
1923 ADDUCT: [M+H]+ | 1923 ADDUCT: [M+H]+ |
1924 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1924 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1925 NUM PEAKS: 9 | 1925 NUM PEAKS: 9 |
1926 85.05116 569181.0 | 1926 85.05116 569181.0 |
1927 108.05576 364390.0 | 1927 108.05576 364390.0 |
1928 110.0462 49797.0 | 1928 110.0462 49797.0 |
1929 125.08251 178192.0 | 1929 125.08251 178192.0 |
1930 127.07288 24861.0 | 1930 127.07288 24861.0 |
1931 139.07271 33973.0 | 1931 139.07271 33973.0 |
1932 150.0777 7345.0 | 1932 150.0777 7345.0 |
1933 151.07292 35146.0 | 1933 151.07292 35146.0 |
1934 167.10403 54669.0 | 1934 167.10403 54669.0 |
1935 | 1935 |
1936 COMPOUND_NAME: Cyromazine_2 | |
1936 SCANNUMBER: 946 | 1937 SCANNUMBER: 946 |
1937 IONMODE: positive | 1938 IONMODE: positive |
1938 SPECTRUMTYPE: Centroid | 1939 SPECTRUMTYPE: Centroid |
1939 FORMULA: C6H10N6 | 1940 FORMULA: C6H10N6 |
1940 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N | 1941 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N |
1941 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 | 1942 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 |
1942 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1943 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1943 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1944 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1944 IONIZATION: ESI+ | 1945 IONIZATION: ESI+ |
1945 LICENSE: CC BY-NC | 1946 LICENSE: CC BY-NC |
1946 COMPOUND_NAME: Cyromazine_2 | |
1947 RETENTION_TIME: 1.057777 | 1947 RETENTION_TIME: 1.057777 |
1948 PRECURSOR_MZ: 167.1043 | 1948 PRECURSOR_MZ: 167.1043 |
1949 ADDUCT: [M+H]+ | 1949 ADDUCT: [M+H]+ |
1950 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1950 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1951 NUM PEAKS: 12 | 1951 NUM PEAKS: 12 |
1952 85.05095 323769.0 | 1952 85.05095 323769.0 |
1953 100.08693 5287.0 | 1953 100.08693 5287.0 |
1954 108.05576 223896.0 | 1954 108.05576 223896.0 |
1955 110.0462 30873.0 | 1955 110.0462 30873.0 |
1956 112.06189 4105.0 | 1956 112.06189 4105.0 |
1957 125.08213 95867.0 | 1957 125.08213 95867.0 |
1958 127.07288 11228.0 | 1958 127.07288 11228.0 |
1959 139.07271 22781.0 | 1959 139.07271 22781.0 |
1960 150.0777 3986.0 | 1960 150.0777 3986.0 |
1961 151.07292 16833.0 | 1961 151.07292 16833.0 |
1962 155.01868 3272.0 | 1962 155.01868 3272.0 |
1963 167.10403 33800.0 | 1963 167.10403 33800.0 |
1964 | 1964 |
1965 COMPOUND_NAME: Dimoxystrobin | |
1965 SCANNUMBER: 7508 | 1966 SCANNUMBER: 7508 |
1966 IONMODE: positive | 1967 IONMODE: positive |
1967 SPECTRUMTYPE: Centroid | 1968 SPECTRUMTYPE: Centroid |
1968 FORMULA: C19H22N2O3 | 1969 FORMULA: C19H22N2O3 |
1969 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N | 1970 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N |
1970 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O | 1971 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O |
1971 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 1972 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
1972 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 1973 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
1973 IONIZATION: ESI+ | 1974 IONIZATION: ESI+ |
1974 LICENSE: CC BY-NC | 1975 LICENSE: CC BY-NC |
1975 COMPOUND_NAME: Dimoxystrobin | |
1976 RETENTION_TIME: 7.042906 | 1976 RETENTION_TIME: 7.042906 |
1977 PRECURSOR_MZ: 327.1716 | 1977 PRECURSOR_MZ: 327.1716 |
1978 ADDUCT: [M+H]+ | 1978 ADDUCT: [M+H]+ |
1979 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 1979 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
1980 NUM PEAKS: 25 | 1980 NUM PEAKS: 25 |
1981 89.03882 267042.0 | 1981 89.03882 267042.0 |
1982 91.05465 1177860.0 | 1982 91.05465 1177860.0 |
1983 92.05786 587003.0 | 1983 92.05786 587003.0 |
1984 106.06546 63219.0 | 1984 106.06546 63219.0 |
1985 116.0497 4287725.0 | 1985 116.0497 4287725.0 |
1986 117.0574 207058.0 | 1986 117.0574 207058.0 |
1987 118.06553 62777.0 | 1987 118.06553 62777.0 |
1988 121.06523 72575.0 | 1988 121.06523 72575.0 |
1989 121.08883 992075.0 | 1989 121.08883 992075.0 |
1990 122.09238 613096.0 | 1990 122.09238 613096.0 |
1991 134.06033 559976.0 | 1991 134.06033 559976.0 |
1992 135.08092 79495.0 | 1992 135.08092 79495.0 |
1993 148.07639 58182.0 | 1993 148.07639 58182.0 |
1994 148.11266 1671042.0 | 1994 148.11266 1671042.0 |
1995 149.10986 53924.0 | 1995 149.10986 53924.0 |
1996 149.11572 1649040.0 | 1996 149.11572 1649040.0 |
1997 178.0778 129475.0 | 1997 178.0778 129475.0 |
1998 180.08119 207313.0 | 1998 180.08119 207313.0 |
1999 193.10162 104706.0 | 1999 193.10162 104706.0 |
2000 194.09711 110382.0 | 2000 194.09711 110382.0 |
2001 195.10469 223024.0 | 2001 195.10469 223024.0 |
2002 221.09647 105352.0 | 2002 221.09647 105352.0 |
2003 222.09152 46935.0 | 2003 222.09152 46935.0 |
2004 222.10396 66419.0 | 2004 222.10396 66419.0 |
2005 223.09956 719508.0 | 2005 223.09956 719508.0 |
2006 | 2006 |
2007 COMPOUND_NAME: Fenazaquin | |
2007 SCANNUMBER: 11226 | 2008 SCANNUMBER: 11226 |
2008 IONMODE: positive | 2009 IONMODE: positive |
2009 SPECTRUMTYPE: Centroid | 2010 SPECTRUMTYPE: Centroid |
2010 FORMULA: C20H22N2O | 2011 FORMULA: C20H22N2O |
2011 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N | 2012 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N |
2012 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C | 2013 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C |
2013 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2014 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2014 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2015 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2015 IONIZATION: ESI+ | 2016 IONIZATION: ESI+ |
2016 LICENSE: CC BY-NC | 2017 LICENSE: CC BY-NC |
2017 COMPOUND_NAME: Fenazaquin | |
2018 RETENTION_TIME: 7.977267 | 2018 RETENTION_TIME: 7.977267 |
2019 PRECURSOR_MZ: 307.1813 | 2019 PRECURSOR_MZ: 307.1813 |
2020 ADDUCT: [M+H]+ | 2020 ADDUCT: [M+H]+ |
2021 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2021 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2022 NUM PEAKS: 14 | 2022 NUM PEAKS: 14 |
2023 91.05441 199112.0 | 2023 91.05441 199112.0 |
2024 103.05439 73599.0 | 2024 103.05439 73599.0 |
2025 104.04984 64148.0 | 2025 104.04984 64148.0 |
2026 105.0702 917430.0 | 2026 105.0702 917430.0 |
2027 117.06997 181158.0 | 2027 117.06997 181158.0 |
2028 119.0857 712865.0 | 2028 119.0857 712865.0 |
2029 121.10135 76811.0 | 2029 121.10135 76811.0 |
2030 130.02905 143777.0 | 2030 130.02905 143777.0 |
2031 131.08598 2116571.0 | 2031 131.08598 2116571.0 |
2032 133.10155 485868.0 | 2032 133.10155 485868.0 |
2033 145.10149 85536.0 | 2033 145.10149 85536.0 |
2034 146.10915 4833104.0 | 2034 146.10915 4833104.0 |
2035 147.05551 4215618.0 | 2035 147.05551 4215618.0 |
2036 161.13255 3701806.0 | 2036 161.13255 3701806.0 |
2037 | 2037 |
2038 COMPOUND_NAME: Fenhexamid | |
2038 SCANNUMBER: 5614 | 2039 SCANNUMBER: 5614 |
2039 IONMODE: positive | 2040 IONMODE: positive |
2040 SPECTRUMTYPE: Centroid | 2041 SPECTRUMTYPE: Centroid |
2041 FORMULA: C14H17NO2Cl2 | 2042 FORMULA: C14H17NO2Cl2 |
2042 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N | 2043 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N |
2043 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1 | 2044 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1 |
2044 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2045 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2045 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2046 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2046 IONIZATION: ESI+ | 2047 IONIZATION: ESI+ |
2047 LICENSE: CC BY-NC | 2048 LICENSE: CC BY-NC |
2048 COMPOUND_NAME: Fenhexamid | |
2049 RETENTION_TIME: 6.679342 | 2049 RETENTION_TIME: 6.679342 |
2050 PRECURSOR_MZ: 302.0717 | 2050 PRECURSOR_MZ: 302.0717 |
2051 ADDUCT: [M+H]+ | 2051 ADDUCT: [M+H]+ |
2052 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2052 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2053 NUM PEAKS: 6 | 2053 NUM PEAKS: 6 |
2054 95.01299 111399.0 | 2054 95.01299 111399.0 |
2055 97.10134 4001007.0 | 2055 97.10134 4001007.0 |
2056 142.00574 470488.0 | 2056 142.00574 470488.0 |
2057 143.0134 1124724.0 | 2057 143.0134 1124724.0 |
2058 177.98218 162637.0 | 2058 177.98218 162637.0 |
2059 302.0708 49250.0 | 2059 302.0708 49250.0 |
2060 | 2060 |
2061 COMPOUND_NAME: Fenpyroximate | |
2061 SCANNUMBER: 10879 | 2062 SCANNUMBER: 10879 |
2062 IONMODE: positive | 2063 IONMODE: positive |
2063 SPECTRUMTYPE: Centroid | 2064 SPECTRUMTYPE: Centroid |
2064 FORMULA: C24H27N3O4 | 2065 FORMULA: C24H27N3O4 |
2065 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N | 2066 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N |
2066 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C | 2067 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C |
2067 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2068 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2068 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2069 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2069 IONIZATION: ESI+ | 2070 IONIZATION: ESI+ |
2070 LICENSE: CC BY-NC | 2071 LICENSE: CC BY-NC |
2071 COMPOUND_NAME: Fenpyroximate | |
2072 RETENTION_TIME: 7.825895 | 2072 RETENTION_TIME: 7.825895 |
2073 PRECURSOR_MZ: 422.2081 | 2073 PRECURSOR_MZ: 422.2081 |
2074 ADDUCT: [M+H]+ | 2074 ADDUCT: [M+H]+ |
2075 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2075 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2076 NUM PEAKS: 90 | 2076 NUM PEAKS: 90 |
2077 91.04206 117996.0 | 2077 91.04206 117996.0 |
2078 91.05465 106024.0 | 2078 91.05465 106024.0 |
2079 92.0498 87696.0 | 2079 92.0498 87696.0 |
2080 93.05774 260654.0 | 2080 93.05774 260654.0 |
2081 94.04169 108699.0 | 2081 94.04169 108699.0 |
2082 95.04953 62385.0 | 2082 95.04953 62385.0 |
2083 95.06073 350683.0 | 2083 95.06073 350683.0 |
2084 96.06861 923552.0 | 2084 96.06861 923552.0 |
2085 104.04984 232471.0 | 2085 104.04984 232471.0 |
2086 106.06546 218843.0 | 2086 106.06546 218843.0 |
2087 107.02439 77423.0 | 2087 107.02439 77423.0 |
2088 107.04966 430579.0 | 2088 107.04966 430579.0 |
2089 109.04004 148437.0 | 2089 109.04004 148437.0 |
2090 110.0716 266167.0 | 2090 110.0716 266167.0 |
2091 111.05566 267693.0 | 2091 111.05566 267693.0 |
2092 112.06348 143921.0 | 2092 112.06348 143921.0 |
2093 113.07121 165810.0 | 2093 113.07121 165810.0 |
2094 117.05774 475621.0 | 2094 117.05774 475621.0 |
2095 118.06553 207059.0 | 2095 118.06553 207059.0 |
2096 121.0638 98676.0 | 2096 121.0638 98676.0 |
2097 121.07632 211577.0 | 2097 121.07632 211577.0 |
2098 122.07175 1015735.0 | 2098 122.07175 1015735.0 |
2099 123.05569 588803.0 | 2099 123.05569 588803.0 |
2100 124.05084 136544.0 | 2100 124.05084 136544.0 |
2101 129.05762 234973.0 | 2101 129.05762 234973.0 |
2102 130.06567 646047.0 | 2102 130.06567 646047.0 |
2103 131.06102 64470.0 | 2103 131.06102 64470.0 |
2104 131.07352 162979.0 | 2104 131.07352 162979.0 |
2105 132.04504 124496.0 | 2105 132.04504 124496.0 |
2106 132.06866 204911.0 | 2106 132.06866 204911.0 |
2107 135.04469 1656891.0 | 2107 135.04469 1656891.0 |
2108 136.05099 82782.0 | 2108 136.05099 82782.0 |
2109 137.05911 95506.0 | 2109 137.05911 95506.0 |
2110 138.06671 5569473.0 | 2110 138.06671 5569473.0 |
2111 139.0507 103856.0 | 2111 139.0507 103856.0 |
2112 141.05769 86459.0 | 2112 141.05769 86459.0 |
2113 142.05298 63910.0 | 2113 142.05298 63910.0 |
2114 142.0657 196862.0 | 2114 142.0657 196862.0 |
2115 143.06068 233150.0 | 2115 143.06068 233150.0 |
2116 143.07355 214610.0 | 2116 143.07355 214610.0 |
2117 144.0448 925002.0 | 2117 144.0448 925002.0 |
2118 144.06847 64229.0 | 2118 144.06847 64229.0 |
2119 144.08099 258802.0 | 2119 144.08099 258802.0 |
2120 145.0527 116335.0 | 2120 145.0527 116335.0 |
2121 145.06537 86828.0 | 2121 145.06537 86828.0 |
2122 145.07661 796518.0 | 2122 145.07661 796518.0 |
2123 146.06033 143788.0 | 2123 146.06033 143788.0 |
2124 146.08401 227348.0 | 2124 146.08401 227348.0 |
2125 155.04976 327910.0 | 2125 155.04976 327910.0 |
2126 155.06065 279544.0 | 2126 155.06065 279544.0 |
2127 156.06877 75745.0 | 2127 156.06877 75745.0 |
2128 157.05295 67758.0 | 2128 157.05295 67758.0 |
2129 157.0614 631707.0 | 2129 157.0614 631707.0 |
2130 157.0762 440265.0 | 2130 157.0762 440265.0 |
2131 158.06033 63862.0 | 2131 158.06033 63862.0 |
2132 158.08434 1135306.0 | 2132 158.08434 1135306.0 |
2133 159.06828 1092296.0 | 2133 159.06828 1092296.0 |
2134 159.09198 191557.0 | 2134 159.09198 191557.0 |
2135 160.07613 68662.0 | 2135 160.07613 68662.0 |
2136 169.07677 248853.0 | 2136 169.07677 248853.0 |
2137 170.06049 475510.0 | 2137 170.06049 475510.0 |
2138 170.0843 65958.0 | 2138 170.0843 65958.0 |
2139 171.05582 124587.0 | 2139 171.05582 124587.0 |
2140 171.09184 186652.0 | 2140 171.09184 186652.0 |
2141 172.07626 63322.0 | 2141 172.07626 63322.0 |
2142 172.08717 90299.0 | 2142 172.08717 90299.0 |
2143 173.07166 613565.0 | 2143 173.07166 613565.0 |
2144 174.07939 186701.0 | 2144 174.07939 186701.0 |
2145 174.10281 124566.0 | 2145 174.10281 124566.0 |
2146 183.0555 60224.0 | 2146 183.0555 60224.0 |
2147 185.0714 282332.0 | 2147 185.0714 282332.0 |
2148 186.05576 83272.0 | 2148 186.05576 83272.0 |
2149 186.10275 837404.0 | 2149 186.10275 837404.0 |
2150 187.08711 307005.0 | 2150 187.08711 307005.0 |
2151 187.11115 179545.0 | 2151 187.11115 179545.0 |
2152 188.08208 68182.0 | 2152 188.08208 68182.0 |
2153 188.09454 56664.0 | 2153 188.09454 56664.0 |
2154 189.10245 172485.0 | 2154 189.10245 172485.0 |
2155 197.0715 161124.0 | 2155 197.0715 161124.0 |
2156 198.07919 265419.0 | 2156 198.07919 265419.0 |
2157 199.07426 148687.0 | 2157 199.07426 148687.0 |
2158 199.08707 368116.0 | 2158 199.08707 368116.0 |
2159 200.08215 638373.0 | 2159 200.08215 638373.0 |
2160 201.10309 239504.0 | 2160 201.10309 239504.0 |
2161 202.09793 790032.0 | 2161 202.09793 790032.0 |
2162 214.09836 4878472.0 | 2162 214.09836 4878472.0 |
2163 215.10576 1548726.0 | 2163 215.10576 1548726.0 |
2164 230.09335 285190.0 | 2164 230.09335 285190.0 |
2165 231.10078 772223.0 | 2165 231.10078 772223.0 |
2166 366.14682 271014.0 | 2166 366.14682 271014.0 |
2167 | 2167 |
2168 COMPOUND_NAME: Flonicamid | |
2168 SCANNUMBER: 1609 | 2169 SCANNUMBER: 1609 |
2169 IONMODE: positive | 2170 IONMODE: positive |
2170 SPECTRUMTYPE: Centroid | 2171 SPECTRUMTYPE: Centroid |
2171 FORMULA: C9H6N3OF3 | 2172 FORMULA: C9H6N3OF3 |
2172 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N | 2173 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N |
2173 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O | 2174 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O |
2174 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2175 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2175 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2176 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2176 IONIZATION: ESI+ | 2177 IONIZATION: ESI+ |
2177 LICENSE: CC BY-NC | 2178 LICENSE: CC BY-NC |
2178 COMPOUND_NAME: Flonicamid | |
2179 RETENTION_TIME: 1.603478 | 2179 RETENTION_TIME: 1.603478 |
2180 PRECURSOR_MZ: 230.054 | 2180 PRECURSOR_MZ: 230.054 |
2181 ADDUCT: [M+H]+ | 2181 ADDUCT: [M+H]+ |
2182 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2182 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2183 NUM PEAKS: 22 | 2183 NUM PEAKS: 22 |
2184 98.04052 1513015.0 | 2184 98.04052 1513015.0 |
2185 101.01998 130358.0 | 2185 101.01998 130358.0 |
2186 126.03515 270418.0 | 2186 126.03515 270418.0 |
2187 128.0309 1130827.0 | 2187 128.0309 1130827.0 |
2188 129.03873 894240.0 | 2188 129.03873 894240.0 |
2189 134.04785 187862.0 | 2189 134.04785 187862.0 |
2190 135.03584 106359.0 | 2190 135.03584 106359.0 |
2191 136.04333 85854.0 | 2191 136.04333 85854.0 |
2192 140.03102 72212.0 | 2192 140.03102 72212.0 |
2193 144.02579 576288.0 | 2193 144.02579 576288.0 |
2194 146.02148 1739781.0 | 2194 146.02148 1739781.0 |
2195 147.02966 723489.0 | 2195 147.02966 723489.0 |
2196 148.03722 5717933.0 | 2196 148.03722 5717933.0 |
2197 153.04604 178370.0 | 2197 153.04604 178370.0 |
2198 155.04199 750642.0 | 2198 155.04199 750642.0 |
2199 156.02586 62411.0 | 2199 156.02586 62411.0 |
2200 164.03217 431199.0 | 2200 164.03217 431199.0 |
2201 174.01654 1374723.0 | 2201 174.01654 1374723.0 |
2202 175.0481 152887.0 | 2202 175.0481 152887.0 |
2203 176.0318 1685318.0 | 2203 176.0318 1685318.0 |
2204 183.0369 1014810.0 | 2204 183.0369 1014810.0 |
2205 203.04269 761411.0 | 2205 203.04269 761411.0 |
2206 | 2206 |
2207 COMPOUND_NAME: Fluoxastrobin | |
2207 SCANNUMBER: 7721 | 2208 SCANNUMBER: 7721 |
2208 IONMODE: positive | 2209 IONMODE: positive |
2209 SPECTRUMTYPE: Centroid | 2210 SPECTRUMTYPE: Centroid |
2210 FORMULA: C21H16N4O5ClF | 2211 FORMULA: C21H16N4O5ClF |
2211 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N | 2212 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N |
2212 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1 | 2213 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1 |
2213 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2214 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2214 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2215 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2215 IONIZATION: ESI+ | 2216 IONIZATION: ESI+ |
2216 LICENSE: CC BY-NC | 2217 LICENSE: CC BY-NC |
2217 COMPOUND_NAME: Fluoxastrobin | |
2218 RETENTION_TIME: 7.061409 | 2218 RETENTION_TIME: 7.061409 |
2219 PRECURSOR_MZ: 459.0882 | 2219 PRECURSOR_MZ: 459.0882 |
2220 ADDUCT: [M+H]+ | 2220 ADDUCT: [M+H]+ |
2221 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2221 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2222 NUM PEAKS: 85 | 2222 NUM PEAKS: 85 |
2223 90.03426 262008.0 | 2223 90.03426 262008.0 |
2224 93.0339 81235.0 | 2224 93.0339 81235.0 |
2225 95.04953 126363.0 | 2225 95.04953 126363.0 |
2226 104.04984 132927.0 | 2226 104.04984 132927.0 |
2227 105.04505 96553.0 | 2227 105.04505 96553.0 |
2228 106.02911 119639.0 | 2228 106.02911 119639.0 |
2229 111.04436 132213.0 | 2229 111.04436 132213.0 |
2230 118.05279 109270.0 | 2230 118.05279 109270.0 |
2231 119.03689 143696.0 | 2231 119.03689 143696.0 |
2232 120.04464 501451.0 | 2232 120.04464 501451.0 |
2233 122.04026 150489.0 | 2233 122.04026 150489.0 |
2234 129.01041 330269.0 | 2234 129.01041 330269.0 |
2235 129.04503 292390.0 | 2235 129.04503 292390.0 |
2236 130.02905 326516.0 | 2236 130.02905 326516.0 |
2237 130.04021 649052.0 | 2237 130.04021 649052.0 |
2238 132.04463 118853.0 | 2238 132.04463 118853.0 |
2239 134.04034 93930.0 | 2239 134.04034 93930.0 |
2240 138.011 2207225.0 | 2240 138.011 2207225.0 |
2241 138.99483 184424.0 | 2241 138.99483 184424.0 |
2242 139.00627 992155.0 | 2242 139.00627 992155.0 |
2243 144.03229 102927.0 | 2243 144.03229 102927.0 |
2244 145.04005 956703.0 | 2244 145.04005 956703.0 |
2245 150.03526 1178492.0 | 2245 150.03526 1178492.0 |
2246 151.00616 106379.0 | 2246 151.00616 106379.0 |
2247 154.04019 85122.0 | 2247 154.04019 85122.0 |
2248 157.04028 88434.0 | 2248 157.04028 88434.0 |
2249 159.036 96008.0 | 2249 159.036 96008.0 |
2250 160.02722 141264.0 | 2250 160.02722 141264.0 |
2251 160.04352 103289.0 | 2251 160.04352 103289.0 |
2252 161.03488 323066.0 | 2252 161.03488 323066.0 |
2253 162.03548 140596.0 | 2253 162.03548 140596.0 |
2254 162.04268 203634.0 | 2254 162.04268 203634.0 |
2255 162.0554 114359.0 | 2255 162.0554 114359.0 |
2256 163.00633 194952.0 | 2256 163.00633 194952.0 |
2257 163.05046 168483.0 | 2257 163.05046 168483.0 |
2258 164.03441 768408.0 | 2258 164.03441 768408.0 |
2259 168.00159 464518.0 | 2259 168.00159 464518.0 |
2260 170.03549 190735.0 | 2260 170.03549 190735.0 |
2261 175.03069 390492.0 | 2261 175.03069 390492.0 |
2262 176.0387 156295.0 | 2262 176.0387 156295.0 |
2263 178.02998 1064297.0 | 2263 178.02998 1064297.0 |
2264 179.00104 397625.0 | 2264 179.00104 397625.0 |
2265 183.99632 171687.0 | 2265 183.99632 171687.0 |
2266 188.03847 7591765.0 | 2266 188.03847 7591765.0 |
2267 188.05785 92062.0 | 2267 188.05785 92062.0 |
2268 189.04591 91704.0 | 2268 189.04591 91704.0 |
2269 190.04181 129380.0 | 2269 190.04181 129380.0 |
2270 191.02574 180590.0 | 2270 191.02574 180590.0 |
2271 202.04166 121581.0 | 2271 202.04166 121581.0 |
2272 205.04123 347646.0 | 2272 205.04123 347646.0 |
2273 205.06093 241613.0 | 2273 205.06093 241613.0 |
2274 214.00674 231209.0 | 2274 214.00674 231209.0 |
2275 214.0412 97985.0 | 2275 214.0412 97985.0 |
2276 216.05721 78878.0 | 2276 216.05721 78878.0 |
2277 218.03612 98376.0 | 2277 218.03612 98376.0 |
2278 223.00748 102872.0 | 2278 223.00748 102872.0 |
2279 223.9912 115573.0 | 2279 223.9912 115573.0 |
2280 225.05933 90781.0 | 2280 225.05933 90781.0 |
2281 228.04449 112509.0 | 2281 228.04449 112509.0 |
2282 229.02827 136264.0 | 2282 229.02827 136264.0 |
2283 230.03622 724472.0 | 2283 230.03622 724472.0 |
2284 240.04454 142077.0 | 2284 240.04454 142077.0 |
2285 241.05283 128789.0 | 2285 241.05283 128789.0 |
2286 244.05261 88750.0 | 2286 244.05261 88750.0 |
2287 246.0312 274116.0 | 2287 246.0312 274116.0 |
2288 251.06181 83031.0 | 2288 251.06181 83031.0 |
2289 252.06947 77596.0 | 2289 252.06947 77596.0 |
2290 255.03178 103007.0 | 2290 255.03178 103007.0 |
2291 257.04721 91609.0 | 2291 257.04721 91609.0 |
2292 266.01273 226670.0 | 2292 266.01273 226670.0 |
2293 274.06223 117152.0 | 2293 274.06223 117152.0 |
2294 277.06509 115503.0 | 2294 277.06509 115503.0 |
2295 278.07285 221625.0 | 2295 278.07285 221625.0 |
2296 279.05734 137186.0 | 2296 279.05734 137186.0 |
2297 280.06467 243149.0 | 2297 280.06467 243149.0 |
2298 304.0531 127719.0 | 2298 304.0531 127719.0 |
2299 306.0679 3047910.0 | 2299 306.0679 3047910.0 |
2300 313.04251 87383.0 | 2300 313.04251 87383.0 |
2301 315.03339 303129.0 | 2301 315.03339 303129.0 |
2302 318.06851 266951.0 | 2302 318.06851 266951.0 |
2303 331.0636 304000.0 | 2303 331.0636 304000.0 |
2304 340.02972 444209.0 | 2304 340.02972 444209.0 |
2305 342.04449 118004.0 | 2305 342.04449 118004.0 |
2306 367.03973 216560.0 | 2306 367.03973 216560.0 |
2307 383.03424 104628.0 | 2307 383.03424 104628.0 |
2308 | 2308 |
2309 COMPOUND_NAME: Flutolanil | |
2309 SCANNUMBER: 3979 | 2310 SCANNUMBER: 3979 |
2310 IONMODE: positive | 2311 IONMODE: positive |
2311 SPECTRUMTYPE: Centroid | 2312 SPECTRUMTYPE: Centroid |
2312 FORMULA: C17H16NO2F3 | 2313 FORMULA: C17H16NO2F3 |
2313 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N | 2314 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N |
2314 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C | 2315 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C |
2315 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2316 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2316 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2317 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2317 IONIZATION: ESI+ | 2318 IONIZATION: ESI+ |
2318 LICENSE: CC BY-NC | 2319 LICENSE: CC BY-NC |
2319 COMPOUND_NAME: Flutolanil | |
2320 RETENTION_TIME: 6.193638 | 2320 RETENTION_TIME: 6.193638 |
2321 PRECURSOR_MZ: 324.1214 | 2321 PRECURSOR_MZ: 324.1214 |
2322 ADDUCT: [M+H]+ | 2322 ADDUCT: [M+H]+ |
2323 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2323 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2324 NUM PEAKS: 12 | 2324 NUM PEAKS: 12 |
2325 111.04436 4020810.0 | 2325 111.04436 4020810.0 |
2326 121.03985 3392917.0 | 2326 121.03985 3392917.0 |
2327 130.02905 2402830.0 | 2327 130.02905 2402830.0 |
2328 145.02599 877135.0 | 2328 145.02599 877135.0 |
2329 166.06538 168609.0 | 2329 166.06538 168609.0 |
2330 173.02094 3306207.0 | 2330 173.02094 3306207.0 |
2331 194.0601 203214.0 | 2331 194.0601 203214.0 |
2332 214.06641 383897.0 | 2332 214.06641 383897.0 |
2333 222.05511 217155.0 | 2333 222.05511 217155.0 |
2334 242.05533 161728.0 | 2334 242.05533 161728.0 |
2335 242.06139 15929322.0 | 2335 242.06139 15929322.0 |
2336 262.06796 878870.0 | 2336 262.06796 878870.0 |
2337 | 2337 |
2338 COMPOUND_NAME: Furalaxyl | |
2338 SCANNUMBER: 3970 | 2339 SCANNUMBER: 3970 |
2339 IONMODE: positive | 2340 IONMODE: positive |
2340 SPECTRUMTYPE: Centroid | 2341 SPECTRUMTYPE: Centroid |
2341 FORMULA: C17H19NO4 | 2342 FORMULA: C17H19NO4 |
2342 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N | 2343 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N |
2343 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C | 2344 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C |
2344 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2345 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2345 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2346 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2346 IONIZATION: ESI+ | 2347 IONIZATION: ESI+ |
2347 LICENSE: CC BY-NC | 2348 LICENSE: CC BY-NC |
2348 COMPOUND_NAME: Furalaxyl | |
2349 RETENTION_TIME: 6.193638 | 2349 RETENTION_TIME: 6.193638 |
2350 PRECURSOR_MZ: 302.1392 | 2350 PRECURSOR_MZ: 302.1392 |
2351 ADDUCT: [M+H]+ | 2351 ADDUCT: [M+H]+ |
2352 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2352 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2353 NUM PEAKS: 1 | 2353 NUM PEAKS: 1 |
2354 95.01299 22120298.0 | 2354 95.01299 22120298.0 |
2355 | 2355 |
2356 COMPOUND_NAME: Imazalil | |
2356 SCANNUMBER: 2732 | 2357 SCANNUMBER: 2732 |
2357 IONMODE: positive | 2358 IONMODE: positive |
2358 SPECTRUMTYPE: Centroid | 2359 SPECTRUMTYPE: Centroid |
2359 FORMULA: C14H14N2OCl2 | 2360 FORMULA: C14H14N2OCl2 |
2360 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N | 2361 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N |
2361 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1 | 2362 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1 |
2362 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2363 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2363 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2364 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2364 IONIZATION: ESI+ | 2365 IONIZATION: ESI+ |
2365 LICENSE: CC BY-NC | 2366 LICENSE: CC BY-NC |
2366 COMPOUND_NAME: Imazalil | |
2367 RETENTION_TIME: 3.913752 | 2367 RETENTION_TIME: 3.913752 |
2368 PRECURSOR_MZ: 297.0566 | 2368 PRECURSOR_MZ: 297.0566 |
2369 ADDUCT: [M+H]+ | 2369 ADDUCT: [M+H]+ |
2370 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2370 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2371 NUM PEAKS: 17 | 2371 NUM PEAKS: 17 |
2372 102.04659 83349.0 | 2372 102.04659 83349.0 |
2373 109.0761 370634.0 | 2373 109.0761 370634.0 |
2374 122.99966 169161.0 | 2374 122.99966 169161.0 |
2375 129.07021 173674.0 | 2375 129.07021 173674.0 |
2376 137.01562 175055.0 | 2376 137.01562 175055.0 |
2377 138.02319 151710.0 | 2377 138.02319 151710.0 |
2378 141.0703 676682.0 | 2378 141.0703 676682.0 |
2379 149.01559 103927.0 | 2379 149.01559 103927.0 |
2380 150.02344 201572.0 | 2380 150.02344 201572.0 |
2381 158.97626 8128112.0 | 2381 158.97626 8128112.0 |
2382 164.03893 173925.0 | 2382 164.03893 173925.0 |
2383 172.99223 1736974.0 | 2383 172.99223 1736974.0 |
2384 175.03131 122074.0 | 2384 175.03131 122074.0 |
2385 176.0387 901695.0 | 2385 176.0387 901695.0 |
2386 186.97179 139839.0 | 2386 186.97179 139839.0 |
2387 200.98682 142186.0 | 2387 200.98682 142186.0 |
2388 255.00883 411510.0 | 2388 255.00883 411510.0 |
2389 | 2389 |
2390 COMPOUND_NAME: Imidacloprid | |
2390 SCANNUMBER: 2109 | 2391 SCANNUMBER: 2109 |
2391 IONMODE: positive | 2392 IONMODE: positive |
2392 SPECTRUMTYPE: Centroid | 2393 SPECTRUMTYPE: Centroid |
2393 FORMULA: C9H10N5O2Cl | 2394 FORMULA: C9H10N5O2Cl |
2394 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N | 2395 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N |
2395 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl | 2396 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl |
2396 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2397 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2397 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2398 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2398 IONIZATION: ESI+ | 2399 IONIZATION: ESI+ |
2399 LICENSE: CC BY-NC | 2400 LICENSE: CC BY-NC |
2400 COMPOUND_NAME: Imidacloprid | |
2401 RETENTION_TIME: 3.079668 | 2401 RETENTION_TIME: 3.079668 |
2402 PRECURSOR_MZ: 256.0602 | 2402 PRECURSOR_MZ: 256.0602 |
2403 ADDUCT: [M+H]+ | 2403 ADDUCT: [M+H]+ |
2404 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2404 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2405 NUM PEAKS: 36 | 2405 NUM PEAKS: 36 |
2406 99.05553 45726.0 | 2406 99.05553 45726.0 |
2407 105.04505 49039.0 | 2407 105.04505 49039.0 |
2408 106.06546 54345.0 | 2408 106.06546 54345.0 |
2409 107.06065 64812.0 | 2409 107.06065 64812.0 |
2410 113.00283 42520.0 | 2410 113.00283 42520.0 |
2411 119.04804 44604.0 | 2411 119.04804 44604.0 |
2412 119.06059 69901.0 | 2412 119.06059 69901.0 |
2413 120.05593 48869.0 | 2413 120.05593 48869.0 |
2414 126.01085 269914.0 | 2414 126.01085 269914.0 |
2415 127.01869 53555.0 | 2415 127.01869 53555.0 |
2416 128.02625 263416.0 | 2416 128.02625 263416.0 |
2417 131.06062 65155.0 | 2417 131.06062 65155.0 |
2418 132.05562 39478.0 | 2418 132.05562 39478.0 |
2419 133.06364 158210.0 | 2419 133.06364 158210.0 |
2420 133.076 126641.0 | 2420 133.076 126641.0 |
2421 134.07159 138270.0 | 2421 134.07159 138270.0 |
2422 141.02173 133666.0 | 2422 141.02173 133666.0 |
2423 146.05891 66316.0 | 2423 146.05891 66316.0 |
2424 146.0717 317182.0 | 2424 146.0717 317182.0 |
2425 147.06651 418911.0 | 2425 147.06651 418911.0 |
2426 148.08702 165957.0 | 2426 148.08702 165957.0 |
2427 158.07153 211685.0 | 2427 158.07153 211685.0 |
2428 159.06667 39062.0 | 2428 159.06667 39062.0 |
2429 159.07906 265140.0 | 2429 159.07906 265140.0 |
2430 166.01717 43422.0 | 2430 166.01717 43422.0 |
2431 167.03738 137027.0 | 2431 167.03738 137027.0 |
2432 173.08266 507123.0 | 2432 173.08266 507123.0 |
2433 174.09048 481291.0 | 2433 174.09048 481291.0 |
2434 175.09782 2784924.0 | 2434 175.09782 2784924.0 |
2435 180.03256 49532.0 | 2435 180.03256 49532.0 |
2436 181.02791 160573.0 | 2436 181.02791 160573.0 |
2437 191.09306 100802.0 | 2437 191.09306 100802.0 |
2438 194.04849 73037.0 | 2438 194.04849 73037.0 |
2439 208.05171 91411.0 | 2439 208.05171 91411.0 |
2440 209.05724 1316587.0 | 2440 209.05724 1316587.0 |
2441 209.05885 3531093.0 | 2441 209.05885 3531093.0 |
2442 | 2442 |
2443 COMPOUND_NAME: Mandipropamid | |
2443 SCANNUMBER: 7168 | 2444 SCANNUMBER: 7168 |
2444 IONMODE: positive | 2445 IONMODE: positive |
2445 SPECTRUMTYPE: Centroid | 2446 SPECTRUMTYPE: Centroid |
2446 FORMULA: C23H22NO4Cl | 2447 FORMULA: C23H22NO4Cl |
2447 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N | 2448 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N |
2448 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O | 2449 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O |
2449 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2450 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2450 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2451 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2451 IONIZATION: ESI+ | 2452 IONIZATION: ESI+ |
2452 LICENSE: CC BY-NC | 2453 LICENSE: CC BY-NC |
2453 COMPOUND_NAME: Mandipropamid | |
2454 RETENTION_TIME: 6.964275 | 2454 RETENTION_TIME: 6.964275 |
2455 PRECURSOR_MZ: 412.1314 | 2455 PRECURSOR_MZ: 412.1314 |
2456 ADDUCT: [M+H]+ | 2456 ADDUCT: [M+H]+ |
2457 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2457 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2458 NUM PEAKS: 5 | 2458 NUM PEAKS: 5 |
2459 204.10207 530532.0 | 2459 204.10207 530532.0 |
2460 328.11053 16472820.0 | 2460 328.11053 16472820.0 |
2461 356.10495 7175862.0 | 2461 356.10495 7175862.0 |
2462 412.04471 215694.0 | 2462 412.04471 215694.0 |
2463 412.13226 2828841.0 | 2463 412.13226 2828841.0 |
2464 | 2464 |
2465 COMPOUND_NAME: Mepanipyrim | |
2465 SCANNUMBER: 7089 | 2466 SCANNUMBER: 7089 |
2466 IONMODE: positive | 2467 IONMODE: positive |
2467 SPECTRUMTYPE: Centroid | 2468 SPECTRUMTYPE: Centroid |
2468 FORMULA: C14H13N3 | 2469 FORMULA: C14H13N3 |
2469 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N | 2470 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N |
2470 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C | 2471 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C |
2471 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2472 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2472 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2473 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2473 IONIZATION: ESI+ | 2474 IONIZATION: ESI+ |
2474 LICENSE: CC BY-NC | 2475 LICENSE: CC BY-NC |
2475 COMPOUND_NAME: Mepanipyrim | |
2476 RETENTION_TIME: 6.936112 | 2476 RETENTION_TIME: 6.936112 |
2477 PRECURSOR_MZ: 224.1185 | 2477 PRECURSOR_MZ: 224.1185 |
2478 ADDUCT: [M+H]+ | 2478 ADDUCT: [M+H]+ |
2479 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2479 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2480 NUM PEAKS: 102 | 2480 NUM PEAKS: 102 |
2481 89.03882 517274.0 | 2481 89.03882 517274.0 |
2482 90.03403 2492239.0 | 2482 90.03403 2492239.0 |
2483 91.04182 279822.0 | 2483 91.04182 279822.0 |
2484 91.05441 689902.0 | 2484 91.05441 689902.0 |
2485 92.0498 1156467.0 | 2485 92.0498 1156467.0 |
2486 93.0575 1581720.0 | 2486 93.0575 1581720.0 |
2487 94.04169 907699.0 | 2487 94.04169 907699.0 |
2488 94.06544 4247548.0 | 2488 94.06544 4247548.0 |
2489 95.04928 7648441.0 | 2489 95.04928 7648441.0 |
2490 96.04461 836099.0 | 2490 96.04461 836099.0 |
2491 104.04984 9863130.0 | 2491 104.04984 9863130.0 |
2492 105.04505 4799141.0 | 2492 105.04505 4799141.0 |
2493 105.05748 280682.0 | 2493 105.05748 280682.0 |
2494 106.05285 481449.0 | 2494 106.05285 481449.0 |
2495 106.06546 21345988.0 | 2495 106.06546 21345988.0 |
2496 107.06065 1636304.0 | 2496 107.06065 1636304.0 |
2497 107.07314 792818.0 | 2497 107.07314 792818.0 |
2498 115.05464 3041902.0 | 2498 115.05464 3041902.0 |
2499 116.0497 1214108.0 | 2499 116.0497 1214108.0 |
2500 117.0574 623912.0 | 2500 117.0574 623912.0 |
2501 118.05279 352181.0 | 2501 118.05279 352181.0 |
2502 118.06553 2089902.0 | 2502 118.06553 2089902.0 |
2503 119.06059 6016274.0 | 2503 119.06059 6016274.0 |
2504 121.07632 4716914.0 | 2504 121.07632 4716914.0 |
2505 122.06017 546355.0 | 2505 122.06017 546355.0 |
2506 124.07606 570495.0 | 2506 124.07606 570495.0 |
2507 128.04958 351035.0 | 2507 128.04958 351035.0 |
2508 128.06239 268794.0 | 2508 128.06239 268794.0 |
2509 129.04503 342815.0 | 2509 129.04503 342815.0 |
2510 129.05762 223642.0 | 2510 129.05762 223642.0 |
2511 129.07021 809903.0 | 2511 129.07021 809903.0 |
2512 130.04021 505143.0 | 2512 130.04021 505143.0 |
2513 130.05293 226615.0 | 2513 130.05293 226615.0 |
2514 130.06528 631733.0 | 2514 130.06528 631733.0 |
2515 131.06062 6745162.0 | 2515 131.06062 6745162.0 |
2516 132.06825 1922003.0 | 2516 132.06825 1922003.0 |
2517 139.05466 759207.0 | 2517 139.05466 759207.0 |
2518 139.08679 888214.0 | 2518 139.08679 888214.0 |
2519 140.0497 2660486.0 | 2519 140.0497 2660486.0 |
2520 141.05769 432867.0 | 2520 141.05769 432867.0 |
2521 142.06525 4535240.0 | 2521 142.06525 4535240.0 |
2522 143.06068 6551342.0 | 2522 143.06068 6551342.0 |
2523 143.07307 827696.0 | 2523 143.07307 827696.0 |
2524 146.06033 239932.0 | 2524 146.06033 239932.0 |
2525 146.0717 582762.0 | 2525 146.0717 582762.0 |
2526 147.07945 1981982.0 | 2526 147.07945 1981982.0 |
2527 149.07127 472905.0 | 2527 149.07127 472905.0 |
2528 152.06248 907036.0 | 2528 152.06248 907036.0 |
2529 153.06992 747588.0 | 2529 153.06992 747588.0 |
2530 154.06532 634466.0 | 2530 154.06532 634466.0 |
2531 155.06065 477098.0 | 2531 155.06065 477098.0 |
2532 156.06825 343240.0 | 2532 156.06825 343240.0 |
2533 156.08081 938982.0 | 2533 156.08081 938982.0 |
2534 157.0762 689823.0 | 2534 157.0762 689823.0 |
2535 157.08888 215289.0 | 2535 157.08888 215289.0 |
2536 158.08434 241364.0 | 2536 158.08434 241364.0 |
2537 159.09198 967686.0 | 2537 159.09198 967686.0 |
2538 160.07613 1334605.0 | 2538 160.07613 1334605.0 |
2539 165.05745 274138.0 | 2539 165.05745 274138.0 |
2540 166.06538 1659086.0 | 2540 166.06538 1659086.0 |
2541 167.06058 783829.0 | 2541 167.06058 783829.0 |
2542 167.07332 1978108.0 | 2542 167.07332 1978108.0 |
2543 168.06824 5290008.0 | 2543 168.06824 5290008.0 |
2544 168.08109 220063.0 | 2544 168.08109 220063.0 |
2545 169.06438 286507.0 | 2545 169.06438 286507.0 |
2546 169.07619 592750.0 | 2546 169.07619 592750.0 |
2547 170.0968 225887.0 | 2547 170.0968 225887.0 |
2548 178.06569 490619.0 | 2548 178.06569 490619.0 |
2549 179.06082 272597.0 | 2549 179.06082 272597.0 |
2550 179.07304 1573880.0 | 2550 179.07304 1573880.0 |
2551 180.08119 4503916.0 | 2551 180.08119 4503916.0 |
2552 181.07629 4276790.0 | 2552 181.07629 4276790.0 |
2553 181.08871 558180.0 | 2553 181.08871 558180.0 |
2554 182.08427 8178091.0 | 2554 182.08427 8178091.0 |
2555 182.09682 299282.0 | 2555 182.09682 299282.0 |
2556 183.07944 1118528.0 | 2556 183.07944 1118528.0 |
2557 183.09206 3652070.0 | 2557 183.09206 3652070.0 |
2558 184.08746 3084619.0 | 2558 184.08746 3084619.0 |
2559 184.09952 366883.0 | 2559 184.09952 366883.0 |
2560 185.0714 378043.0 | 2560 185.0714 378043.0 |
2561 190.06572 671329.0 | 2561 190.06572 671329.0 |
2562 191.06046 256444.0 | 2562 191.06046 256444.0 |
2563 191.07323 287427.0 | 2563 191.07323 287427.0 |
2564 192.06876 5238670.0 | 2564 192.06876 5238670.0 |
2565 193.07642 340761.0 | 2565 193.07642 340761.0 |
2566 194.0717 335171.0 | 2566 194.0717 335171.0 |
2567 194.08405 455850.0 | 2567 194.08405 455850.0 |
2568 195.09225 1664615.0 | 2568 195.09225 1664615.0 |
2569 196.0995 1003846.0 | 2569 196.0995 1003846.0 |
2570 197.09528 319437.0 | 2570 197.09528 319437.0 |
2571 197.10789 734438.0 | 2571 197.10789 734438.0 |
2572 205.07669 7605397.0 | 2572 205.07669 7605397.0 |
2573 206.08452 12079029.0 | 2573 206.08452 12079029.0 |
2574 207.0798 627312.0 | 2574 207.0798 627312.0 |
2575 207.0918 5892684.0 | 2575 207.0918 5892684.0 |
2576 208.08714 6327165.0 | 2576 208.08714 6327165.0 |
2577 208.09923 895713.0 | 2577 208.09923 895713.0 |
2578 209.09537 7619410.0 | 2578 209.09537 7619410.0 |
2579 221.09558 532629.0 | 2579 221.09558 532629.0 |
2580 222.10307 5281894.0 | 2580 222.10307 5281894.0 |
2581 223.11121 2054946.0 | 2581 223.11121 2054946.0 |
2582 224.119 13923746.0 | 2582 224.119 13923746.0 |
2583 | 2583 |
2584 COMPOUND_NAME: Dinotefuran | |
2584 SCANNUMBER: 1471 | 2585 SCANNUMBER: 1471 |
2585 IONMODE: positive | 2586 IONMODE: positive |
2586 SPECTRUMTYPE: Centroid | 2587 SPECTRUMTYPE: Centroid |
2587 FORMULA: C7H14N4O3 | 2588 FORMULA: C7H14N4O3 |
2588 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N | 2589 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N |
2589 SMILES: CN=C(NN(=O)=O)NCC1COCC1 | 2590 SMILES: CN=C(NN(=O)=O)NCC1COCC1 |
2590 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2591 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2591 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2592 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2592 IONIZATION: ESI+ | 2593 IONIZATION: ESI+ |
2593 LICENSE: CC BY-NC | 2594 LICENSE: CC BY-NC |
2594 COMPOUND_NAME: Dinotefuran | |
2595 RETENTION_TIME: 1.502809 | 2595 RETENTION_TIME: 1.502809 |
2596 PRECURSOR_MZ: 203.1141 | 2596 PRECURSOR_MZ: 203.1141 |
2597 ADDUCT: [M+H]+ | 2597 ADDUCT: [M+H]+ |
2598 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2598 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2599 NUM PEAKS: 13 | 2599 NUM PEAKS: 13 |
2600 87.07939 212770.0 | 2600 87.07939 212770.0 |
2601 100.0872 147065.0 | 2601 100.0872 147065.0 |
2602 101.09495 14292.0 | 2602 101.09495 14292.0 |
2603 112.08705 103076.0 | 2603 112.08705 103076.0 |
2604 113.09509 522233.0 | 2604 113.09509 522233.0 |
2605 114.10273 536607.0 | 2605 114.10273 536607.0 |
2606 127.11057 50518.0 | 2606 127.11057 50518.0 |
2607 128.11842 69200.0 | 2607 128.11842 69200.0 |
2608 129.08989 1106553.0 | 2608 129.08989 1106553.0 |
2609 129.12611 128089.0 | 2609 129.12611 128089.0 |
2610 157.12112 345152.0 | 2610 157.12112 345152.0 |
2611 173.11627 46987.0 | 2611 173.11627 46987.0 |
2612 203.11415 399504.0 | 2612 203.11415 399504.0 |
2613 | 2613 |
2614 COMPOUND_NAME: Metaflumizone | |
2614 SCANNUMBER: 8648 | 2615 SCANNUMBER: 8648 |
2615 IONMODE: positive | 2616 IONMODE: positive |
2616 SPECTRUMTYPE: Centroid | 2617 SPECTRUMTYPE: Centroid |
2617 FORMULA: C24H16N4O2F6 | 2618 FORMULA: C24H16N4O2F6 |
2618 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N | 2619 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N |
2619 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F | 2620 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F |
2620 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2621 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2621 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2622 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2622 IONIZATION: ESI+ | 2623 IONIZATION: ESI+ |
2623 LICENSE: CC BY-NC | 2624 LICENSE: CC BY-NC |
2624 COMPOUND_NAME: Metaflumizone | |
2625 RETENTION_TIME: 7.19479 | 2625 RETENTION_TIME: 7.19479 |
2626 PRECURSOR_MZ: 507.1251 | 2626 PRECURSOR_MZ: 507.1251 |
2627 ADDUCT: [M+H]+ | 2627 ADDUCT: [M+H]+ |
2628 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2628 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2629 NUM PEAKS: 33 | 2629 NUM PEAKS: 33 |
2630 89.03882 112603.0 | 2630 89.03882 112603.0 |
2631 92.0498 159120.0 | 2631 92.0498 159120.0 |
2632 93.0575 96261.0 | 2632 93.0575 96261.0 |
2633 110.06045 137716.0 | 2633 110.06045 137716.0 |
2634 116.0497 2188022.0 | 2634 116.0497 2188022.0 |
2635 128.04958 82526.0 | 2635 128.04958 82526.0 |
2636 159.04192 72170.0 | 2636 159.04192 72170.0 |
2637 171.04201 111513.0 | 2637 171.04201 111513.0 |
2638 174.05289 67561.0 | 2638 174.05289 67561.0 |
2639 176.03242 127986.0 | 2639 176.03242 127986.0 |
2640 177.04025 145377.0 | 2640 177.04025 145377.0 |
2641 178.04784 4081576.0 | 2641 178.04784 4081576.0 |
2642 190.065 44917.0 | 2642 190.065 44917.0 |
2643 191.07323 105042.0 | 2643 191.07323 105042.0 |
2644 204.02695 55744.0 | 2644 204.02695 55744.0 |
2645 218.08452 1276107.0 | 2645 218.08452 1276107.0 |
2646 219.09236 53088.0 | 2646 219.09236 53088.0 |
2647 220.05638 42611.0 | 2647 220.05638 42611.0 |
2648 221.05324 329863.0 | 2648 221.05324 329863.0 |
2649 233.05731 59799.0 | 2649 233.05731 59799.0 |
2650 238.06659 64784.0 | 2650 238.06659 64784.0 |
2651 240.06252 447032.0 | 2651 240.06252 447032.0 |
2652 245.07082 222043.0 | 2652 245.07082 222043.0 |
2653 247.06392 273902.0 | 2653 247.06392 273902.0 |
2654 247.06705 1414469.0 | 2654 247.06705 1414469.0 |
2655 260.0687 348712.0 | 2655 260.0687 348712.0 |
2656 267.07318 2569566.0 | 2656 267.07318 2569566.0 |
2657 273.06406 84541.0 | 2657 273.06406 84541.0 |
2658 273.07617 78440.0 | 2658 273.07617 78440.0 |
2659 286.07156 143270.0 | 2659 286.07156 143270.0 |
2660 287.07932 2154516.0 | 2660 287.07932 2154516.0 |
2661 288.0871 575359.0 | 2661 288.0871 575359.0 |
2662 330.08609 207585.0 | 2662 330.08609 207585.0 |
2663 | 2663 |
2664 COMPOUND_NAME: Metalaxyl | |
2664 SCANNUMBER: 3592 | 2665 SCANNUMBER: 3592 |
2665 IONMODE: positive | 2666 IONMODE: positive |
2666 SPECTRUMTYPE: Centroid | 2667 SPECTRUMTYPE: Centroid |
2667 FORMULA: C15H21NO4 | 2668 FORMULA: C15H21NO4 |
2668 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N | 2669 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N |
2669 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C | 2670 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C |
2670 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2671 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2671 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2672 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2672 IONIZATION: ESI+ | 2673 IONIZATION: ESI+ |
2673 LICENSE: CC BY-NC | 2674 LICENSE: CC BY-NC |
2674 COMPOUND_NAME: Metalaxyl | |
2675 RETENTION_TIME: 5.550616 | 2675 RETENTION_TIME: 5.550616 |
2676 PRECURSOR_MZ: 280.1547 | 2676 PRECURSOR_MZ: 280.1547 |
2677 ADDUCT: [M+H]+ | 2677 ADDUCT: [M+H]+ |
2678 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2678 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2679 NUM PEAKS: 24 | 2679 NUM PEAKS: 24 |
2680 91.05441 81742.0 | 2680 91.05441 81742.0 |
2681 105.06991 446715.0 | 2681 105.06991 446715.0 |
2682 117.0574 85397.0 | 2682 117.0574 85397.0 |
2683 118.06519 181419.0 | 2683 118.06519 181419.0 |
2684 119.0857 203031.0 | 2684 119.0857 203031.0 |
2685 120.081 86040.0 | 2685 120.081 86040.0 |
2686 121.08883 168662.0 | 2686 121.08883 168662.0 |
2687 130.06528 459915.0 | 2687 130.06528 459915.0 |
2688 131.0731 294735.0 | 2688 131.0731 294735.0 |
2689 132.08089 1629425.0 | 2689 132.08089 1629425.0 |
2690 133.08878 1053467.0 | 2690 133.08878 1053467.0 |
2691 134.09659 2186175.0 | 2691 134.09659 2186175.0 |
2692 144.08099 390383.0 | 2692 144.08099 390383.0 |
2693 145.08881 2412390.0 | 2693 145.08881 2412390.0 |
2694 146.09682 729220.0 | 2694 146.09682 729220.0 |
2695 147.10434 123350.0 | 2695 147.10434 123350.0 |
2696 148.11217 2255058.0 | 2696 148.11217 2255058.0 |
2697 150.09151 223495.0 | 2697 150.09151 223495.0 |
2698 158.0966 105904.0 | 2698 158.0966 105904.0 |
2699 160.11201 8036024.0 | 2699 160.11201 8036024.0 |
2700 162.12798 1800051.0 | 2700 162.12798 1800051.0 |
2701 164.10716 139534.0 | 2701 164.10716 139534.0 |
2702 192.13879 614235.0 | 2702 192.13879 614235.0 |
2703 220.13348 136200.0 | 2703 220.13348 136200.0 |
2704 | 2704 |
2705 COMPOUND_NAME: Myclobutanil | |
2705 SCANNUMBER: 4181 | 2706 SCANNUMBER: 4181 |
2706 IONMODE: positive | 2707 IONMODE: positive |
2707 SPECTRUMTYPE: Centroid | 2708 SPECTRUMTYPE: Centroid |
2708 FORMULA: C15H17N4Cl | 2709 FORMULA: C15H17N4Cl |
2709 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N | 2710 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N |
2710 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N | 2711 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N |
2711 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2712 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2712 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2713 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2713 IONIZATION: ESI+ | 2714 IONIZATION: ESI+ |
2714 LICENSE: CC BY-NC | 2715 LICENSE: CC BY-NC |
2715 COMPOUND_NAME: Myclobutanil | |
2716 RETENTION_TIME: 6.259462 | 2716 RETENTION_TIME: 6.259462 |
2717 PRECURSOR_MZ: 289.1221 | 2717 PRECURSOR_MZ: 289.1221 |
2718 ADDUCT: [M+H]+ | 2718 ADDUCT: [M+H]+ |
2719 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2719 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2720 NUM PEAKS: 18 | 2720 NUM PEAKS: 18 |
2721 89.03882 46919.0 | 2721 89.03882 46919.0 |
2722 98.99973 29039.0 | 2722 98.99973 29039.0 |
2723 115.05431 84807.0 | 2723 115.05431 84807.0 |
2724 116.06212 93918.0 | 2724 116.06212 93918.0 |
2725 125.01308 47666.0 | 2725 125.01308 47666.0 |
2726 125.01533 2894088.0 | 2726 125.01533 2894088.0 |
2727 128.04958 45144.0 | 2727 128.04958 45144.0 |
2728 130.06528 66651.0 | 2728 130.06528 66651.0 |
2729 137.01562 42490.0 | 2729 137.01562 42490.0 |
2730 149.01559 47429.0 | 2730 149.01559 47429.0 |
2731 150.0106 90969.0 | 2731 150.0106 90969.0 |
2732 151.03107 531808.0 | 2732 151.03107 531808.0 |
2733 153.06992 32172.0 | 2733 153.06992 32172.0 |
2734 164.02652 222253.0 | 2734 164.02652 222253.0 |
2735 166.04185 38601.0 | 2735 166.04185 38601.0 |
2736 168.09337 31175.0 | 2736 168.09337 31175.0 |
2737 175.03131 41390.0 | 2737 175.03131 41390.0 |
2738 178.04208 93247.0 | 2738 178.04208 93247.0 |
2739 | 2739 |
2740 COMPOUND_NAME: Oxadixyl | |
2740 SCANNUMBER: 3029 | 2741 SCANNUMBER: 3029 |
2741 IONMODE: positive | 2742 IONMODE: positive |
2742 SPECTRUMTYPE: Centroid | 2743 SPECTRUMTYPE: Centroid |
2743 FORMULA: C14H18N2O4 | 2744 FORMULA: C14H18N2O4 |
2744 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N | 2745 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N |
2745 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O | 2746 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O |
2746 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2747 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2747 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2748 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2748 IONIZATION: ESI+ | 2749 IONIZATION: ESI+ |
2749 LICENSE: CC BY-NC | 2750 LICENSE: CC BY-NC |
2750 COMPOUND_NAME: Oxadixyl | |
2751 RETENTION_TIME: 4.402048 | 2751 RETENTION_TIME: 4.402048 |
2752 PRECURSOR_MZ: 279.1344 | 2752 PRECURSOR_MZ: 279.1344 |
2753 ADDUCT: [M+H]+ | 2753 ADDUCT: [M+H]+ |
2754 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2754 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2755 NUM PEAKS: 7 | 2755 NUM PEAKS: 7 |
2756 102.05517 448694.0 | 2756 102.05517 448694.0 |
2757 132.08089 139055.0 | 2757 132.08089 139055.0 |
2758 133.08878 111093.0 | 2758 133.08878 111093.0 |
2759 160.07613 49235.0 | 2759 160.07613 49235.0 |
2760 192.10234 94587.0 | 2760 192.10234 94587.0 |
2761 219.11325 4470994.0 | 2761 219.11325 4470994.0 |
2762 279.13367 216370.0 | 2762 279.13367 216370.0 |
2763 | 2763 |
2764 COMPOUND_NAME: Prochloraz | |
2764 SCANNUMBER: 7968 | 2765 SCANNUMBER: 7968 |
2765 IONMODE: positive | 2766 IONMODE: positive |
2766 SPECTRUMTYPE: Centroid | 2767 SPECTRUMTYPE: Centroid |
2767 FORMULA: C15H16N3O2Cl3 | 2768 FORMULA: C15H16N3O2Cl3 |
2768 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N | 2769 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N |
2769 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl | 2770 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl |
2770 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2771 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2771 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2772 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2772 IONIZATION: ESI+ | 2773 IONIZATION: ESI+ |
2773 LICENSE: CC BY-NC | 2774 LICENSE: CC BY-NC |
2774 COMPOUND_NAME: Prochloraz | |
2775 RETENTION_TIME: 7.089308 | 2775 RETENTION_TIME: 7.089308 |
2776 PRECURSOR_MZ: 376.0388 | 2776 PRECURSOR_MZ: 376.0388 |
2777 ADDUCT: [M+H]+ | 2777 ADDUCT: [M+H]+ |
2778 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2778 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2779 NUM PEAKS: 3 | 2779 NUM PEAKS: 3 |
2780 265.95453 2776909.0 | 2780 265.95453 2776909.0 |
2781 308.00125 53942956.0 | 2781 308.00125 53942956.0 |
2782 376.03964 3704219.0 | 2782 376.03964 3704219.0 |
2783 | 2783 |
2784 COMPOUND_NAME: Prometon_1 | |
2784 SCANNUMBER: 2214 | 2785 SCANNUMBER: 2214 |
2785 IONMODE: positive | 2786 IONMODE: positive |
2786 SPECTRUMTYPE: Centroid | 2787 SPECTRUMTYPE: Centroid |
2787 FORMULA: C10H19N5O | 2788 FORMULA: C10H19N5O |
2788 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N | 2789 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N |
2789 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 | 2790 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 |
2790 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2791 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2791 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2792 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2792 IONIZATION: ESI+ | 2793 IONIZATION: ESI+ |
2793 LICENSE: CC BY-NC | 2794 LICENSE: CC BY-NC |
2794 COMPOUND_NAME: Prometon_1 | |
2795 RETENTION_TIME: 3.185351 | 2795 RETENTION_TIME: 3.185351 |
2796 PRECURSOR_MZ: 226.1667 | 2796 PRECURSOR_MZ: 226.1667 |
2797 ADDUCT: [M+H]+ | 2797 ADDUCT: [M+H]+ |
2798 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2798 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2799 NUM PEAKS: 16 | 2799 NUM PEAKS: 16 |
2800 85.05116 254026.0 | 2800 85.05116 254026.0 |
2801 85.07622 1248785.0 | 2801 85.07622 1248785.0 |
2802 86.03511 7693232.0 | 2802 86.03511 7693232.0 |
2803 96.05572 2045746.0 | 2803 96.05572 2045746.0 |
2804 97.03974 2776563.0 | 2804 97.03974 2776563.0 |
2805 99.06665 1175450.0 | 2805 99.06665 1175450.0 |
2806 100.05066 9824308.0 | 2806 100.05066 9824308.0 |
2807 110.04619 496522.0 | 2807 110.04619 496522.0 |
2808 110.0716 223643.0 | 2808 110.0716 223643.0 |
2809 114.06643 4195590.0 | 2809 114.06643 4195590.0 |
2810 128.08185 3094754.0 | 2810 128.08185 3094754.0 |
2811 138.07761 783556.0 | 2811 138.07761 783556.0 |
2812 142.07253 19868644.0 | 2812 142.07253 19868644.0 |
2813 168.0881 278497.0 | 2813 168.0881 278497.0 |
2814 170.10394 12296676.0 | 2814 170.10394 12296676.0 |
2815 184.11964 1858746.0 | 2815 184.11964 1858746.0 |
2816 | 2816 |
2817 COMPOUND_NAME: Prometon_2 | |
2817 SCANNUMBER: 2376 | 2818 SCANNUMBER: 2376 |
2818 IONMODE: positive | 2819 IONMODE: positive |
2819 SPECTRUMTYPE: Centroid | 2820 SPECTRUMTYPE: Centroid |
2820 FORMULA: C10H19N5O | 2821 FORMULA: C10H19N5O |
2821 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N | 2822 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N |
2822 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 | 2823 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 |
2823 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2824 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2824 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2825 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2825 IONIZATION: ESI+ | 2826 IONIZATION: ESI+ |
2826 LICENSE: CC BY-NC | 2827 LICENSE: CC BY-NC |
2827 COMPOUND_NAME: Prometon_2 | |
2828 RETENTION_TIME: 3.288845 | 2828 RETENTION_TIME: 3.288845 |
2829 PRECURSOR_MZ: 226.1663 | 2829 PRECURSOR_MZ: 226.1663 |
2830 ADDUCT: [M+H]+ | 2830 ADDUCT: [M+H]+ |
2831 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2831 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2832 NUM PEAKS: 22 | 2832 NUM PEAKS: 22 |
2833 85.05116 203704.0 | 2833 85.05116 203704.0 |
2834 85.07622 1795800.0 | 2834 85.07622 1795800.0 |
2835 86.03511 4360152.0 | 2835 86.03511 4360152.0 |
2836 96.05572 3992152.0 | 2836 96.05572 3992152.0 |
2837 97.03974 3296917.0 | 2837 97.03974 3296917.0 |
2838 99.06665 489124.0 | 2838 99.06665 489124.0 |
2839 100.05066 11922340.0 | 2839 100.05066 11922340.0 |
2840 110.04619 311190.0 | 2840 110.04619 311190.0 |
2841 110.0716 143123.0 | 2841 110.0716 143123.0 |
2842 113.0825 152844.0 | 2842 113.0825 152844.0 |
2843 114.06643 5615716.0 | 2843 114.06643 5615716.0 |
2844 125.0461 170765.0 | 2844 125.0461 170765.0 |
2845 127.09787 169642.0 | 2845 127.09787 169642.0 |
2846 128.08185 4145137.0 | 2846 128.08185 4145137.0 |
2847 129.0112 167032.0 | 2847 129.0112 167032.0 |
2848 138.07761 953215.0 | 2848 138.07761 953215.0 |
2849 142.07253 8482599.0 | 2849 142.07253 8482599.0 |
2850 153.07755 208846.0 | 2850 153.07755 208846.0 |
2851 168.0881 343548.0 | 2851 168.0881 343548.0 |
2852 170.10394 12923365.0 | 2852 170.10394 12923365.0 |
2853 184.11964 137608.0 | 2853 184.11964 137608.0 |
2854 226.16615 243943.0 | 2854 226.16615 243943.0 |
2855 | 2855 |
2856 COMPOUND_NAME: Pymetrozine | |
2856 SCANNUMBER: 1328 | 2857 SCANNUMBER: 1328 |
2857 IONMODE: positive | 2858 IONMODE: positive |
2858 SPECTRUMTYPE: Centroid | 2859 SPECTRUMTYPE: Centroid |
2859 FORMULA: C10H11N5O | 2860 FORMULA: C10H11N5O |
2860 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N | 2861 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N |
2861 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O | 2862 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O |
2862 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2863 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2863 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2864 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2864 IONIZATION: ESI+ | 2865 IONIZATION: ESI+ |
2865 LICENSE: CC BY-NC | 2866 LICENSE: CC BY-NC |
2866 COMPOUND_NAME: Pymetrozine | |
2867 RETENTION_TIME: 1.373368 | 2867 RETENTION_TIME: 1.373368 |
2868 PRECURSOR_MZ: 218.1044 | 2868 PRECURSOR_MZ: 218.1044 |
2869 ADDUCT: [M+H]+ | 2869 ADDUCT: [M+H]+ |
2870 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2870 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2871 NUM PEAKS: 2 | 2871 NUM PEAKS: 2 |
2872 96.04461 383408.0 | 2872 96.04461 383408.0 |
2873 105.04506 15166273.0 | 2873 105.04506 15166273.0 |
2874 | 2874 |
2875 COMPOUND_NAME: Pyracarbolid | |
2875 SCANNUMBER: 3243 | 2876 SCANNUMBER: 3243 |
2876 IONMODE: positive | 2877 IONMODE: positive |
2877 SPECTRUMTYPE: Centroid | 2878 SPECTRUMTYPE: Centroid |
2878 FORMULA: C13H15NO2 | 2879 FORMULA: C13H15NO2 |
2879 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N | 2880 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N |
2880 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1 | 2881 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1 |
2881 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2882 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2882 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2883 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2883 IONIZATION: ESI+ | 2884 IONIZATION: ESI+ |
2884 LICENSE: CC BY-NC | 2885 LICENSE: CC BY-NC |
2885 COMPOUND_NAME: Pyracarbolid | |
2886 RETENTION_TIME: 4.72542 | 2886 RETENTION_TIME: 4.72542 |
2887 PRECURSOR_MZ: 218.1182 | 2887 PRECURSOR_MZ: 218.1182 |
2888 ADDUCT: [M+H]+ | 2888 ADDUCT: [M+H]+ |
2889 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2889 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2890 NUM PEAKS: 8 | 2890 NUM PEAKS: 8 |
2891 92.04956 222486.0 | 2891 92.04956 222486.0 |
2892 95.04928 559755.0 | 2892 95.04928 559755.0 |
2893 97.02871 2882447.0 | 2893 97.02871 2882447.0 |
2894 97.06489 514552.0 | 2894 97.06489 514552.0 |
2895 105.04477 279492.0 | 2895 105.04477 279492.0 |
2896 107.04936 2653095.0 | 2896 107.04936 2653095.0 |
2897 115.03907 949155.0 | 2897 115.03907 949155.0 |
2898 125.05998 14590636.0 | 2898 125.05998 14590636.0 |
2899 | 2899 |
2900 COMPOUND_NAME: Pyrimethanil | |
2900 SCANNUMBER: 3684 | 2901 SCANNUMBER: 3684 |
2901 IONMODE: positive | 2902 IONMODE: positive |
2902 SPECTRUMTYPE: Centroid | 2903 SPECTRUMTYPE: Centroid |
2903 FORMULA: C12H13N3 | 2904 FORMULA: C12H13N3 |
2904 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N | 2905 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N |
2905 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1 | 2906 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1 |
2906 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2907 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2907 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2908 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2908 IONIZATION: ESI+ | 2909 IONIZATION: ESI+ |
2909 LICENSE: CC BY-NC | 2910 LICENSE: CC BY-NC |
2910 COMPOUND_NAME: Pyrimethanil | |
2911 RETENTION_TIME: 5.598423 | 2911 RETENTION_TIME: 5.598423 |
2912 PRECURSOR_MZ: 200.1186 | 2912 PRECURSOR_MZ: 200.1186 |
2913 ADDUCT: [M+H]+ | 2913 ADDUCT: [M+H]+ |
2914 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2914 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2915 NUM PEAKS: 43 | 2915 NUM PEAKS: 43 |
2916 91.05441 269141.0 | 2916 91.05441 269141.0 |
2917 92.0498 1006183.0 | 2917 92.0498 1006183.0 |
2918 93.0575 798806.0 | 2918 93.0575 798806.0 |
2919 95.04928 864623.0 | 2919 95.04928 864623.0 |
2920 105.04505 538940.0 | 2920 105.04505 538940.0 |
2921 107.06065 6806452.0 | 2921 107.06065 6806452.0 |
2922 115.05464 651194.0 | 2922 115.05464 651194.0 |
2923 116.0497 189558.0 | 2923 116.0497 189558.0 |
2924 117.0574 297627.0 | 2924 117.0574 297627.0 |
2925 118.05279 470418.0 | 2925 118.05279 470418.0 |
2926 118.06519 941436.0 | 2926 118.06519 941436.0 |
2927 119.06059 1862863.0 | 2927 119.06059 1862863.0 |
2928 125.07124 2658422.0 | 2928 125.07124 2658422.0 |
2929 129.07021 373721.0 | 2929 129.07021 373721.0 |
2930 131.06062 510426.0 | 2930 131.06062 510426.0 |
2931 132.08089 163131.0 | 2931 132.08089 163131.0 |
2932 139.05466 180641.0 | 2932 139.05466 180641.0 |
2933 140.0497 332716.0 | 2933 140.0497 332716.0 |
2934 141.05769 348146.0 | 2934 141.05769 348146.0 |
2935 142.06525 1271766.0 | 2935 142.06525 1271766.0 |
2936 143.06068 2584610.0 | 2936 143.06068 2584610.0 |
2937 143.07307 643411.0 | 2937 143.07307 643411.0 |
2938 154.06532 150404.0 | 2938 154.06532 150404.0 |
2939 155.06065 150810.0 | 2939 155.06065 150810.0 |
2940 156.06825 358067.0 | 2940 156.06825 358067.0 |
2941 156.08081 843618.0 | 2941 156.08081 843618.0 |
2942 158.08434 235445.0 | 2942 158.08434 235445.0 |
2943 158.0966 250403.0 | 2943 158.0966 250403.0 |
2944 159.09198 1057014.0 | 2944 159.09198 1057014.0 |
2945 166.06538 692025.0 | 2945 166.06538 692025.0 |
2946 167.07332 885398.0 | 2946 167.07332 885398.0 |
2947 168.06824 6869380.0 | 2947 168.06824 6869380.0 |
2948 173.10771 334158.0 | 2948 173.10771 334158.0 |
2949 173.50755 193551.0 | 2949 173.50755 193551.0 |
2950 181.07629 2021052.0 | 2950 181.07629 2021052.0 |
2951 182.08163 471666.0 | 2951 182.08163 471666.0 |
2952 182.08427 7602030.0 | 2952 182.08427 7602030.0 |
2953 183.09206 8147444.0 | 2953 183.09206 8147444.0 |
2954 184.08679 232595.0 | 2954 184.08679 232595.0 |
2955 185.09505 609372.0 | 2955 185.09505 609372.0 |
2956 198.10313 499158.0 | 2956 198.10313 499158.0 |
2957 199.11044 154902.0 | 2957 199.11044 154902.0 |
2958 200.11862 13352280.0 | 2958 200.11862 13352280.0 |
2959 | 2959 |
2960 COMPOUND_NAME: Pyriproxyfen | |
2960 SCANNUMBER: 10159 | 2961 SCANNUMBER: 10159 |
2961 IONMODE: positive | 2962 IONMODE: positive |
2962 SPECTRUMTYPE: Centroid | 2963 SPECTRUMTYPE: Centroid |
2963 FORMULA: C20H19NO3 | 2964 FORMULA: C20H19NO3 |
2964 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N | 2965 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N |
2965 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1 | 2966 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1 |
2966 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 2967 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
2967 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 2968 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
2968 IONIZATION: ESI+ | 2969 IONIZATION: ESI+ |
2969 LICENSE: CC BY-NC | 2970 LICENSE: CC BY-NC |
2970 COMPOUND_NAME: Pyriproxyfen | |
2971 RETENTION_TIME: 7.483148 | 2971 RETENTION_TIME: 7.483148 |
2972 PRECURSOR_MZ: 322.1441 | 2972 PRECURSOR_MZ: 322.1441 |
2973 ADDUCT: [M+H]+ | 2973 ADDUCT: [M+H]+ |
2974 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 2974 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
2975 NUM PEAKS: 21 | 2975 NUM PEAKS: 21 |
2976 91.05465 1995486.0 | 2976 91.05465 1995486.0 |
2977 95.04953 2794273.0 | 2977 95.04953 2794273.0 |
2978 96.04461 57722984.0 | 2978 96.04461 57722984.0 |
2979 105.04505 1487815.0 | 2979 105.04505 1487815.0 |
2980 105.0702 2138528.0 | 2980 105.0702 2138528.0 |
2981 115.05464 2166874.0 | 2981 115.05464 2166874.0 |
2982 119.04944 13154060.0 | 2982 119.04944 13154060.0 |
2983 128.06239 2789226.0 | 2983 128.06239 2789226.0 |
2984 129.07021 18069414.0 | 2984 129.07021 18069414.0 |
2985 133.06531 2250340.0 | 2985 133.06531 2250340.0 |
2986 134.07285 5007071.0 | 2986 134.07285 5007071.0 |
2987 141.07028 4802710.0 | 2987 141.07028 4802710.0 |
2988 153.07043 578116.0 | 2988 153.07043 578116.0 |
2989 155.06065 601649.0 | 2989 155.06065 601649.0 |
2990 157.06509 3489445.0 | 2990 157.06509 3489445.0 |
2991 170.07298 834102.0 | 2991 170.07298 834102.0 |
2992 181.06517 682957.0 | 2992 181.06517 682957.0 |
2993 185.05991 13867037.0 | 2993 185.05991 13867037.0 |
2994 186.06801 602621.0 | 2994 186.06801 602621.0 |
2995 194.07315 653455.0 | 2995 194.07315 653455.0 |
2996 199.07576 804230.0 | 2996 199.07576 804230.0 |
2997 | 2997 |
2998 COMPOUND_NAME: Mepronil | |
2998 SCANNUMBER: 5448 | 2999 SCANNUMBER: 5448 |
2999 IONMODE: positive | 3000 IONMODE: positive |
3000 SPECTRUMTYPE: Centroid | 3001 SPECTRUMTYPE: Centroid |
3001 FORMULA: C17H19NO2 | 3002 FORMULA: C17H19NO2 |
3002 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N | 3003 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N |
3003 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C | 3004 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C |
3004 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3005 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3005 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3006 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3006 IONIZATION: ESI+ | 3007 IONIZATION: ESI+ |
3007 LICENSE: CC BY-NC | 3008 LICENSE: CC BY-NC |
3008 COMPOUND_NAME: Mepronil | |
3009 RETENTION_TIME: 6.63015 | 3009 RETENTION_TIME: 6.63015 |
3010 PRECURSOR_MZ: 270.1492 | 3010 PRECURSOR_MZ: 270.1492 |
3011 ADDUCT: [M+H]+ | 3011 ADDUCT: [M+H]+ |
3012 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3012 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3013 NUM PEAKS: 8 | 3013 NUM PEAKS: 8 |
3014 91.05465 4818532.0 | 3014 91.05465 4818532.0 |
3015 107.04936 268915.0 | 3015 107.04936 268915.0 |
3016 108.0449 232011.0 | 3016 108.0449 232011.0 |
3017 109.0651 1528311.0 | 3017 109.0651 1528311.0 |
3018 111.04436 177960.0 | 3018 111.04436 177960.0 |
3019 119.04979 16405699.0 | 3019 119.04979 16405699.0 |
3020 119.0592 353581.0 | 3020 119.0592 353581.0 |
3021 136.03949 166339.0 | 3021 136.03949 166339.0 |
3022 | 3022 |
3023 COMPOUND_NAME: Spiroxamine_2 | |
3023 SCANNUMBER: 3190 | 3024 SCANNUMBER: 3190 |
3024 IONMODE: positive | 3025 IONMODE: positive |
3025 SPECTRUMTYPE: Centroid | 3026 SPECTRUMTYPE: Centroid |
3026 FORMULA: C18H35NO2 | 3027 FORMULA: C18H35NO2 |
3027 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N | 3028 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N |
3028 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC | 3029 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC |
3029 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3030 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3030 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3031 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3031 IONIZATION: ESI+ | 3032 IONIZATION: ESI+ |
3032 LICENSE: CC BY-NC | 3033 LICENSE: CC BY-NC |
3033 COMPOUND_NAME: Spiroxamine_2 | |
3034 RETENTION_TIME: 4.628222 | 3034 RETENTION_TIME: 4.628222 |
3035 PRECURSOR_MZ: 298.2747 | 3035 PRECURSOR_MZ: 298.2747 |
3036 ADDUCT: [M+H]+ | 3036 ADDUCT: [M+H]+ |
3037 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3037 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3038 NUM PEAKS: 4 | 3038 NUM PEAKS: 4 |
3039 100.11219 10585697.0 | 3039 100.11219 10585697.0 |
3040 102.09142 415934.0 | 3040 102.09142 415934.0 |
3041 126.12786 286929.0 | 3041 126.12786 286929.0 |
3042 144.13857 10367585.0 | 3042 144.13857 10367585.0 |
3043 | 3043 |
3044 COMPOUND_NAME: Tebufenpyrad | |
3044 SCANNUMBER: 8797 | 3045 SCANNUMBER: 8797 |
3045 IONMODE: positive | 3046 IONMODE: positive |
3046 SPECTRUMTYPE: Centroid | 3047 SPECTRUMTYPE: Centroid |
3047 FORMULA: C18H24N3OCl | 3048 FORMULA: C18H24N3OCl |
3048 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N | 3049 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N |
3049 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C | 3050 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C |
3050 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3051 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3051 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3052 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3052 IONIZATION: ESI+ | 3053 IONIZATION: ESI+ |
3053 LICENSE: CC BY-NC | 3054 LICENSE: CC BY-NC |
3054 COMPOUND_NAME: Tebufenpyrad | |
3055 RETENTION_TIME: 7.223254 | 3055 RETENTION_TIME: 7.223254 |
3056 PRECURSOR_MZ: 334.1692 | 3056 PRECURSOR_MZ: 334.1692 |
3057 ADDUCT: [M+H]+ | 3057 ADDUCT: [M+H]+ |
3058 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3058 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3059 NUM PEAKS: 17 | 3059 NUM PEAKS: 17 |
3060 90.01088 682936.0 | 3060 90.01088 682936.0 |
3061 91.05441 694638.0 | 3061 91.05441 694638.0 |
3062 105.0702 2926113.0 | 3062 105.0702 2926113.0 |
3063 107.08593 482744.0 | 3063 107.08593 482744.0 |
3064 117.02172 17275010.0 | 3064 117.02172 17275010.0 |
3065 117.06997 1213127.0 | 3065 117.06997 1213127.0 |
3066 119.0857 4335492.0 | 3066 119.0857 4335492.0 |
3067 130.02946 271510.0 | 3067 130.02946 271510.0 |
3068 131.08559 179894.0 | 3068 131.08559 179894.0 |
3069 132.09351 4494128.0 | 3069 132.09351 4494128.0 |
3070 145.05318 15327344.0 | 3070 145.05318 15327344.0 |
3071 145.10149 224176.0 | 3071 145.10149 224176.0 |
3072 147.11679 8812113.0 | 3072 147.11679 8812113.0 |
3073 171.03239 1499108.0 | 3073 171.03239 1499108.0 |
3074 188.05853 456215.0 | 3074 188.05853 456215.0 |
3075 200.05861 396435.0 | 3075 200.05861 396435.0 |
3076 334.16821 933979.0 | 3076 334.16821 933979.0 |
3077 | 3077 |
3078 COMPOUND_NAME: Terbumeton_1 | |
3078 SCANNUMBER: 2214 | 3079 SCANNUMBER: 2214 |
3079 IONMODE: positive | 3080 IONMODE: positive |
3080 SPECTRUMTYPE: Centroid | 3081 SPECTRUMTYPE: Centroid |
3081 FORMULA: C10H19N5O | 3082 FORMULA: C10H19N5O |
3082 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N | 3083 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N |
3083 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C | 3084 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C |
3084 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3085 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3085 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3086 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3086 IONIZATION: ESI+ | 3087 IONIZATION: ESI+ |
3087 LICENSE: CC BY-NC | 3088 LICENSE: CC BY-NC |
3088 COMPOUND_NAME: Terbumeton_1 | |
3089 RETENTION_TIME: 3.185351 | 3089 RETENTION_TIME: 3.185351 |
3090 PRECURSOR_MZ: 226.1667 | 3090 PRECURSOR_MZ: 226.1667 |
3091 ADDUCT: [M+H]+ | 3091 ADDUCT: [M+H]+ |
3092 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3092 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3093 NUM PEAKS: 16 | 3093 NUM PEAKS: 16 |
3094 85.05116 254026.0 | 3094 85.05116 254026.0 |
3095 85.07622 1248785.0 | 3095 85.07622 1248785.0 |
3096 86.03511 7693232.0 | 3096 86.03511 7693232.0 |
3097 96.05572 2045746.0 | 3097 96.05572 2045746.0 |
3098 97.03974 2776563.0 | 3098 97.03974 2776563.0 |
3099 99.06665 1175450.0 | 3099 99.06665 1175450.0 |
3100 100.05066 9824308.0 | 3100 100.05066 9824308.0 |
3101 110.04619 496522.0 | 3101 110.04619 496522.0 |
3102 110.0716 223643.0 | 3102 110.0716 223643.0 |
3103 114.06643 4195590.0 | 3103 114.06643 4195590.0 |
3104 128.08185 3094754.0 | 3104 128.08185 3094754.0 |
3105 138.07761 783556.0 | 3105 138.07761 783556.0 |
3106 142.07253 19868644.0 | 3106 142.07253 19868644.0 |
3107 168.0881 278497.0 | 3107 168.0881 278497.0 |
3108 170.10394 12296676.0 | 3108 170.10394 12296676.0 |
3109 184.11964 1858746.0 | 3109 184.11964 1858746.0 |
3110 | 3110 |
3111 COMPOUND_NAME: Terbumeton_2 | |
3111 SCANNUMBER: 2376 | 3112 SCANNUMBER: 2376 |
3112 IONMODE: positive | 3113 IONMODE: positive |
3113 SPECTRUMTYPE: Centroid | 3114 SPECTRUMTYPE: Centroid |
3114 FORMULA: C10H19N5O | 3115 FORMULA: C10H19N5O |
3115 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N | 3116 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N |
3116 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C | 3117 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C |
3117 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3118 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3118 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3119 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3119 IONIZATION: ESI+ | 3120 IONIZATION: ESI+ |
3120 LICENSE: CC BY-NC | 3121 LICENSE: CC BY-NC |
3121 COMPOUND_NAME: Terbumeton_2 | |
3122 RETENTION_TIME: 3.288845 | 3122 RETENTION_TIME: 3.288845 |
3123 PRECURSOR_MZ: 226.1663 | 3123 PRECURSOR_MZ: 226.1663 |
3124 ADDUCT: [M+H]+ | 3124 ADDUCT: [M+H]+ |
3125 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3125 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3126 NUM PEAKS: 22 | 3126 NUM PEAKS: 22 |
3127 85.05116 203704.0 | 3127 85.05116 203704.0 |
3128 85.07622 1795800.0 | 3128 85.07622 1795800.0 |
3129 86.03511 4360152.0 | 3129 86.03511 4360152.0 |
3130 96.05572 3992152.0 | 3130 96.05572 3992152.0 |
3131 97.03974 3296917.0 | 3131 97.03974 3296917.0 |
3132 99.06665 489124.0 | 3132 99.06665 489124.0 |
3133 100.05066 11922340.0 | 3133 100.05066 11922340.0 |
3134 110.04619 311190.0 | 3134 110.04619 311190.0 |
3135 110.0716 143123.0 | 3135 110.0716 143123.0 |
3136 113.0825 152844.0 | 3136 113.0825 152844.0 |
3137 114.06643 5615716.0 | 3137 114.06643 5615716.0 |
3138 125.0461 170765.0 | 3138 125.0461 170765.0 |
3139 127.09787 169642.0 | 3139 127.09787 169642.0 |
3140 128.08185 4145137.0 | 3140 128.08185 4145137.0 |
3141 129.0112 167032.0 | 3141 129.0112 167032.0 |
3142 138.07761 953215.0 | 3142 138.07761 953215.0 |
3143 142.07253 8482599.0 | 3143 142.07253 8482599.0 |
3144 153.07755 208846.0 | 3144 153.07755 208846.0 |
3145 168.0881 343548.0 | 3145 168.0881 343548.0 |
3146 170.10394 12923365.0 | 3146 170.10394 12923365.0 |
3147 184.11964 137608.0 | 3147 184.11964 137608.0 |
3148 226.16615 243943.0 | 3148 226.16615 243943.0 |
3149 | 3149 |
3150 COMPOUND_NAME: Triadimefon | |
3150 SCANNUMBER: 4753 | 3151 SCANNUMBER: 4753 |
3151 IONMODE: positive | 3152 IONMODE: positive |
3152 SPECTRUMTYPE: Centroid | 3153 SPECTRUMTYPE: Centroid |
3153 FORMULA: C14H16N3O2Cl | 3154 FORMULA: C14H16N3O2Cl |
3154 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N | 3155 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N |
3155 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl | 3156 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl |
3156 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3157 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3157 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3158 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3158 IONIZATION: ESI+ | 3159 IONIZATION: ESI+ |
3159 LICENSE: CC BY-NC | 3160 LICENSE: CC BY-NC |
3160 COMPOUND_NAME: Triadimefon | |
3161 RETENTION_TIME: 6.495691 | 3161 RETENTION_TIME: 6.495691 |
3162 PRECURSOR_MZ: 294.101 | 3162 PRECURSOR_MZ: 294.101 |
3163 ADDUCT: [M+H]+ | 3163 ADDUCT: [M+H]+ |
3164 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3164 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3165 NUM PEAKS: 34 | 3165 NUM PEAKS: 34 |
3166 91.05441 220380.0 | 3166 91.05441 220380.0 |
3167 93.03366 110759.0 | 3167 93.03366 110759.0 |
3168 94.04145 226678.0 | 3168 94.04145 226678.0 |
3169 95.04928 293143.0 | 3169 95.04928 293143.0 |
3170 98.99973 2161492.0 | 3170 98.99973 2161492.0 |
3171 103.03109 47635.0 | 3171 103.03109 47635.0 |
3172 105.04505 158971.0 | 3172 105.04505 158971.0 |
3173 107.04936 77343.0 | 3173 107.04936 77343.0 |
3174 109.0651 56624.0 | 3174 109.0651 56624.0 |
3175 110.03504 91263.0 | 3175 110.03504 91263.0 |
3176 110.99978 78358.0 | 3176 110.99978 78358.0 |
3177 111.04436 239293.0 | 3177 111.04436 239293.0 |
3178 113.0154 1133437.0 | 3178 113.0154 1133437.0 |
3179 119.04944 129126.0 | 3179 119.04944 129126.0 |
3180 119.06059 60561.0 | 3180 119.06059 60561.0 |
3181 120.05734 170448.0 | 3181 120.05734 170448.0 |
3182 121.03985 123630.0 | 3182 121.03985 123630.0 |
3183 125.01533 88037.0 | 3183 125.01533 88037.0 |
3184 126.99488 4331208.0 | 3184 126.99488 4331208.0 |
3185 127.03099 234800.0 | 3185 127.03099 234800.0 |
3186 129.01041 2984985.0 | 3186 129.01041 2984985.0 |
3187 133.10155 53571.0 | 3187 133.10155 53571.0 |
3188 137.01562 52817.0 | 3188 137.01562 52817.0 |
3189 139.00583 1903109.0 | 3189 139.00583 1903109.0 |
3190 141.0105 4051184.0 | 3190 141.0105 4051184.0 |
3191 146.07265 75724.0 | 3191 146.07265 75724.0 |
3192 147.08089 154110.0 | 3192 147.08089 154110.0 |
3193 155.02592 1609516.0 | 3193 155.02592 1609516.0 |
3194 159.02092 270169.0 | 3194 159.02092 270169.0 |
3195 161.09631 105167.0 | 3195 161.09631 105167.0 |
3196 173.50877 58953.0 | 3196 173.50877 58953.0 |
3197 175.07544 124355.0 | 3197 175.07544 124355.0 |
3198 190.09877 46793.0 | 3198 190.09877 46793.0 |
3199 197.073 124633.0 | 3199 197.073 124633.0 |
3200 | 3200 |
3201 COMPOUND_NAME: Trifloxystrobin | |
3201 SCANNUMBER: 8085 | 3202 SCANNUMBER: 8085 |
3202 IONMODE: positive | 3203 IONMODE: positive |
3203 SPECTRUMTYPE: Centroid | 3204 SPECTRUMTYPE: Centroid |
3204 FORMULA: C20H19N2O4F3 | 3205 FORMULA: C20H19N2O4F3 |
3205 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N | 3206 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N |
3206 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC | 3207 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC |
3207 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3208 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3208 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3209 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3209 IONIZATION: ESI+ | 3210 IONIZATION: ESI+ |
3210 LICENSE: CC BY-NC | 3211 LICENSE: CC BY-NC |
3211 COMPOUND_NAME: Trifloxystrobin | |
3212 RETENTION_TIME: 7.117416 | 3212 RETENTION_TIME: 7.117416 |
3213 PRECURSOR_MZ: 409.1378 | 3213 PRECURSOR_MZ: 409.1378 |
3214 ADDUCT: [M+H]+ | 3214 ADDUCT: [M+H]+ |
3215 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3215 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3216 NUM PEAKS: 20 | 3216 NUM PEAKS: 20 |
3217 89.03905 311273.0 | 3217 89.03905 311273.0 |
3218 91.05465 552137.0 | 3218 91.05465 552137.0 |
3219 105.07049 281496.0 | 3219 105.07049 281496.0 |
3220 116.05004 3644672.0 | 3220 116.05004 3644672.0 |
3221 117.05774 1059431.0 | 3221 117.05774 1059431.0 |
3222 118.06553 996646.0 | 3222 118.06553 996646.0 |
3223 119.04944 261371.0 | 3223 119.04944 261371.0 |
3224 130.06567 752094.0 | 3224 130.06567 752094.0 |
3225 131.07352 3968814.0 | 3225 131.07352 3968814.0 |
3226 132.04504 549533.0 | 3226 132.04504 549533.0 |
3227 132.08128 1313192.0 | 3227 132.08128 1313192.0 |
3228 134.06033 476020.0 | 3228 134.06033 476020.0 |
3229 145.02644 9201794.0 | 3229 145.02644 9201794.0 |
3230 146.06033 1786913.0 | 3230 146.06033 1786913.0 |
3231 147.06844 435652.0 | 3231 147.06844 435652.0 |
3232 161.0475 625467.0 | 3232 161.0475 625467.0 |
3233 163.03706 449951.0 | 3233 163.03706 449951.0 |
3234 173.03255 3885334.0 | 3234 173.03255 3885334.0 |
3235 186.05302 16153518.0 | 3235 186.05302 16153518.0 |
3236 206.08214 362046.0 | 3236 206.08214 362046.0 |
3237 | 3237 |
3238 COMPOUND_NAME: Zoxamide | |
3238 SCANNUMBER: 7511 | 3239 SCANNUMBER: 7511 |
3239 IONMODE: positive | 3240 IONMODE: positive |
3240 SPECTRUMTYPE: Centroid | 3241 SPECTRUMTYPE: Centroid |
3241 FORMULA: C14H16Cl3NO2 | 3242 FORMULA: C14H16Cl3NO2 |
3242 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N | 3243 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N |
3243 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C | 3244 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C |
3244 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3245 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3245 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3246 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3246 IONIZATION: ESI+ | 3247 IONIZATION: ESI+ |
3247 LICENSE: CC BY-NC | 3248 LICENSE: CC BY-NC |
3248 COMPOUND_NAME: Zoxamide | |
3249 RETENTION_TIME: 7.042906 | 3249 RETENTION_TIME: 7.042906 |
3250 PRECURSOR_MZ: 336.0327 | 3250 PRECURSOR_MZ: 336.0327 |
3251 ADDUCT: [M+H]+ | 3251 ADDUCT: [M+H]+ |
3252 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3252 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3253 NUM PEAKS: 7 | 3253 NUM PEAKS: 7 |
3254 122.99966 189624.0 | 3254 122.99966 189624.0 |
3255 158.97681 2350836.0 | 3255 158.97681 2350836.0 |
3256 160.99211 84080.0 | 3256 160.99211 84080.0 |
3257 176.98717 132424.0 | 3257 176.98717 132424.0 |
3258 186.97179 7551578.0 | 3258 186.97179 7551578.0 |
3259 186.98138 1310863.0 | 3259 186.98138 1310863.0 |
3260 203.99802 105210.0 | 3260 203.99802 105210.0 |
3261 | 3261 |
3262 COMPOUND_NAME: Quinoxyfen | |
3262 SCANNUMBER: 10658 | 3263 SCANNUMBER: 10658 |
3263 IONMODE: positive | 3264 IONMODE: positive |
3264 SPECTRUMTYPE: Centroid | 3265 SPECTRUMTYPE: Centroid |
3265 FORMULA: C15H8NOCl2F | 3266 FORMULA: C15H8NOCl2F |
3266 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N | 3267 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N |
3267 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl | 3268 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl |
3268 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3269 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3269 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3270 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3270 IONIZATION: ESI+ | 3271 IONIZATION: ESI+ |
3271 LICENSE: CC BY-NC | 3272 LICENSE: CC BY-NC |
3272 COMPOUND_NAME: Quinoxyfen | |
3273 RETENTION_TIME: 7.693292 | 3273 RETENTION_TIME: 7.693292 |
3274 PRECURSOR_MZ: 308.0046 | 3274 PRECURSOR_MZ: 308.0046 |
3275 ADDUCT: [M+H]+ | 3275 ADDUCT: [M+H]+ |
3276 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3276 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3277 NUM PEAKS: 28 | 3277 NUM PEAKS: 28 |
3278 113.04024 951160.0 | 3278 113.04024 951160.0 |
3279 123.00003 519051.0 | 3279 123.00003 519051.0 |
3280 123.03591 2234640.0 | 3280 123.03591 2234640.0 |
3281 133.05254 505534.0 | 3281 133.05254 505534.0 |
3282 150.01109 1173838.0 | 3282 150.01109 1173838.0 |
3283 162.01112 4388227.0 | 3283 162.01112 4388227.0 |
3284 168.02145 1536952.0 | 3284 168.02145 1536952.0 |
3285 178.01723 957090.0 | 3285 178.01723 957090.0 |
3286 183.97221 586345.0 | 3286 183.97221 586345.0 |
3287 184.97952 1042789.0 | 3287 184.97952 1042789.0 |
3288 196.98022 34758736.0 | 3288 196.98022 34758736.0 |
3289 209.06372 991608.0 | 3289 209.06372 991608.0 |
3290 210.0717 743797.0 | 3290 210.0717 743797.0 |
3291 212.97452 543051.0 | 3291 212.97452 543051.0 |
3292 213.98238 16892596.0 | 3292 213.98238 16892596.0 |
3293 217.02182 350576.0 | 3293 217.02182 350576.0 |
3294 219.02536 368183.0 | 3294 219.02536 368183.0 |
3295 225.03487 908834.0 | 3295 225.03487 908834.0 |
3296 237.05934 2476225.0 | 3296 237.05934 2476225.0 |
3297 238.06659 390133.0 | 3297 238.06659 390133.0 |
3298 244.03317 3467599.0 | 3298 244.03317 3467599.0 |
3299 245.04095 5069296.0 | 3299 245.04095 5069296.0 |
3300 253.02917 653474.0 | 3300 253.02917 653474.0 |
3301 254.03786 417640.0 | 3301 254.03786 417640.0 |
3302 272.02798 14312807.0 | 3302 272.02798 14312807.0 |
3303 280.00934 1380984.0 | 3303 280.00934 1380984.0 |
3304 287.99789 1053238.0 | 3304 287.99789 1053238.0 |
3305 308.00415 16622164.0 | 3305 308.00415 16622164.0 |
3306 | 3306 |
3307 COMPOUND_NAME: Rotenone | |
3307 SCANNUMBER: 10564 | 3308 SCANNUMBER: 10564 |
3308 IONMODE: positive | 3309 IONMODE: positive |
3309 SPECTRUMTYPE: Centroid | 3310 SPECTRUMTYPE: Centroid |
3310 FORMULA: C23H22O6 | 3311 FORMULA: C23H22O6 |
3311 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N | 3312 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N |
3312 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C | 3313 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C |
3313 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3314 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3314 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3315 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3315 IONIZATION: ESI+ | 3316 IONIZATION: ESI+ |
3316 LICENSE: CC BY-NC | 3317 LICENSE: CC BY-NC |
3317 COMPOUND_NAME: Rotenone | |
3318 RETENTION_TIME: 7.674882 | 3318 RETENTION_TIME: 7.674882 |
3319 PRECURSOR_MZ: 395.1498 | 3319 PRECURSOR_MZ: 395.1498 |
3320 ADDUCT: [M+H]+ | 3320 ADDUCT: [M+H]+ |
3321 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3321 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3322 NUM PEAKS: 118 | 3322 NUM PEAKS: 118 |
3323 91.05441 20240.0 | 3323 91.05441 20240.0 |
3324 94.04169 8976.0 | 3324 94.04169 8976.0 |
3325 95.04953 15733.0 | 3325 95.04953 15733.0 |
3326 96.05724 5644.0 | 3326 96.05724 5644.0 |
3327 103.05439 9409.0 | 3327 103.05439 9409.0 |
3328 105.04505 12948.0 | 3328 105.04505 12948.0 |
3329 105.0702 18947.0 | 3329 105.0702 18947.0 |
3330 107.04936 14407.0 | 3330 107.04936 14407.0 |
3331 108.05726 28276.0 | 3331 108.05726 28276.0 |
3332 109.0651 27746.0 | 3332 109.0651 27746.0 |
3333 115.05464 7748.0 | 3333 115.05464 7748.0 |
3334 118.04178 6690.0 | 3334 118.04178 6690.0 |
3335 119.04944 11358.0 | 3335 119.04944 11358.0 |
3336 119.0857 16350.0 | 3336 119.0857 16350.0 |
3337 121.06523 31422.0 | 3337 121.06523 31422.0 |
3338 122.03665 11422.0 | 3338 122.03665 11422.0 |
3339 123.04434 5563.0 | 3339 123.04434 5563.0 |
3340 124.05232 66924.0 | 3340 124.05232 66924.0 |
3341 125.05998 10770.0 | 3341 125.05998 10770.0 |
3342 128.06239 12472.0 | 3342 128.06239 12472.0 |
3343 129.07021 21798.0 | 3343 129.07021 21798.0 |
3344 131.04935 9618.0 | 3344 131.04935 9618.0 |
3345 132.05725 6374.0 | 3345 132.05725 6374.0 |
3346 133.02864 9569.0 | 3346 133.02864 9569.0 |
3347 133.06488 59218.0 | 3347 133.06488 59218.0 |
3348 135.04427 48791.0 | 3348 135.04427 48791.0 |
3349 135.08092 12734.0 | 3349 135.08092 12734.0 |
3350 136.05228 31669.0 | 3350 136.05228 31669.0 |
3351 137.05997 22461.0 | 3351 137.05997 22461.0 |
3352 139.07579 190263.0 | 3352 139.07579 190263.0 |
3353 141.07028 6275.0 | 3353 141.07028 6275.0 |
3354 142.07797 14608.0 | 3354 142.07797 14608.0 |
3355 143.08594 13615.0 | 3355 143.08594 13615.0 |
3356 144.05733 5067.0 | 3356 144.05733 5067.0 |
3357 145.0649 8486.0 | 3357 145.0649 8486.0 |
3358 147.04451 61525.0 | 3358 147.04451 61525.0 |
3359 147.08089 94625.0 | 3359 147.08089 94625.0 |
3360 148.0522 39063.0 | 3360 148.0522 39063.0 |
3361 149.02341 19610.0 | 3361 149.02341 19610.0 |
3362 149.06003 21143.0 | 3362 149.06003 21143.0 |
3363 150.06783 16274.0 | 3363 150.06783 16274.0 |
3364 151.03905 10391.0 | 3364 151.03905 10391.0 |
3365 151.07541 203001.0 | 3365 151.07541 203001.0 |
3366 152.04688 7942.0 | 3366 152.04688 7942.0 |
3367 152.06248 13044.0 | 3367 152.06248 13044.0 |
3368 153.05467 9160.0 | 3368 153.05467 9160.0 |
3369 155.0705 50109.0 | 3369 155.0705 50109.0 |
3370 155.08604 5247.0 | 3370 155.08604 5247.0 |
3371 157.06509 11481.0 | 3371 157.06509 11481.0 |
3372 157.10156 7250.0 | 3372 157.10156 7250.0 |
3373 159.0446 58047.0 | 3373 159.0446 58047.0 |
3374 160.05222 12860.0 | 3374 160.05222 12860.0 |
3375 161.02338 80194.0 | 3375 161.02338 80194.0 |
3376 161.0601 108267.0 | 3376 161.0601 108267.0 |
3377 161.09631 10911.0 | 3377 161.09631 10911.0 |
3378 162.0676 99660.0 | 3378 162.0676 99660.0 |
3379 163.03929 24087.0 | 3379 163.03929 24087.0 |
3380 163.07561 12092.0 | 3380 163.07561 12092.0 |
3381 164.04738 8000.0 | 3381 164.04738 8000.0 |
3382 165.05518 11042.0 | 3382 165.05518 11042.0 |
3383 165.06599 31937.0 | 3383 165.06599 31937.0 |
3384 165.09103 67666.0 | 3384 165.09103 67666.0 |
3385 167.03391 16070.0 | 3385 167.03391 16070.0 |
3386 167.07042 68033.0 | 3386 167.07042 68033.0 |
3387 167.08607 14650.0 | 3387 167.08607 14650.0 |
3388 169.06497 20549.0 | 3388 169.06497 20549.0 |
3389 170.07298 47466.0 | 3389 170.07298 47466.0 |
3390 171.0444 8000.0 | 3390 171.0444 8000.0 |
3391 171.08104 35499.0 | 3391 171.08104 35499.0 |
3392 173.06004 17137.0 | 3392 173.06004 17137.0 |
3393 174.06767 6932.0 | 3393 174.06767 6932.0 |
3394 175.03938 17059.0 | 3394 175.03938 17059.0 |
3395 175.07544 21766.0 | 3395 175.07544 21766.0 |
3396 176.04684 21189.0 | 3396 176.04684 21189.0 |
3397 177.05479 232262.0 | 3397 177.05479 232262.0 |
3398 178.05867 5911.0 | 3398 178.05867 5911.0 |
3399 178.0625 25475.0 | 3399 178.0625 25475.0 |
3400 179.07047 162479.0 | 3400 179.07047 162479.0 |
3401 181.04948 12121.0 | 3401 181.04948 12121.0 |
3402 183.08076 4979.0 | 3402 183.08076 4979.0 |
3403 185.05991 48654.0 | 3403 185.05991 48654.0 |
3404 185.09641 26209.0 | 3404 185.09641 26209.0 |
3405 187.03905 10827.0 | 3405 187.03905 10827.0 |
3406 188.04747 5292.0 | 3406 188.04747 5292.0 |
3407 189.05499 13091.0 | 3407 189.05499 13091.0 |
3408 189.09126 53174.0 | 3408 189.09126 53174.0 |
3409 191.07039 460509.0 | 3409 191.07039 460509.0 |
3410 192.07661 134602.0 | 3410 192.07661 134602.0 |
3411 192.07805 420800.0 | 3411 192.07805 420800.0 |
3412 193.04977 5384.0 | 3412 193.04977 5384.0 |
3413 193.0865 52606.0 | 3413 193.0865 52606.0 |
3414 195.08057 343831.0 | 3414 195.08057 343831.0 |
3415 197.05963 10859.0 | 3415 197.05963 10859.0 |
3416 198.06796 244073.0 | 3416 198.06796 244073.0 |
3417 199.07576 11375.0 | 3417 199.07576 11375.0 |
3418 201.09085 5454.0 | 3418 201.09085 5454.0 |
3419 203.07065 271508.0 | 3419 203.07065 271508.0 |
3420 205.0499 11121.0 | 3420 205.0499 11121.0 |
3421 211.07547 11767.0 | 3421 211.07547 11767.0 |
3422 213.05545 8031.0 | 3422 213.05545 8031.0 |
3423 213.09134 496635.0 | 3423 213.09134 496635.0 |
3424 219.06538 18652.0 | 3424 219.06538 18652.0 |
3425 220.07301 15899.0 | 3425 220.07301 15899.0 |
3426 223.07542 20667.0 | 3426 223.07542 20667.0 |
3427 226.06303 9493.0 | 3427 226.06303 9493.0 |
3428 229.08595 8069.0 | 3428 229.08595 8069.0 |
3429 241.08595 34858.0 | 3429 241.08595 34858.0 |
3430 309.07611 9652.0 | 3430 309.07611 9652.0 |
3431 319.09708 7916.0 | 3431 319.09708 7916.0 |
3432 321.11215 19786.0 | 3432 321.11215 19786.0 |
3433 331.09756 10399.0 | 3433 331.09756 10399.0 |
3434 333.11328 6140.0 | 3434 333.11328 6140.0 |
3435 334.08463 6723.0 | 3435 334.08463 6723.0 |
3436 335.12769 6532.0 | 3436 335.12769 6532.0 |
3437 337.1073 11225.0 | 3437 337.1073 11225.0 |
3438 347.091 7782.0 | 3438 347.091 7782.0 |
3439 349.10764 9303.0 | 3439 349.10764 9303.0 |
3440 377.13797 5836.0 | 3440 377.13797 5836.0 |
3441 | 3441 |
3442 COMPOUND_NAME: Secbumeton_1 | |
3442 SCANNUMBER: 2214 | 3443 SCANNUMBER: 2214 |
3443 IONMODE: positive | 3444 IONMODE: positive |
3444 SPECTRUMTYPE: Centroid | 3445 SPECTRUMTYPE: Centroid |
3445 FORMULA: C10H19N5O | 3446 FORMULA: C10H19N5O |
3446 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N | 3447 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N |
3447 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 | 3448 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 |
3448 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3449 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3449 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3450 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3450 IONIZATION: ESI+ | 3451 IONIZATION: ESI+ |
3451 LICENSE: CC BY-NC | 3452 LICENSE: CC BY-NC |
3452 COMPOUND_NAME: Secbumeton_1 | |
3453 RETENTION_TIME: 3.185351 | 3453 RETENTION_TIME: 3.185351 |
3454 PRECURSOR_MZ: 226.1667 | 3454 PRECURSOR_MZ: 226.1667 |
3455 ADDUCT: [M+H]+ | 3455 ADDUCT: [M+H]+ |
3456 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3456 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3457 NUM PEAKS: 16 | 3457 NUM PEAKS: 16 |
3458 85.05116 254026.0 | 3458 85.05116 254026.0 |
3459 85.07622 1248785.0 | 3459 85.07622 1248785.0 |
3460 86.03511 7693232.0 | 3460 86.03511 7693232.0 |
3461 96.05572 2045746.0 | 3461 96.05572 2045746.0 |
3462 97.03974 2776563.0 | 3462 97.03974 2776563.0 |
3463 99.06665 1175450.0 | 3463 99.06665 1175450.0 |
3464 100.05066 9824308.0 | 3464 100.05066 9824308.0 |
3465 110.04619 496522.0 | 3465 110.04619 496522.0 |
3466 110.0716 223643.0 | 3466 110.0716 223643.0 |
3467 114.06643 4195590.0 | 3467 114.06643 4195590.0 |
3468 128.08185 3094754.0 | 3468 128.08185 3094754.0 |
3469 138.07761 783556.0 | 3469 138.07761 783556.0 |
3470 142.07253 19868644.0 | 3470 142.07253 19868644.0 |
3471 168.0881 278497.0 | 3471 168.0881 278497.0 |
3472 170.10394 12296676.0 | 3472 170.10394 12296676.0 |
3473 184.11964 1858746.0 | 3473 184.11964 1858746.0 |
3474 | 3474 |
3475 COMPOUND_NAME: Secbumeton_2 | |
3475 SCANNUMBER: 2376 | 3476 SCANNUMBER: 2376 |
3476 IONMODE: positive | 3477 IONMODE: positive |
3477 SPECTRUMTYPE: Centroid | 3478 SPECTRUMTYPE: Centroid |
3478 FORMULA: C10H19N5O | 3479 FORMULA: C10H19N5O |
3479 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N | 3480 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N |
3480 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 | 3481 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 |
3481 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3482 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3482 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3483 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3483 IONIZATION: ESI+ | 3484 IONIZATION: ESI+ |
3484 LICENSE: CC BY-NC | 3485 LICENSE: CC BY-NC |
3485 COMPOUND_NAME: Secbumeton_2 | |
3486 RETENTION_TIME: 3.288845 | 3486 RETENTION_TIME: 3.288845 |
3487 PRECURSOR_MZ: 226.1663 | 3487 PRECURSOR_MZ: 226.1663 |
3488 ADDUCT: [M+H]+ | 3488 ADDUCT: [M+H]+ |
3489 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3489 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3490 NUM PEAKS: 22 | 3490 NUM PEAKS: 22 |
3491 85.05116 203704.0 | 3491 85.05116 203704.0 |
3492 85.07622 1795800.0 | 3492 85.07622 1795800.0 |
3493 86.03511 4360152.0 | 3493 86.03511 4360152.0 |
3494 96.05572 3992152.0 | 3494 96.05572 3992152.0 |
3495 97.03974 3296917.0 | 3495 97.03974 3296917.0 |
3496 99.06665 489124.0 | 3496 99.06665 489124.0 |
3497 100.05066 11922340.0 | 3497 100.05066 11922340.0 |
3498 110.04619 311190.0 | 3498 110.04619 311190.0 |
3499 110.0716 143123.0 | 3499 110.0716 143123.0 |
3500 113.0825 152844.0 | 3500 113.0825 152844.0 |
3501 114.06643 5615716.0 | 3501 114.06643 5615716.0 |
3502 125.0461 170765.0 | 3502 125.0461 170765.0 |
3503 127.09787 169642.0 | 3503 127.09787 169642.0 |
3504 128.08185 4145137.0 | 3504 128.08185 4145137.0 |
3505 129.0112 167032.0 | 3505 129.0112 167032.0 |
3506 138.07761 953215.0 | 3506 138.07761 953215.0 |
3507 142.07253 8482599.0 | 3507 142.07253 8482599.0 |
3508 153.07755 208846.0 | 3508 153.07755 208846.0 |
3509 168.0881 343548.0 | 3509 168.0881 343548.0 |
3510 170.10394 12923365.0 | 3510 170.10394 12923365.0 |
3511 184.11964 137608.0 | 3511 184.11964 137608.0 |
3512 226.16615 243943.0 | 3512 226.16615 243943.0 |
3513 | 3513 |
3514 COMPOUND_NAME: Spiroxamine_1 | |
3514 SCANNUMBER: 3100 | 3515 SCANNUMBER: 3100 |
3515 IONMODE: positive | 3516 IONMODE: positive |
3516 SPECTRUMTYPE: Centroid | 3517 SPECTRUMTYPE: Centroid |
3517 FORMULA: C18H35NO2 | 3518 FORMULA: C18H35NO2 |
3518 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N | 3519 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N |
3519 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC | 3520 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC |
3520 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3521 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3521 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3522 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3522 IONIZATION: ESI+ | 3523 IONIZATION: ESI+ |
3523 LICENSE: CC BY-NC | 3524 LICENSE: CC BY-NC |
3524 COMPOUND_NAME: Spiroxamine_1 | |
3525 RETENTION_TIME: 4.508498 | 3525 RETENTION_TIME: 4.508498 |
3526 PRECURSOR_MZ: 298.2746 | 3526 PRECURSOR_MZ: 298.2746 |
3527 ADDUCT: [M+H]+ | 3527 ADDUCT: [M+H]+ |
3528 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3528 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3529 NUM PEAKS: 4 | 3529 NUM PEAKS: 4 |
3530 100.11219 3396827.0 | 3530 100.11219 3396827.0 |
3531 102.09142 137060.0 | 3531 102.09142 137060.0 |
3532 126.12786 85740.0 | 3532 126.12786 85740.0 |
3533 144.13857 3215019.0 | 3533 144.13857 3215019.0 |
3534 | 3534 |
3535 COMPOUND_NAME: Acibenzolar-S-methyl | |
3535 SCANNUMBER: 6504 | 3536 SCANNUMBER: 6504 |
3536 IONMODE: positive | 3537 IONMODE: positive |
3537 SPECTRUMTYPE: Centroid | 3538 SPECTRUMTYPE: Centroid |
3538 FORMULA: C8H6N2OS2 | 3539 FORMULA: C8H6N2OS2 |
3539 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N | 3540 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N |
3540 SMILES: CSC(=O)c1cccc2c1snn2 | 3541 SMILES: CSC(=O)c1cccc2c1snn2 |
3541 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3542 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3542 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3543 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3543 IONIZATION: ESI+ | 3544 IONIZATION: ESI+ |
3544 LICENSE: CC BY-NC | 3545 LICENSE: CC BY-NC |
3545 COMPOUND_NAME: Acibenzolar-S-methyl | |
3546 RETENTION_TIME: 7.209623 | 3546 RETENTION_TIME: 7.209623 |
3547 PRECURSOR_MZ: 210.9997 | 3547 PRECURSOR_MZ: 210.9997 |
3548 ADDUCT: [M+H]+ | 3548 ADDUCT: [M+H]+ |
3549 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3549 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3550 NUM PEAKS: 19 | 3550 NUM PEAKS: 19 |
3551 90.96726 85952.0 | 3551 90.96726 85952.0 |
3552 91.05441 657143.0 | 3552 91.05441 657143.0 |
3553 95.04928 118440.0 | 3553 95.04928 118440.0 |
3554 96.00319 401311.0 | 3554 96.00319 401311.0 |
3555 104.02592 176500.0 | 3555 104.02592 176500.0 |
3556 105.04505 89136.0 | 3556 105.04505 89136.0 |
3557 106.99528 418903.0 | 3557 106.99528 418903.0 |
3558 108.00302 780675.0 | 3558 108.00302 780675.0 |
3559 109.0107 470651.0 | 3559 109.0107 470651.0 |
3560 111.02646 108320.0 | 3560 111.02646 108320.0 |
3561 121.01091 958564.0 | 3561 121.01091 958564.0 |
3562 122.01855 285730.0 | 3562 122.01855 285730.0 |
3563 134.99037 663158.0 | 3563 134.99037 663158.0 |
3564 135.99904 120240.0 | 3564 135.99904 120240.0 |
3565 136.00926 5947453.0 | 3565 136.00926 5947453.0 |
3566 139.97499 2000969.0 | 3566 139.97499 2000969.0 |
3567 152.98305 216362.0 | 3567 152.98305 216362.0 |
3568 167.97003 464522.0 | 3568 167.97003 464522.0 |
3569 210.99977 327401.0 | 3569 210.99977 327401.0 |
3570 | 3570 |
3571 COMPOUND_NAME: Bupirimate | |
3571 SCANNUMBER: 3267 | 3572 SCANNUMBER: 3267 |
3572 IONMODE: positive | 3573 IONMODE: positive |
3573 SPECTRUMTYPE: Centroid | 3574 SPECTRUMTYPE: Centroid |
3574 FORMULA: C13H24N4O3S | 3575 FORMULA: C13H24N4O3S |
3575 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N | 3576 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N |
3576 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C | 3577 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C |
3577 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3578 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3578 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3579 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3579 IONIZATION: ESI+ | 3580 IONIZATION: ESI+ |
3580 LICENSE: CC BY-NC | 3581 LICENSE: CC BY-NC |
3581 COMPOUND_NAME: Bupirimate | |
3582 RETENTION_TIME: 6.076324 | 3582 RETENTION_TIME: 6.076324 |
3583 PRECURSOR_MZ: 317.1649 | 3583 PRECURSOR_MZ: 317.1649 |
3584 ADDUCT: [M+H]+ | 3584 ADDUCT: [M+H]+ |
3585 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3585 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3586 NUM PEAKS: 55 | 3586 NUM PEAKS: 55 |
3587 86.07153 235598.0 | 3587 86.07153 235598.0 |
3588 93.07003 108137.0 | 3588 93.07003 108137.0 |
3589 95.06072 255743.0 | 3589 95.06072 255743.0 |
3590 95.08585 244503.0 | 3590 95.08585 244503.0 |
3591 96.04461 1438629.0 | 3591 96.04461 1438629.0 |
3592 96.08099 127976.0 | 3592 96.08099 127976.0 |
3593 97.03999 368735.0 | 3593 97.03999 368735.0 |
3594 98.06032 1406789.0 | 3594 98.06032 1406789.0 |
3595 107.07314 137145.0 | 3595 107.07314 137145.0 |
3596 108.01175 7604676.0 | 3596 108.01175 7604676.0 |
3597 109.0761 227922.0 | 3597 109.0761 227922.0 |
3598 110.06014 169356.0 | 3598 110.06014 169356.0 |
3599 110.0716 162792.0 | 3599 110.0716 162792.0 |
3600 110.09671 354193.0 | 3600 110.09671 354193.0 |
3601 120.081 147452.0 | 3601 120.081 147452.0 |
3602 122.07138 411681.0 | 3602 122.07138 411681.0 |
3603 122.09673 123475.0 | 3603 122.09673 123475.0 |
3604 123.05569 195728.0 | 3604 123.05569 195728.0 |
3605 123.09197 115035.0 | 3605 123.09197 115035.0 |
3606 124.06344 181991.0 | 3606 124.06344 181991.0 |
3607 136.0872 149699.0 | 3607 136.0872 149699.0 |
3608 137.05867 120788.0 | 3608 137.05867 120788.0 |
3609 137.09485 160672.0 | 3609 137.09485 160672.0 |
3610 138.06628 1098460.0 | 3610 138.06628 1098460.0 |
3611 138.09154 233604.0 | 3611 138.09154 233604.0 |
3612 138.10286 398553.0 | 3612 138.10286 398553.0 |
3613 139.07446 1057776.0 | 3613 139.07446 1057776.0 |
3614 139.12334 148466.0 | 3614 139.12334 148466.0 |
3615 140.10709 5071826.0 | 3615 140.10709 5071826.0 |
3616 148.08701 244501.0 | 3616 148.08701 244501.0 |
3617 150.10286 2737236.0 | 3617 150.10286 2737236.0 |
3618 151.07442 131788.0 | 3618 151.07442 131788.0 |
3619 151.11079 210989.0 | 3619 151.11079 210989.0 |
3620 151.12326 149447.0 | 3620 151.12326 149447.0 |
3621 152.08211 600122.0 | 3621 152.08211 600122.0 |
3622 164.08234 442472.0 | 3622 164.08234 442472.0 |
3623 165.08989 1444691.0 | 3623 165.08989 1444691.0 |
3624 165.10242 2298446.0 | 3624 165.10242 2298446.0 |
3625 166.09755 10809536.0 | 3625 166.09755 10809536.0 |
3626 167.10577 1006139.0 | 3626 167.10577 1006139.0 |
3627 179.12965 335810.0 | 3627 179.12965 335810.0 |
3628 180.11362 538952.0 | 3628 180.11362 538952.0 |
3629 180.14995 435438.0 | 3629 180.14995 435438.0 |
3630 182.12912 1149384.0 | 3630 182.12912 1149384.0 |
3631 191.11787 124435.0 | 3631 191.11787 124435.0 |
3632 192.14951 246681.0 | 3632 192.14951 246681.0 |
3633 193.13402 1395706.0 | 3633 193.13402 1395706.0 |
3634 194.12903 1925937.0 | 3634 194.12903 1925937.0 |
3635 208.14435 1874942.0 | 3635 208.14435 1874942.0 |
3636 209.17653 127377.0 | 3636 209.17653 127377.0 |
3637 210.15997 6891096.0 | 3637 210.15997 6891096.0 |
3638 224.17574 413548.0 | 3638 224.17574 413548.0 |
3639 237.20732 1204267.0 | 3639 237.20732 1204267.0 |
3640 262.08615 349666.0 | 3640 262.08615 349666.0 |
3641 272.10626 143082.0 | 3641 272.10626 143082.0 |
3642 | 3642 |
3643 COMPOUND_NAME: Buprofezin | |
3643 SCANNUMBER: 5627 | 3644 SCANNUMBER: 5627 |
3644 IONMODE: positive | 3645 IONMODE: positive |
3645 SPECTRUMTYPE: Centroid | 3646 SPECTRUMTYPE: Centroid |
3646 FORMULA: C16H23N3OS | 3647 FORMULA: C16H23N3OS |
3647 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N | 3648 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N |
3648 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C | 3649 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C |
3649 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3650 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3650 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3651 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3651 IONIZATION: ESI+ | 3652 IONIZATION: ESI+ |
3652 LICENSE: CC BY-NC | 3653 LICENSE: CC BY-NC |
3653 COMPOUND_NAME: Buprofezin | |
3654 RETENTION_TIME: 7.028851 | 3654 RETENTION_TIME: 7.028851 |
3655 PRECURSOR_MZ: 306.1638 | 3655 PRECURSOR_MZ: 306.1638 |
3656 ADDUCT: [M+H]+ | 3656 ADDUCT: [M+H]+ |
3657 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3657 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3658 NUM PEAKS: 7 | 3658 NUM PEAKS: 7 |
3659 86.06017 3955916.0 | 3659 86.06017 3955916.0 |
3660 95.04928 722739.0 | 3660 95.04928 722739.0 |
3661 102.03746 765607.0 | 3661 102.03746 765607.0 |
3662 102.99629 1020337.0 | 3662 102.99629 1020337.0 |
3663 106.06516 49438552.0 | 3663 106.06516 49438552.0 |
3664 145.04333 786651.0 | 3664 145.04333 786651.0 |
3665 208.05412 1036458.0 | 3665 208.05412 1036458.0 |
3666 | 3666 |
3667 COMPOUND_NAME: Carboxin | |
3667 SCANNUMBER: 2650 | 3668 SCANNUMBER: 2650 |
3668 IONMODE: positive | 3669 IONMODE: positive |
3669 SPECTRUMTYPE: Centroid | 3670 SPECTRUMTYPE: Centroid |
3670 FORMULA: C12H13NO2S | 3671 FORMULA: C12H13NO2S |
3671 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N | 3672 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N |
3672 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1 | 3673 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1 |
3673 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3674 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3674 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3675 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3675 IONIZATION: ESI+ | 3676 IONIZATION: ESI+ |
3676 LICENSE: CC BY-NC | 3677 LICENSE: CC BY-NC |
3677 COMPOUND_NAME: Carboxin | |
3678 RETENTION_TIME: 5.514598 | 3678 RETENTION_TIME: 5.514598 |
3679 PRECURSOR_MZ: 236.0745 | 3679 PRECURSOR_MZ: 236.0745 |
3680 ADDUCT: [M+H]+ | 3680 ADDUCT: [M+H]+ |
3681 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3681 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3682 NUM PEAKS: 21 | 3682 NUM PEAKS: 21 |
3683 86.99005 83162.0 | 3683 86.99005 83162.0 |
3684 89.00569 35962.0 | 3684 89.00569 35962.0 |
3685 92.0498 113299.0 | 3685 92.0498 113299.0 |
3686 93.0575 2928372.0 | 3686 93.0575 2928372.0 |
3687 94.06519 52720.0 | 3687 94.06519 52720.0 |
3688 95.04928 67153.0 | 3688 95.04928 67153.0 |
3689 99.02643 59993.0 | 3689 99.02643 59993.0 |
3690 104.04956 151593.0 | 3690 104.04956 151593.0 |
3691 105.04476 45581.0 | 3691 105.04476 45581.0 |
3692 115.02152 31967.0 | 3692 115.02152 31967.0 |
3693 120.04463 57401.0 | 3693 120.04463 57401.0 |
3694 124.02155 960327.0 | 3694 124.02155 960327.0 |
3695 128.04956 63924.0 | 3695 128.04956 63924.0 |
3696 132.04463 580531.0 | 3696 132.04463 580531.0 |
3697 138.03711 35055.0 | 3697 138.03711 35055.0 |
3698 143.01614 2499380.0 | 3698 143.01614 2499380.0 |
3699 146.06033 163428.0 | 3699 146.06033 163428.0 |
3700 148.02174 69210.0 | 3700 148.02174 69210.0 |
3701 162.03714 126130.0 | 3701 162.03714 126130.0 |
3702 165.02444 140508.0 | 3702 165.02444 140508.0 |
3703 166.03207 97516.0 | 3703 166.03207 97516.0 |
3704 | 3704 |
3705 COMPOUND_NAME: Clethodim_1 | |
3705 SCANNUMBER: 4128 | 3706 SCANNUMBER: 4128 |
3706 IONMODE: positive | 3707 IONMODE: positive |
3707 SPECTRUMTYPE: Centroid | 3708 SPECTRUMTYPE: Centroid |
3708 FORMULA: C17H26NO3ClS | 3709 FORMULA: C17H26NO3ClS |
3709 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N | 3710 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N |
3710 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C | 3711 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C |
3711 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3712 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3712 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3713 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3713 IONIZATION: ESI+ | 3714 IONIZATION: ESI+ |
3714 LICENSE: CC BY-NC | 3715 LICENSE: CC BY-NC |
3715 COMPOUND_NAME: Clethodim_1 | |
3716 RETENTION_TIME: 6.687163 | 3716 RETENTION_TIME: 6.687163 |
3717 PRECURSOR_MZ: 360.1401 | 3717 PRECURSOR_MZ: 360.1401 |
3718 ADDUCT: [M+H]+ | 3718 ADDUCT: [M+H]+ |
3719 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3719 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3720 NUM PEAKS: 93 | 3720 NUM PEAKS: 93 |
3721 89.0422 26517.0 | 3721 89.0422 26517.0 |
3722 91.05441 49957.0 | 3722 91.05441 49957.0 |
3723 92.04956 6055.0 | 3723 92.04956 6055.0 |
3724 93.0575 11783.0 | 3724 93.0575 11783.0 |
3725 93.07003 33788.0 | 3725 93.07003 33788.0 |
3726 94.06519 21009.0 | 3726 94.06519 21009.0 |
3727 95.04928 65958.0 | 3727 95.04928 65958.0 |
3728 95.0856 11343.0 | 3728 95.0856 11343.0 |
3729 96.04461 77264.0 | 3729 96.04461 77264.0 |
3730 98.06032 83926.0 | 3730 98.06032 83926.0 |
3731 103.05439 27407.0 | 3731 103.05439 27407.0 |
3732 105.04505 6981.0 | 3732 105.04505 6981.0 |
3733 105.07019 30263.0 | 3733 105.07019 30263.0 |
3734 106.06516 86354.0 | 3734 106.06516 86354.0 |
3735 107.04936 34964.0 | 3735 107.04936 34964.0 |
3736 107.08563 8621.0 | 3736 107.08563 8621.0 |
3737 108.0446 28107.0 | 3737 108.0446 28107.0 |
3738 108.08108 167346.0 | 3738 108.08108 167346.0 |
3739 109.0651 32723.0 | 3739 109.0651 32723.0 |
3740 110.06014 31720.0 | 3740 110.06014 31720.0 |
3741 110.09671 12453.0 | 3741 110.09671 12453.0 |
3742 111.04435 12775.0 | 3742 111.04435 12775.0 |
3743 111.06791 6651.0 | 3743 111.06791 6651.0 |
3744 114.05498 7671.0 | 3744 114.05498 7671.0 |
3745 114.0916 11353.0 | 3745 114.0916 11353.0 |
3746 115.0543 6778.0 | 3746 115.0543 6778.0 |
3747 117.05739 8001.0 | 3747 117.05739 8001.0 |
3748 117.06997 20495.0 | 3748 117.06997 20495.0 |
3749 118.06519 20951.0 | 3749 118.06519 20951.0 |
3750 119.04944 18911.0 | 3750 119.04944 18911.0 |
3751 119.06059 9053.0 | 3751 119.06059 9053.0 |
3752 119.0857 23128.0 | 3752 119.0857 23128.0 |
3753 120.04463 7579.0 | 3753 120.04463 7579.0 |
3754 120.081 8457.0 | 3754 120.081 8457.0 |
3755 121.06487 56724.0 | 3755 121.06487 56724.0 |
3756 122.06016 65198.0 | 3756 122.06016 65198.0 |
3757 122.09673 13384.0 | 3757 122.09673 13384.0 |
3758 123.04433 7289.0 | 3758 123.04433 7289.0 |
3759 124.03934 5264.0 | 3759 124.03934 5264.0 |
3760 124.07605 20748.0 | 3760 124.07605 20748.0 |
3761 127.02138 23658.0 | 3761 127.02138 23658.0 |
3762 128.06201 5671.0 | 3762 128.06201 5671.0 |
3763 129.07021 5839.0 | 3763 129.07021 5839.0 |
3764 131.0731 6698.0 | 3764 131.0731 6698.0 |
3765 131.08559 5362.0 | 3765 131.08559 5362.0 |
3766 132.08089 18560.0 | 3766 132.08089 18560.0 |
3767 133.06488 10377.0 | 3767 133.06488 10377.0 |
3768 133.10155 8105.0 | 3768 133.10155 8105.0 |
3769 134.06033 147188.0 | 3769 134.06033 147188.0 |
3770 134.09659 13221.0 | 3770 134.09659 13221.0 |
3771 135.08049 8346.0 | 3771 135.08049 8346.0 |
3772 136.03949 70010.0 | 3772 136.03949 70010.0 |
3773 136.07568 371565.0 | 3773 136.07568 371565.0 |
3774 136.11234 9112.0 | 3774 136.11234 9112.0 |
3775 137.05997 23108.0 | 3775 137.05997 23108.0 |
3776 138.05496 9422.0 | 3776 138.05496 9422.0 |
3777 138.09154 20890.0 | 3777 138.09154 20890.0 |
3778 144.08099 5145.0 | 3778 144.08099 5145.0 |
3779 145.0649 6292.0 | 3779 145.0649 6292.0 |
3780 146.06033 26112.0 | 3780 146.06033 26112.0 |
3781 146.09634 7672.0 | 3781 146.09634 7672.0 |
3782 147.04402 77322.0 | 3782 147.04402 77322.0 |
3783 147.08089 12959.0 | 3783 147.08089 12959.0 |
3784 148.0759 20412.0 | 3784 148.0759 20412.0 |
3785 149.04733 5916.0 | 3785 149.04733 5916.0 |
3786 149.06003 102646.0 | 3786 149.06003 102646.0 |
3787 150.05499 6525.0 | 3787 150.05499 6525.0 |
3788 150.09151 15556.0 | 3788 150.09151 15556.0 |
3789 150.12804 6161.0 | 3789 150.12804 6161.0 |
3790 152.07053 18217.0 | 3790 152.07053 18217.0 |
3791 158.04488 6800.0 | 3791 158.04488 6800.0 |
3792 160.07613 16467.0 | 3792 160.07613 16467.0 |
3793 160.11201 5212.0 | 3793 160.11201 5212.0 |
3794 161.0601 8950.0 | 3794 161.0601 8950.0 |
3795 161.09631 9597.0 | 3795 161.09631 9597.0 |
3796 162.0554 6952.0 | 3796 162.0554 6952.0 |
3797 162.0914 19731.0 | 3797 162.0914 19731.0 |
3798 163.06274 15231.0 | 3798 163.06274 15231.0 |
3799 164.07106 350022.0 | 3799 164.07106 350022.0 |
3800 164.10716 16374.0 | 3800 164.10716 16374.0 |
3801 166.08664 512799.0 | 3801 166.08664 512799.0 |
3802 166.12283 13211.0 | 3802 166.12283 13211.0 |
3803 167.09418 26398.0 | 3803 167.09418 26398.0 |
3804 173.50754 5344.0 | 3804 173.50754 5344.0 |
3805 178.08673 16500.0 | 3805 178.08673 16500.0 |
3806 178.12309 12987.0 | 3806 178.12309 12987.0 |
3807 180.08443 5978.0 | 3807 180.08443 5978.0 |
3808 180.10194 6844.0 | 3808 180.10194 6844.0 |
3809 190.1227 6425.0 | 3809 190.1227 6425.0 |
3810 192.10233 16067.0 | 3810 192.10233 16067.0 |
3811 206.11787 6696.0 | 3811 206.11787 6696.0 |
3812 212.11047 16431.0 | 3812 212.11047 16431.0 |
3813 240.10542 8682.0 | 3813 240.10542 8682.0 |
3814 | 3814 |
3815 COMPOUND_NAME: Clethodim_2 | |
3815 SCANNUMBER: 7016 | 3816 SCANNUMBER: 7016 |
3816 IONMODE: positive | 3817 IONMODE: positive |
3817 SPECTRUMTYPE: Centroid | 3818 SPECTRUMTYPE: Centroid |
3818 FORMULA: C17H26NO3ClS | 3819 FORMULA: C17H26NO3ClS |
3819 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N | 3820 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N |
3820 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C | 3821 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C |
3821 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3822 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3822 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3823 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3823 IONIZATION: ESI+ | 3824 IONIZATION: ESI+ |
3824 LICENSE: CC BY-NC | 3825 LICENSE: CC BY-NC |
3825 COMPOUND_NAME: Clethodim_2 | |
3826 RETENTION_TIME: 7.277172 | 3826 RETENTION_TIME: 7.277172 |
3827 PRECURSOR_MZ: 360.1401 | 3827 PRECURSOR_MZ: 360.1401 |
3828 ADDUCT: [M+H]+ | 3828 ADDUCT: [M+H]+ |
3829 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3829 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3830 NUM PEAKS: 68 | 3830 NUM PEAKS: 68 |
3831 89.0422 98238.0 | 3831 89.0422 98238.0 |
3832 91.05464 171745.0 | 3832 91.05464 171745.0 |
3833 93.05774 38046.0 | 3833 93.05774 38046.0 |
3834 93.07027 136004.0 | 3834 93.07027 136004.0 |
3835 94.06543 101832.0 | 3835 94.06543 101832.0 |
3836 95.04953 227900.0 | 3836 95.04953 227900.0 |
3837 95.08585 40869.0 | 3837 95.08585 40869.0 |
3838 96.04461 221541.0 | 3838 96.04461 221541.0 |
3839 98.06032 529705.0 | 3839 98.06032 529705.0 |
3840 103.05467 131256.0 | 3840 103.05467 131256.0 |
3841 105.07019 127685.0 | 3841 105.07019 127685.0 |
3842 106.06545 53082.0 | 3842 106.06545 53082.0 |
3843 107.04936 136788.0 | 3843 107.04936 136788.0 |
3844 107.08593 34588.0 | 3844 107.08593 34588.0 |
3845 108.0446 65341.0 | 3845 108.0446 65341.0 |
3846 108.08108 867554.0 | 3846 108.08108 867554.0 |
3847 109.0651 107578.0 | 3847 109.0651 107578.0 |
3848 110.06044 125419.0 | 3848 110.06044 125419.0 |
3849 111.04435 54097.0 | 3849 111.04435 54097.0 |
3850 111.06822 33474.0 | 3850 111.06822 33474.0 |
3851 114.0916 70953.0 | 3851 114.0916 70953.0 |
3852 117.07031 92684.0 | 3852 117.07031 92684.0 |
3853 118.06553 57896.0 | 3853 118.06553 57896.0 |
3854 119.04944 77592.0 | 3854 119.04944 77592.0 |
3855 119.0857 101869.0 | 3855 119.0857 101869.0 |
3856 120.081 44118.0 | 3856 120.081 44118.0 |
3857 121.06523 314215.0 | 3857 121.06523 314215.0 |
3858 122.06016 283363.0 | 3858 122.06016 283363.0 |
3859 122.09673 58647.0 | 3859 122.09673 58647.0 |
3860 124.07605 110151.0 | 3860 124.07605 110151.0 |
3861 127.02138 108658.0 | 3861 127.02138 108658.0 |
3862 133.10155 43604.0 | 3862 133.10155 43604.0 |
3863 134.06033 82368.0 | 3863 134.06033 82368.0 |
3864 134.09659 80374.0 | 3864 134.09659 80374.0 |
3865 135.08092 42793.0 | 3865 135.08092 42793.0 |
3866 136.07613 1946515.0 | 3866 136.07613 1946515.0 |
3867 136.11234 44348.0 | 3867 136.11234 44348.0 |
3868 137.05997 112159.0 | 3868 137.05997 112159.0 |
3869 138.05539 37327.0 | 3869 138.05539 37327.0 |
3870 138.09154 107538.0 | 3870 138.09154 107538.0 |
3871 146.06033 140672.0 | 3871 146.06033 140672.0 |
3872 146.09682 35123.0 | 3872 146.09682 35123.0 |
3873 147.04449 448482.0 | 3873 147.04449 448482.0 |
3874 147.06795 32058.0 | 3874 147.06795 32058.0 |
3875 147.08089 54066.0 | 3875 147.08089 54066.0 |
3876 148.0759 90038.0 | 3876 148.0759 90038.0 |
3877 149.06003 660024.0 | 3877 149.06003 660024.0 |
3878 150.09151 33706.0 | 3878 150.09151 33706.0 |
3879 152.07103 119001.0 | 3879 152.07103 119001.0 |
3880 161.0601 46725.0 | 3880 161.0601 46725.0 |
3881 161.09631 40686.0 | 3881 161.09631 40686.0 |
3882 162.09196 88271.0 | 3882 162.09196 88271.0 |
3883 163.06331 31458.0 | 3883 163.06331 31458.0 |
3884 164.07106 2144695.0 | 3884 164.07106 2144695.0 |
3885 164.10716 97593.0 | 3885 164.10716 97593.0 |
3886 166.08664 3133889.0 | 3886 166.08664 3133889.0 |
3887 166.12283 98337.0 | 3887 166.12283 98337.0 |
3888 167.09418 133413.0 | 3888 167.09418 133413.0 |
3889 177.07883 31343.0 | 3889 177.07883 31343.0 |
3890 178.12309 80524.0 | 3890 178.12309 80524.0 |
3891 179.09425 38320.0 | 3891 179.09425 38320.0 |
3892 180.10194 39682.0 | 3892 180.10194 39682.0 |
3893 190.1227 42958.0 | 3893 190.1227 42958.0 |
3894 192.10233 115116.0 | 3894 192.10233 115116.0 |
3895 206.11787 45529.0 | 3895 206.11787 45529.0 |
3896 208.13387 37258.0 | 3896 208.13387 37258.0 |
3897 212.11047 103531.0 | 3897 212.11047 103531.0 |
3898 240.10542 87328.0 | 3898 240.10542 87328.0 |
3899 | 3899 |
3900 COMPOUND_NAME: Clothianidin | |
3900 SCANNUMBER: 1358 | 3901 SCANNUMBER: 1358 |
3901 IONMODE: positive | 3902 IONMODE: positive |
3902 SPECTRUMTYPE: Centroid | 3903 SPECTRUMTYPE: Centroid |
3903 FORMULA: C6H8N5O2ClS | 3904 FORMULA: C6H8N5O2ClS |
3904 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N | 3905 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N |
3905 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl | 3906 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl |
3906 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3907 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3907 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3908 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3908 IONIZATION: ESI+ | 3909 IONIZATION: ESI+ |
3909 LICENSE: CC BY-NC | 3910 LICENSE: CC BY-NC |
3910 COMPOUND_NAME: Clothianidin | |
3911 RETENTION_TIME: 2.767634 | 3911 RETENTION_TIME: 2.767634 |
3912 PRECURSOR_MZ: 250.0162 | 3912 PRECURSOR_MZ: 250.0162 |
3913 ADDUCT: [M+H]+ | 3913 ADDUCT: [M+H]+ |
3914 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3914 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3915 NUM PEAKS: 12 | 3915 NUM PEAKS: 12 |
3916 113.01702 68898.0 | 3916 113.01702 68898.0 |
3917 131.96729 1556136.0 | 3917 131.96729 1556136.0 |
3918 146.97801 24619.0 | 3918 146.97801 24619.0 |
3919 168.04659 701063.0 | 3919 168.04659 701063.0 |
3920 169.05435 2394222.0 | 3920 169.05435 2394222.0 |
3921 172.98125 33776.0 | 3921 172.98125 33776.0 |
3922 174.9729 46060.0 | 3922 174.9729 46060.0 |
3923 203.01552 30320.0 | 3923 203.01552 30320.0 |
3924 204.02304 121736.0 | 3924 204.02304 121736.0 |
3925 206.01546 199604.0 | 3925 206.01546 199604.0 |
3926 220.01871 34828.0 | 3926 220.01871 34828.0 |
3927 250.01668 782407.0 | 3927 250.01668 782407.0 |
3928 | 3928 |
3929 COMPOUND_NAME: Cyazofamid | |
3929 SCANNUMBER: 4651 | 3930 SCANNUMBER: 4651 |
3930 IONMODE: positive | 3931 IONMODE: positive |
3931 SPECTRUMTYPE: Centroid | 3932 SPECTRUMTYPE: Centroid |
3932 FORMULA: C13H13N4O2ClS | 3933 FORMULA: C13H13N4O2ClS |
3933 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N | 3934 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N |
3934 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl | 3935 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl |
3935 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3936 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3936 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3937 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3937 IONIZATION: ESI+ | 3938 IONIZATION: ESI+ |
3938 LICENSE: CC BY-NC | 3939 LICENSE: CC BY-NC |
3939 COMPOUND_NAME: Cyazofamid | |
3940 RETENTION_TIME: 6.824718 | 3940 RETENTION_TIME: 6.824718 |
3941 PRECURSOR_MZ: 325.0526 | 3941 PRECURSOR_MZ: 325.0526 |
3942 ADDUCT: [M+H]+ | 3942 ADDUCT: [M+H]+ |
3943 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3943 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3944 NUM PEAKS: 14 | 3944 NUM PEAKS: 14 |
3945 108.01175 7160721.0 | 3945 108.01175 7160721.0 |
3946 216.03249 215458.0 | 3946 216.03249 215458.0 |
3947 217.0407 634975.0 | 3947 217.0407 634975.0 |
3948 218.0482 106134.0 | 3948 218.0482 106134.0 |
3949 225.11369 156877.0 | 3949 225.11369 156877.0 |
3950 226.12143 91884.0 | 3950 226.12143 91884.0 |
3951 233.06017 429313.0 | 3951 233.06017 429313.0 |
3952 251.07034 448093.0 | 3952 251.07034 448093.0 |
3953 251.10664 310661.0 | 3953 251.10664 310661.0 |
3954 261.09036 1553497.0 | 3954 261.09036 1553497.0 |
3955 279.10236 522333.0 | 3955 279.10236 522333.0 |
3956 325.052 1817226.0 | 3956 325.052 1817226.0 |
3957 325.14325 121241.0 | 3957 325.14325 121241.0 |
3958 325.23611 85648.0 | 3958 325.23611 85648.0 |
3959 | 3959 |
3960 COMPOUND_NAME: Ethiprole | |
3960 SCANNUMBER: 2873 | 3961 SCANNUMBER: 2873 |
3961 IONMODE: positive | 3962 IONMODE: positive |
3962 SPECTRUMTYPE: Centroid | 3963 SPECTRUMTYPE: Centroid |
3963 FORMULA: C13H9N4OCl2F3S | 3964 FORMULA: C13H9N4OCl2F3S |
3964 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N | 3965 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N |
3965 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F | 3966 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F |
3966 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3967 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3967 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3968 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3968 IONIZATION: ESI+ | 3969 IONIZATION: ESI+ |
3969 LICENSE: CC BY-NC | 3970 LICENSE: CC BY-NC |
3970 COMPOUND_NAME: Ethiprole | |
3971 RETENTION_TIME: 5.828761 | 3971 RETENTION_TIME: 5.828761 |
3972 PRECURSOR_MZ: 396.991 | 3972 PRECURSOR_MZ: 396.991 |
3973 ADDUCT: [M+H]+ | 3973 ADDUCT: [M+H]+ |
3974 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 3974 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
3975 NUM PEAKS: 11 | 3975 NUM PEAKS: 11 |
3976 212.94865 522963.0 | 3976 212.94865 522963.0 |
3977 227.9595 466048.0 | 3977 227.9595 466048.0 |
3978 240.95441 720208.0 | 3978 240.95441 720208.0 |
3979 254.9706 13822754.0 | 3979 254.9706 13822754.0 |
3980 263.97287 158454.0 | 3980 263.97287 158454.0 |
3981 271.93167 238242.0 | 3981 271.93167 238242.0 |
3982 288.95517 162603.0 | 3982 288.95517 162603.0 |
3983 288.96835 478467.0 | 3983 288.96835 478467.0 |
3984 315.97946 548987.0 | 3984 315.97946 548987.0 |
3985 323.93817 233169.0 | 3985 323.93817 233169.0 |
3986 350.94952 1933706.0 | 3986 350.94952 1933706.0 |
3987 | 3987 |
3988 COMPOUND_NAME: Ethofumesate | |
3988 SCANNUMBER: 3176 | 3989 SCANNUMBER: 3176 |
3989 IONMODE: positive | 3990 IONMODE: positive |
3990 SPECTRUMTYPE: Centroid | 3991 SPECTRUMTYPE: Centroid |
3991 FORMULA: C13H18O5S | 3992 FORMULA: C13H18O5S |
3992 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N | 3993 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N |
3993 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C | 3994 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C |
3994 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 3995 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
3995 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 3996 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
3996 IONIZATION: ESI+ | 3997 IONIZATION: ESI+ |
3997 LICENSE: CC BY-NC | 3998 LICENSE: CC BY-NC |
3998 COMPOUND_NAME: Ethofumesate | |
3999 RETENTION_TIME: 6.01901 | 3999 RETENTION_TIME: 6.01901 |
4000 PRECURSOR_MZ: 287.0957 | 4000 PRECURSOR_MZ: 287.0957 |
4001 ADDUCT: [M+H]+ | 4001 ADDUCT: [M+H]+ |
4002 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4002 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4003 NUM PEAKS: 10 | 4003 NUM PEAKS: 10 |
4004 121.06523 2086509.0 | 4004 121.06523 2086509.0 |
4005 149.09618 158152.0 | 4005 149.09618 158152.0 |
4006 161.0601 278315.0 | 4006 161.0601 278315.0 |
4007 162.0676 51729.0 | 4007 162.0676 51729.0 |
4008 163.07561 321436.0 | 4008 163.07561 321436.0 |
4009 179.07047 102226.0 | 4009 179.07047 102226.0 |
4010 241.05281 803837.0 | 4010 241.05281 803837.0 |
4011 259.06424 3450423.0 | 4011 259.06424 3450423.0 |
4012 277.07498 105295.0 | 4012 277.07498 105295.0 |
4013 287.09497 1000737.0 | 4013 287.09497 1000737.0 |
4014 | 4014 |
4015 COMPOUND_NAME: Fenamidone | |
4015 SCANNUMBER: 4022 | 4016 SCANNUMBER: 4022 |
4016 IONMODE: positive | 4017 IONMODE: positive |
4017 SPECTRUMTYPE: Centroid | 4018 SPECTRUMTYPE: Centroid |
4018 FORMULA: C17H17N3OS | 4019 FORMULA: C17H17N3OS |
4019 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N | 4020 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N |
4020 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1 | 4021 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1 |
4021 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4022 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4022 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4023 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4023 IONIZATION: ESI+ | 4024 IONIZATION: ESI+ |
4024 LICENSE: CC BY-NC | 4025 LICENSE: CC BY-NC |
4025 COMPOUND_NAME: Fenamidone | |
4026 RETENTION_TIME: 6.626915 | 4026 RETENTION_TIME: 6.626915 |
4027 PRECURSOR_MZ: 312.1172 | 4027 PRECURSOR_MZ: 312.1172 |
4028 ADDUCT: [M+H]+ | 4028 ADDUCT: [M+H]+ |
4029 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4029 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4030 NUM PEAKS: 23 | 4030 NUM PEAKS: 23 |
4031 92.0498 32114948.0 | 4031 92.0498 32114948.0 |
4032 103.05439 9639649.0 | 4032 103.05439 9639649.0 |
4033 104.04984 654872.0 | 4033 104.04984 654872.0 |
4034 118.05279 339058.0 | 4034 118.05279 339058.0 |
4035 120.081 4707760.0 | 4035 120.081 4707760.0 |
4036 124.07605 564026.0 | 4036 124.07605 564026.0 |
4037 133.06364 333596.0 | 4037 133.06364 333596.0 |
4038 133.07642 2035568.0 | 4038 133.07642 2035568.0 |
4039 134.07159 10042268.0 | 4039 134.07159 10042268.0 |
4040 150.02492 4123380.0 | 4040 150.02492 4123380.0 |
4041 158.07153 1565433.0 | 4041 158.07153 1565433.0 |
4042 161.07108 557286.0 | 4042 161.07108 557286.0 |
4043 165.04834 2679578.0 | 4043 165.04834 2679578.0 |
4044 170.09679 350930.0 | 4044 170.09679 350930.0 |
4045 194.09637 1767185.0 | 4045 194.09637 1767185.0 |
4046 195.09152 465030.0 | 4046 195.09152 465030.0 |
4047 206.08372 504328.0 | 4047 206.08372 504328.0 |
4048 207.06779 429040.0 | 4048 207.06779 429040.0 |
4049 211.12321 535099.0 | 4049 211.12321 535099.0 |
4050 219.09235 850480.0 | 4050 219.09235 850480.0 |
4051 221.0947 1138537.0 | 4051 221.0947 1138537.0 |
4052 236.11884 5452674.0 | 4052 236.11884 5452674.0 |
4053 237.04855 688489.0 | 4053 237.04855 688489.0 |
4054 | 4054 |
4055 COMPOUND_NAME: Fipronil | |
4055 SCANNUMBER: 3428 | 4056 SCANNUMBER: 3428 |
4056 IONMODE: positive | 4057 IONMODE: positive |
4057 SPECTRUMTYPE: Centroid | 4058 SPECTRUMTYPE: Centroid |
4058 FORMULA: C12H4N4OCl2F6S | 4059 FORMULA: C12H4N4OCl2F6S |
4059 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N | 4060 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N |
4060 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F | 4061 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F |
4061 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4062 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4062 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4063 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4063 IONIZATION: ESI+ | 4064 IONIZATION: ESI+ |
4064 LICENSE: CC BY-NC | 4065 LICENSE: CC BY-NC |
4065 COMPOUND_NAME: Fipronil | |
4066 RETENTION_TIME: 6.367518 | 4066 RETENTION_TIME: 6.367518 |
4067 PRECURSOR_MZ: 436.9474 | 4067 PRECURSOR_MZ: 436.9474 |
4068 ADDUCT: [M+H]+ | 4068 ADDUCT: [M+H]+ |
4069 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4069 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4070 NUM PEAKS: 44 | 4070 NUM PEAKS: 44 |
4071 85.96982 4313.0 | 4071 85.96982 4313.0 |
4072 113.00444 3712.0 | 4072 113.00444 3712.0 |
4073 113.98832 5133.0 | 4073 113.98832 5133.0 |
4074 139.99144 7362.0 | 4074 139.99144 7362.0 |
4075 212.94781 4882.0 | 4075 212.94781 4882.0 |
4076 221.00912 225249.0 | 4076 221.00912 225249.0 |
4077 227.95949 26131.0 | 4077 227.95949 26131.0 |
4078 228.96689 57334.0 | 4078 228.96689 57334.0 |
4079 229.97443 5477.0 | 4079 229.97443 5477.0 |
4080 238.95135 20431.0 | 4080 238.95135 20431.0 |
4081 239.95872 31698.0 | 4081 239.95872 31698.0 |
4082 240.95441 5173.0 | 4082 240.95441 5173.0 |
4083 246.00426 38514.0 | 4083 246.00426 38514.0 |
4084 246.98785 4361.0 | 4084 246.98785 4361.0 |
4085 249.00337 20177.0 | 4085 249.00337 20177.0 |
4086 252.98164 49955.0 | 4086 252.98164 49955.0 |
4087 253.96179 34002.0 | 4087 253.96179 34002.0 |
4088 254.96948 369569.0 | 4088 254.96948 369569.0 |
4089 255.97771 5120.0 | 4089 255.97771 5120.0 |
4090 256.92007 8581.0 | 4090 256.92007 8581.0 |
4091 257.96988 6310.0 | 4091 257.96988 6310.0 |
4092 258.00436 15884.0 | 4092 258.00436 15884.0 |
4093 262.96518 141114.0 | 4093 262.96518 141114.0 |
4094 263.94986 4319.0 | 4094 263.94986 4319.0 |
4095 264.95398 10810.0 | 4095 264.95398 10810.0 |
4096 265.00839 13074.0 | 4096 265.00839 13074.0 |
4097 266.97012 5374.0 | 4097 266.97012 5374.0 |
4098 270.00439 13928.0 | 4098 270.00439 13928.0 |
4099 270.92358 71148.0 | 4099 270.92358 71148.0 |
4100 277.9621 52537.0 | 4100 277.9621 52537.0 |
4101 280.97632 110429.0 | 4101 280.97632 110429.0 |
4102 281.98138 13157.0 | 4102 281.98138 13157.0 |
4103 284.00772 9139.0 | 4103 284.00772 9139.0 |
4104 285.01489 32296.0 | 4104 285.01489 32296.0 |
4105 287.96118 3855.0 | 4105 287.96118 3855.0 |
4106 289.97687 181252.0 | 4106 289.97687 181252.0 |
4107 305.97165 38958.0 | 4107 305.97165 38958.0 |
4108 314.97189 30271.0 | 4108 314.97189 30271.0 |
4109 315.97946 17897.0 | 4109 315.97946 17897.0 |
4110 319.98468 18911.0 | 4110 319.98468 18911.0 |
4111 332.98279 23894.0 | 4111 332.98279 23894.0 |
4112 341.94772 7327.0 | 4112 341.94772 7327.0 |
4113 350.94775 6206.0 | 4113 350.94775 6206.0 |
4114 367.95102 6446.0 | 4114 367.95102 6446.0 |
4115 | 4115 |
4116 COMPOUND_NAME: Flufenacet | |
4116 SCANNUMBER: 3663 | 4117 SCANNUMBER: 3663 |
4117 IONMODE: positive | 4118 IONMODE: positive |
4118 SPECTRUMTYPE: Centroid | 4119 SPECTRUMTYPE: Centroid |
4119 FORMULA: C14H13N3O2F4S | 4120 FORMULA: C14H13N3O2F4S |
4120 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N | 4121 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N |
4121 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C | 4122 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C |
4122 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4123 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4123 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4124 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4124 IONIZATION: ESI+ | 4125 IONIZATION: ESI+ |
4125 LICENSE: CC BY-NC | 4126 LICENSE: CC BY-NC |
4126 COMPOUND_NAME: Flufenacet | |
4127 RETENTION_TIME: 6.476889 | 4127 RETENTION_TIME: 6.476889 |
4128 PRECURSOR_MZ: 364.0744 | 4128 PRECURSOR_MZ: 364.0744 |
4129 ADDUCT: [M+H]+ | 4129 ADDUCT: [M+H]+ |
4130 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4130 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4131 NUM PEAKS: 5 | 4131 NUM PEAKS: 5 |
4132 124.05603 201655.0 | 4132 124.05603 201655.0 |
4133 152.0509 5487354.0 | 4133 152.0509 5487354.0 |
4134 152.08713 528888.0 | 4134 152.08713 528888.0 |
4135 194.09782 19271964.0 | 4135 194.09782 19271964.0 |
4136 364.07422 2107439.0 | 4136 364.07422 2107439.0 |
4137 | 4137 |
4138 COMPOUND_NAME: Hexythiazox | |
4138 SCANNUMBER: 7986 | 4139 SCANNUMBER: 7986 |
4139 IONMODE: positive | 4140 IONMODE: positive |
4140 SPECTRUMTYPE: Centroid | 4141 SPECTRUMTYPE: Centroid |
4141 FORMULA: C17H21N2O2ClS | 4142 FORMULA: C17H21N2O2ClS |
4142 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N | 4143 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N |
4143 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O | 4144 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O |
4144 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4145 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4145 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4146 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4146 IONIZATION: ESI+ | 4147 IONIZATION: ESI+ |
4147 LICENSE: CC BY-NC | 4148 LICENSE: CC BY-NC |
4148 COMPOUND_NAME: Hexythiazox | |
4149 RETENTION_TIME: 7.46046 | 4149 RETENTION_TIME: 7.46046 |
4150 PRECURSOR_MZ: 353.1096 | 4150 PRECURSOR_MZ: 353.1096 |
4151 ADDUCT: [M+H]+ | 4151 ADDUCT: [M+H]+ |
4152 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4152 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4153 NUM PEAKS: 18 | 4153 NUM PEAKS: 18 |
4154 115.0543 1419536.0 | 4154 115.0543 1419536.0 |
4155 116.06212 1728574.0 | 4155 116.06212 1728574.0 |
4156 117.05739 141175.0 | 4156 117.05739 141175.0 |
4157 125.01533 77703.0 | 4157 125.01533 77703.0 |
4158 132.08089 464129.0 | 4158 132.08089 464129.0 |
4159 133.06488 142255.0 | 4159 133.06488 142255.0 |
4160 133.08878 1059309.0 | 4160 133.08878 1059309.0 |
4161 140.04968 116606.0 | 4161 140.04968 116606.0 |
4162 141.05769 118308.0 | 4162 141.05769 118308.0 |
4163 143.06068 285902.0 | 4163 143.06068 285902.0 |
4164 151.03107 3098662.0 | 4164 151.03107 3098662.0 |
4165 153.03435 252766.0 | 4165 153.03435 252766.0 |
4166 159.06828 444319.0 | 4166 159.06828 444319.0 |
4167 168.05769 6763262.0 | 4167 168.05769 6763262.0 |
4168 176.02615 779438.0 | 4168 176.02615 779438.0 |
4169 194.03688 1165217.0 | 4169 194.03688 1165217.0 |
4170 210.01369 101590.0 | 4170 210.01369 101590.0 |
4171 228.02509 203533.0 | 4171 228.02509 203533.0 |
4172 | 4172 |
4173 COMPOUND_NAME: Mefenacet | |
4173 SCANNUMBER: 6090 | 4174 SCANNUMBER: 6090 |
4174 IONMODE: positive | 4175 IONMODE: positive |
4175 SPECTRUMTYPE: Centroid | 4176 SPECTRUMTYPE: Centroid |
4176 FORMULA: C16H14N2O2S | 4177 FORMULA: C16H14N2O2S |
4177 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N | 4178 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N |
4178 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2 | 4179 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2 |
4179 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4180 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4180 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4181 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4181 IONIZATION: ESI+ | 4182 IONIZATION: ESI+ |
4182 LICENSE: CC BY-NC | 4183 LICENSE: CC BY-NC |
4183 COMPOUND_NAME: Mefenacet | |
4184 RETENTION_TIME: 7.143147 | 4184 RETENTION_TIME: 7.143147 |
4185 PRECURSOR_MZ: 299.0857 | 4185 PRECURSOR_MZ: 299.0857 |
4186 ADDUCT: [M+H]+ | 4186 ADDUCT: [M+H]+ |
4187 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4187 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4188 NUM PEAKS: 10 | 4188 NUM PEAKS: 10 |
4189 91.05441 4904942.0 | 4189 91.05441 4904942.0 |
4190 93.07003 396728.0 | 4190 93.07003 396728.0 |
4191 95.04928 309109.0 | 4191 95.04928 309109.0 |
4192 103.05439 240325.0 | 4192 103.05439 240325.0 |
4193 105.05748 315163.0 | 4193 105.05748 315163.0 |
4194 118.06553 748880.0 | 4194 118.06553 748880.0 |
4195 120.081 20302168.0 | 4195 120.081 20302168.0 |
4196 136.02161 2145909.0 | 4196 136.02161 2145909.0 |
4197 148.0759 2833957.0 | 4197 148.0759 2833957.0 |
4198 152.01669 272045.0 | 4198 152.01669 272045.0 |
4199 | 4199 |
4200 COMPOUND_NAME: Mesotrione | |
4200 SCANNUMBER: 1880 | 4201 SCANNUMBER: 1880 |
4201 IONMODE: positive | 4202 IONMODE: positive |
4202 SPECTRUMTYPE: Centroid | 4203 SPECTRUMTYPE: Centroid |
4203 FORMULA: C14H13NO7S | 4204 FORMULA: C14H13NO7S |
4204 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N | 4205 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N |
4205 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C | 4206 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C |
4206 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4207 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4207 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4208 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4208 IONIZATION: ESI+ | 4209 IONIZATION: ESI+ |
4209 LICENSE: CC BY-NC | 4210 LICENSE: CC BY-NC |
4210 COMPOUND_NAME: Mesotrione | |
4211 RETENTION_TIME: 4.438974 | 4211 RETENTION_TIME: 4.438974 |
4212 PRECURSOR_MZ: 340.0492 | 4212 PRECURSOR_MZ: 340.0492 |
4213 ADDUCT: [M+H]+ | 4213 ADDUCT: [M+H]+ |
4214 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4214 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4215 NUM PEAKS: 21 | 4215 NUM PEAKS: 21 |
4216 92.0498 20384.0 | 4216 92.0498 20384.0 |
4217 94.02896 22521.0 | 4217 94.02896 22521.0 |
4218 95.01298 42541.0 | 4218 95.01298 42541.0 |
4219 104.01339 1414098.0 | 4219 104.01339 1414098.0 |
4220 107.0131 68271.0 | 4220 107.0131 68271.0 |
4221 108.02079 22960.0 | 4221 108.02079 22960.0 |
4222 111.04435 27776.0 | 4222 111.04435 27776.0 |
4223 119.01284 29585.0 | 4223 119.01284 29585.0 |
4224 122.02398 38301.0 | 4224 122.02398 38301.0 |
4225 136.03949 15704.0 | 4225 136.03949 15704.0 |
4226 154.97983 175640.0 | 4226 154.97983 175640.0 |
4227 166.0137 179306.0 | 4227 166.0137 179306.0 |
4228 170.00336 47194.0 | 4228 170.00336 47194.0 |
4229 182.0032 34021.0 | 4229 182.0032 34021.0 |
4230 214.06305 78325.0 | 4230 214.06305 78325.0 |
4231 216.00862 81842.0 | 4231 216.00862 81842.0 |
4232 227.99644 875193.0 | 4232 227.99644 875193.0 |
4233 260.02258 25724.0 | 4233 260.02258 25724.0 |
4234 275.03772 37760.0 | 4234 275.03772 37760.0 |
4235 293.04776 19676.0 | 4235 293.04776 19676.0 |
4236 294.05606 18376.0 | 4236 294.05606 18376.0 |
4237 | 4237 |
4238 COMPOUND_NAME: Methoprotryne | |
4238 SCANNUMBER: 2365 | 4239 SCANNUMBER: 2365 |
4239 IONMODE: positive | 4240 IONMODE: positive |
4240 SPECTRUMTYPE: Centroid | 4241 SPECTRUMTYPE: Centroid |
4241 FORMULA: C11H21N5OS | 4242 FORMULA: C11H21N5OS |
4242 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N | 4243 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N |
4243 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 | 4244 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 |
4244 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4245 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4245 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4246 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4246 IONIZATION: ESI+ | 4247 IONIZATION: ESI+ |
4247 LICENSE: CC BY-NC | 4248 LICENSE: CC BY-NC |
4248 COMPOUND_NAME: Methoprotryne | |
4249 RETENTION_TIME: 4.953537 | 4249 RETENTION_TIME: 4.953537 |
4250 PRECURSOR_MZ: 272.1545 | 4250 PRECURSOR_MZ: 272.1545 |
4251 ADDUCT: [M+H]+ | 4251 ADDUCT: [M+H]+ |
4252 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4252 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4253 NUM PEAKS: 15 | 4253 NUM PEAKS: 15 |
4254 91.03273 1224280.0 | 4254 91.03273 1224280.0 |
4255 103.03277 469421.0 | 4255 103.03277 469421.0 |
4256 108.05575 1098439.0 | 4256 108.05575 1098439.0 |
4257 116.0279 2387399.0 | 4257 116.0279 2387399.0 |
4258 125.0825 7238442.0 | 4258 125.0825 7238442.0 |
4259 150.07768 1073510.0 | 4259 150.07768 1073510.0 |
4260 152.09319 544524.0 | 4260 152.09319 544524.0 |
4261 156.03424 386143.0 | 4261 156.03424 386143.0 |
4262 156.05936 523005.0 | 4262 156.05936 523005.0 |
4263 158.04967 579874.0 | 4263 158.04967 579874.0 |
4264 170.04977 30639952.0 | 4264 170.04977 30639952.0 |
4265 198.08067 12326767.0 | 4265 198.08067 12326767.0 |
4266 212.09639 2176296.0 | 4266 212.09639 2176296.0 |
4267 230.10741 452827.0 | 4267 230.10741 452827.0 |
4268 240.1284 1276547.0 | 4268 240.1284 1276547.0 |
4269 | 4269 |
4270 COMPOUND_NAME: Metribuzin | |
4270 SCANNUMBER: 1932 | 4271 SCANNUMBER: 1932 |
4271 IONMODE: positive | 4272 IONMODE: positive |
4272 SPECTRUMTYPE: Centroid | 4273 SPECTRUMTYPE: Centroid |
4273 FORMULA: C8H14N4OS | 4274 FORMULA: C8H14N4OS |
4274 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N | 4275 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N |
4275 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C | 4276 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C |
4276 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4277 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4277 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4278 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4278 IONIZATION: ESI+ | 4279 IONIZATION: ESI+ |
4279 LICENSE: CC BY-NC | 4280 LICENSE: CC BY-NC |
4280 COMPOUND_NAME: Metribuzin | |
4281 RETENTION_TIME: 4.458099 | 4281 RETENTION_TIME: 4.458099 |
4282 PRECURSOR_MZ: 215.0965 | 4282 PRECURSOR_MZ: 215.0965 |
4283 ADDUCT: [M+H]+ | 4283 ADDUCT: [M+H]+ |
4284 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4284 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4285 NUM PEAKS: 62 | 4285 NUM PEAKS: 62 |
4286 85.08886 22454.0 | 4286 85.08886 22454.0 |
4287 87.00137 169483.0 | 4287 87.00137 169483.0 |
4288 88.00926 84542.0 | 4288 88.00926 84542.0 |
4289 89.01718 426359.0 | 4289 89.01718 426359.0 |
4290 95.06072 92527.0 | 4290 95.06072 92527.0 |
4291 96.04461 50118.0 | 4291 96.04461 50118.0 |
4292 97.06514 96987.0 | 4292 97.06514 96987.0 |
4293 98.05901 20223.0 | 4293 98.05901 20223.0 |
4294 99.09205 39234.0 | 4294 99.09205 39234.0 |
4295 104.02791 100681.0 | 4295 104.02791 100681.0 |
4296 108.06841 101836.0 | 4296 108.06841 101836.0 |
4297 109.07641 56085.0 | 4297 109.07641 56085.0 |
4298 110.06014 53533.0 | 4298 110.06014 53533.0 |
4299 110.08431 26239.0 | 4299 110.08431 26239.0 |
4300 114.03733 55997.0 | 4300 114.03733 55997.0 |
4301 114.99636 118244.0 | 4301 114.99636 118244.0 |
4302 115.0202 36933.0 | 4302 115.0202 36933.0 |
4303 116.01549 91102.0 | 4303 116.01549 91102.0 |
4304 117.01186 22228.0 | 4304 117.01186 22228.0 |
4305 123.05569 75674.0 | 4305 123.05569 75674.0 |
4306 123.07951 19671.0 | 4306 123.07951 19671.0 |
4307 124.06344 40346.0 | 4307 124.06344 40346.0 |
4308 124.08718 18832.0 | 4308 124.08718 18832.0 |
4309 125.07124 54613.0 | 4309 125.07124 54613.0 |
4310 125.0825 115086.0 | 4310 125.0825 115086.0 |
4311 126.10277 28501.0 | 4311 126.10277 28501.0 |
4312 129.03598 19818.0 | 4312 129.03598 19818.0 |
4313 130.03105 252134.0 | 4313 130.03105 252134.0 |
4314 131.0276 22354.0 | 4314 131.0276 22354.0 |
4315 131.03888 1631897.0 | 4315 131.03888 1631897.0 |
4316 139.03265 27241.0 | 4316 139.03265 27241.0 |
4317 139.09824 52072.0 | 4317 139.09824 52072.0 |
4318 140.04034 101100.0 | 4318 140.04034 101100.0 |
4319 141.03566 33429.0 | 4319 141.03566 33429.0 |
4320 141.04825 19469.0 | 4320 141.04825 19469.0 |
4321 143.06389 91872.0 | 4321 143.06389 91872.0 |
4322 144.03552 36694.0 | 4322 144.03552 36694.0 |
4323 145.05458 227341.0 | 4323 145.05458 227341.0 |
4324 147.91982 56049.0 | 4324 147.91982 56049.0 |
4325 147.93188 52360.0 | 4325 147.93188 52360.0 |
4326 147.93575 42677.0 | 4326 147.93575 42677.0 |
4327 147.94106 55028.0 | 4327 147.94106 55028.0 |
4328 153.07755 94895.0 | 4328 153.07755 94895.0 |
4329 154.04378 27710.0 | 4329 154.04378 27710.0 |
4330 155.05132 25496.0 | 4330 155.05132 25496.0 |
4331 155.06427 49916.0 | 4331 155.06427 49916.0 |
4332 156.05936 708006.0 | 4332 156.05936 708006.0 |
4333 157.04344 120558.0 | 4333 157.04344 120558.0 |
4334 157.05453 30768.0 | 4334 157.05453 30768.0 |
4335 168.02261 18988.0 | 4335 168.02261 18988.0 |
4336 170.07477 29338.0 | 4336 170.07477 29338.0 |
4337 171.05882 968992.0 | 4337 171.05882 968992.0 |
4338 171.07022 30976.0 | 4338 171.07022 30976.0 |
4339 171.08282 34546.0 | 4339 171.08282 34546.0 |
4340 172.07808 172693.0 | 4340 172.07808 172693.0 |
4341 173.50877 74710.0 | 4341 173.50877 74710.0 |
4342 182.03879 33707.0 | 4342 182.03879 33707.0 |
4343 183.04619 29308.0 | 4343 183.04619 29308.0 |
4344 184.05394 333698.0 | 4344 184.05394 333698.0 |
4345 186.08231 47791.0 | 4345 186.08231 47791.0 |
4346 187.10153 1851092.0 | 4346 187.10153 1851092.0 |
4347 215.09644 112225.0 | 4347 215.09644 112225.0 |
4348 | 4348 |
4349 COMPOUND_NAME: Prometryne | |
4349 SCANNUMBER: 2407 | 4350 SCANNUMBER: 2407 |
4350 IONMODE: positive | 4351 IONMODE: positive |
4351 SPECTRUMTYPE: Centroid | 4352 SPECTRUMTYPE: Centroid |
4352 FORMULA: C10H19N5S | 4353 FORMULA: C10H19N5S |
4353 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N | 4354 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N |
4354 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 | 4355 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 |
4355 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4356 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4356 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4357 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4357 IONIZATION: ESI+ | 4358 IONIZATION: ESI+ |
4358 LICENSE: CC BY-NC | 4359 LICENSE: CC BY-NC |
4359 COMPOUND_NAME: Prometryne | |
4360 RETENTION_TIME: 4.990861 | 4360 RETENTION_TIME: 4.990861 |
4361 PRECURSOR_MZ: 242.1439 | 4361 PRECURSOR_MZ: 242.1439 |
4362 ADDUCT: [M+H]+ | 4362 ADDUCT: [M+H]+ |
4363 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4363 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4364 NUM PEAKS: 15 | 4364 NUM PEAKS: 15 |
4365 85.05116 4457818.0 | 4365 85.05116 4457818.0 |
4366 91.03273 8009682.0 | 4366 91.03273 8009682.0 |
4367 96.05572 6069758.0 | 4367 96.05572 6069758.0 |
4368 102.03746 367626.0 | 4368 102.03746 367626.0 |
4369 110.04619 4165152.0 | 4369 110.04619 4165152.0 |
4370 110.0716 444450.0 | 4370 110.0716 444450.0 |
4371 113.0825 1093208.0 | 4371 113.0825 1093208.0 |
4372 116.0279 11189147.0 | 4372 116.0279 11189147.0 |
4373 138.07761 4951850.0 | 4373 138.07761 4951850.0 |
4374 144.05917 3781341.0 | 4374 144.05917 3781341.0 |
4375 158.04646 408855.0 | 4375 158.04646 408855.0 |
4376 158.04967 34215304.0 | 4376 158.04967 34215304.0 |
4377 173.50693 425480.0 | 4377 173.50693 425480.0 |
4378 186.08095 16656961.0 | 4378 186.08095 16656961.0 |
4379 200.09659 2036050.0 | 4379 200.09659 2036050.0 |
4380 | 4380 |
4381 COMPOUND_NAME: Pyridaben | |
4381 SCANNUMBER: 8415 | 4382 SCANNUMBER: 8415 |
4382 IONMODE: positive | 4383 IONMODE: positive |
4383 SPECTRUMTYPE: Centroid | 4384 SPECTRUMTYPE: Centroid |
4384 FORMULA: C19H25N2OClS | 4385 FORMULA: C19H25N2OClS |
4385 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N | 4386 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N |
4386 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C | 4387 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C |
4387 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4388 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4388 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4389 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4389 IONIZATION: ESI+ | 4390 IONIZATION: ESI+ |
4390 LICENSE: CC BY-NC | 4391 LICENSE: CC BY-NC |
4391 COMPOUND_NAME: Pyridaben | |
4392 RETENTION_TIME: 7.556859 | 4392 RETENTION_TIME: 7.556859 |
4393 PRECURSOR_MZ: 365.1459 | 4393 PRECURSOR_MZ: 365.1459 |
4394 ADDUCT: [M+H]+ | 4394 ADDUCT: [M+H]+ |
4395 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4395 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4396 NUM PEAKS: 3 | 4396 NUM PEAKS: 3 |
4397 147.11726 1746679.0 | 4397 147.11726 1746679.0 |
4398 309.0834 39061400.0 | 4398 309.0834 39061400.0 |
4399 365.14478 6893662.0 | 4399 365.14478 6893662.0 |
4400 | 4400 |
4401 COMPOUND_NAME: Simetryn | |
4401 SCANNUMBER: 1608 | 4402 SCANNUMBER: 1608 |
4402 IONMODE: positive | 4403 IONMODE: positive |
4403 SPECTRUMTYPE: Centroid | 4404 SPECTRUMTYPE: Centroid |
4404 FORMULA: C8H15N5S | 4405 FORMULA: C8H15N5S |
4405 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N | 4406 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N |
4406 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1 | 4407 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1 |
4407 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4408 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4408 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4409 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4409 IONIZATION: ESI+ | 4410 IONIZATION: ESI+ |
4410 LICENSE: CC BY-NC | 4411 LICENSE: CC BY-NC |
4411 COMPOUND_NAME: Simetryn | |
4412 RETENTION_TIME: 3.75983 | 4412 RETENTION_TIME: 3.75983 |
4413 PRECURSOR_MZ: 214.1124 | 4413 PRECURSOR_MZ: 214.1124 |
4414 ADDUCT: [M+H]+ | 4414 ADDUCT: [M+H]+ |
4415 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4415 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4416 NUM PEAKS: 12 | 4416 NUM PEAKS: 12 |
4417 91.03273 299056.0 | 4417 91.03273 299056.0 |
4418 96.05597 10435853.0 | 4418 96.05597 10435853.0 |
4419 102.03746 159989.0 | 4419 102.03746 159989.0 |
4420 113.0825 349517.0 | 4420 113.0825 349517.0 |
4421 116.0279 6039216.0 | 4421 116.0279 6039216.0 |
4422 124.08718 4340512.0 | 4422 124.08718 4340512.0 |
4423 138.07761 424357.0 | 4423 138.07761 424357.0 |
4424 144.05917 2698291.0 | 4424 144.05917 2698291.0 |
4425 158.04967 123923.0 | 4425 158.04967 123923.0 |
4426 166.10905 576911.0 | 4426 166.10905 576911.0 |
4427 186.08095 411980.0 | 4427 186.08095 411980.0 |
4428 214.11266 506708.0 | 4428 214.11266 506708.0 |
4429 | 4429 |
4430 COMPOUND_NAME: Sulfentrazone | |
4430 SCANNUMBER: 2110 | 4431 SCANNUMBER: 2110 |
4431 IONMODE: positive | 4432 IONMODE: positive |
4432 SPECTRUMTYPE: Centroid | 4433 SPECTRUMTYPE: Centroid |
4433 FORMULA: C11H10N4O3Cl2F2S | 4434 FORMULA: C11H10N4O3Cl2F2S |
4434 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N | 4435 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N |
4435 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C | 4436 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C |
4436 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4437 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4437 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4438 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4438 IONIZATION: ESI+ | 4439 IONIZATION: ESI+ |
4439 LICENSE: CC BY-NC | 4440 LICENSE: CC BY-NC |
4440 COMPOUND_NAME: Sulfentrazone | |
4441 RETENTION_TIME: 4.825635 | 4441 RETENTION_TIME: 4.825635 |
4442 PRECURSOR_MZ: 386.99 | 4442 PRECURSOR_MZ: 386.99 |
4443 ADDUCT: [M+H]+ | 4443 ADDUCT: [M+H]+ |
4444 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4444 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4445 NUM PEAKS: 48 | 4445 NUM PEAKS: 48 |
4446 92.03084 36986.0 | 4446 92.03084 36986.0 |
4447 109.9793 24541.0 | 4447 109.9793 24541.0 |
4448 111.99506 13105.0 | 4448 111.99506 13105.0 |
4449 127.99009 18850.0 | 4449 127.99009 18850.0 |
4450 136.99023 73690.0 | 4450 136.99023 73690.0 |
4451 139.00583 127950.0 | 4451 139.00583 127950.0 |
4452 145.95616 142592.0 | 4452 145.95616 142592.0 |
4453 146.00066 61013.0 | 4453 146.00066 61013.0 |
4454 146.96414 17631.0 | 4454 146.96414 17631.0 |
4455 149.04001 58665.0 | 4455 149.04001 58665.0 |
4456 155.00107 516575.0 | 4456 155.00107 516575.0 |
4457 157.95639 179021.0 | 4457 157.95639 179021.0 |
4458 163.96677 638082.0 | 4458 163.96677 638082.0 |
4459 172.96719 294246.0 | 4459 172.96719 294246.0 |
4460 173.50693 15383.0 | 4460 173.50693 15383.0 |
4461 173.95125 25670.0 | 4461 173.95125 25670.0 |
4462 173.97466 222766.0 | 4462 173.97466 222766.0 |
4463 175.96661 26415.0 | 4463 175.96661 26415.0 |
4464 178.01723 464585.0 | 4464 178.01723 464585.0 |
4465 180.03255 13838.0 | 4465 180.03255 13838.0 |
4466 182.01176 108423.0 | 4466 182.01176 108423.0 |
4467 186.98276 774653.0 | 4467 186.98276 774653.0 |
4468 190.97755 43534.0 | 4468 190.97755 43534.0 |
4469 198.94617 336099.0 | 4469 198.94617 336099.0 |
4470 200.96233 30494.0 | 4470 200.96233 30494.0 |
4471 212.00275 22753.0 | 4471 212.00275 22753.0 |
4472 213.9933 128858.0 | 4472 213.9933 128858.0 |
4473 218.9523 26640.0 | 4473 218.9523 26640.0 |
4474 221.02235 12118.0 | 4474 221.02235 12118.0 |
4475 222.03113 12834.0 | 4475 222.03113 12834.0 |
4476 223.03876 132014.0 | 4476 223.03876 132014.0 |
4477 226.96516 14865.0 | 4477 226.96516 14865.0 |
4478 232.00861 308335.0 | 4478 232.00861 308335.0 |
4479 245.96388 122236.0 | 4479 245.96388 122236.0 |
4480 246.97118 31675.0 | 4480 246.97118 31675.0 |
4481 256.99966 41655.0 | 4481 256.99966 41655.0 |
4482 258.00772 138182.0 | 4482 258.00772 138182.0 |
4483 271.01935 68960.0 | 4483 271.01935 68960.0 |
4484 272.02798 110904.0 | 4484 272.02798 110904.0 |
4485 273.035 1123625.0 | 4485 273.035 1123625.0 |
4486 274.04276 16257.0 | 4486 274.04276 16257.0 |
4487 279.98544 298347.0 | 4487 279.98544 298347.0 |
4488 286.99054 64325.0 | 4488 286.99054 64325.0 |
4489 287.99789 19349.0 | 4489 287.99789 19349.0 |
4490 289.03033 15241.0 | 4490 289.03033 15241.0 |
4491 306.99692 72556.0 | 4491 306.99692 72556.0 |
4492 308.00412 68794.0 | 4492 308.00412 68794.0 |
4493 336.99271 19232.0 | 4493 336.99271 19232.0 |
4494 | 4494 |
4495 COMPOUND_NAME: Terbutryn | |
4495 SCANNUMBER: 2407 | 4496 SCANNUMBER: 2407 |
4496 IONMODE: positive | 4497 IONMODE: positive |
4497 SPECTRUMTYPE: Centroid | 4498 SPECTRUMTYPE: Centroid |
4498 FORMULA: C10H19N5S | 4499 FORMULA: C10H19N5S |
4499 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N | 4500 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N |
4500 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C | 4501 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C |
4501 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4502 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4502 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4503 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4503 IONIZATION: ESI+ | 4504 IONIZATION: ESI+ |
4504 LICENSE: CC BY-NC | 4505 LICENSE: CC BY-NC |
4505 COMPOUND_NAME: Terbutryn | |
4506 RETENTION_TIME: 4.990861 | 4506 RETENTION_TIME: 4.990861 |
4507 PRECURSOR_MZ: 242.1439 | 4507 PRECURSOR_MZ: 242.1439 |
4508 ADDUCT: [M+H]+ | 4508 ADDUCT: [M+H]+ |
4509 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4509 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4510 NUM PEAKS: 15 | 4510 NUM PEAKS: 15 |
4511 85.05116 4457818.0 | 4511 85.05116 4457818.0 |
4512 91.03273 8009682.0 | 4512 91.03273 8009682.0 |
4513 96.05572 6069758.0 | 4513 96.05572 6069758.0 |
4514 102.03746 367626.0 | 4514 102.03746 367626.0 |
4515 110.04619 4165152.0 | 4515 110.04619 4165152.0 |
4516 110.0716 444450.0 | 4516 110.0716 444450.0 |
4517 113.0825 1093208.0 | 4517 113.0825 1093208.0 |
4518 116.0279 11189147.0 | 4518 116.0279 11189147.0 |
4519 138.07761 4951850.0 | 4519 138.07761 4951850.0 |
4520 144.05917 3781341.0 | 4520 144.05917 3781341.0 |
4521 158.04646 408855.0 | 4521 158.04646 408855.0 |
4522 158.04967 34215304.0 | 4522 158.04967 34215304.0 |
4523 173.50693 425480.0 | 4523 173.50693 425480.0 |
4524 186.08095 16656961.0 | 4524 186.08095 16656961.0 |
4525 200.09659 2036050.0 | 4525 200.09659 2036050.0 |
4526 | 4526 |
4527 COMPOUND_NAME: Thiabendazole | |
4527 SCANNUMBER: 1232 | 4528 SCANNUMBER: 1232 |
4528 IONMODE: positive | 4529 IONMODE: positive |
4529 SPECTRUMTYPE: Centroid | 4530 SPECTRUMTYPE: Centroid |
4530 FORMULA: C10H7N3S | 4531 FORMULA: C10H7N3S |
4531 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N | 4532 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N |
4532 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2 | 4533 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2 |
4533 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4534 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4534 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4535 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4535 IONIZATION: ESI+ | 4536 IONIZATION: ESI+ |
4536 LICENSE: CC BY-NC | 4537 LICENSE: CC BY-NC |
4537 COMPOUND_NAME: Thiabendazole | |
4538 RETENTION_TIME: 2.44406 | 4538 RETENTION_TIME: 2.44406 |
4539 PRECURSOR_MZ: 202.0437 | 4539 PRECURSOR_MZ: 202.0437 |
4540 ADDUCT: [M+H]+ | 4540 ADDUCT: [M+H]+ |
4541 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4541 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4542 NUM PEAKS: 7 | 4542 NUM PEAKS: 7 |
4543 92.0498 482307.0 | 4543 92.0498 482307.0 |
4544 131.06062 3699935.0 | 4544 131.06062 3699935.0 |
4545 143.06068 408061.0 | 4545 143.06068 408061.0 |
4546 158.07153 301732.0 | 4546 158.07153 301732.0 |
4547 170.07179 139529.0 | 4547 170.07179 139529.0 |
4548 175.03255 9873992.0 | 4548 175.03255 9873992.0 |
4549 202.04396 3731232.0 | 4549 202.04396 3731232.0 |
4550 | 4550 |
4551 COMPOUND_NAME: Thiacloprid | |
4551 SCANNUMBER: 1685 | 4552 SCANNUMBER: 1685 |
4552 IONMODE: positive | 4553 IONMODE: positive |
4553 SPECTRUMTYPE: Centroid | 4554 SPECTRUMTYPE: Centroid |
4554 FORMULA: C10H9N4ClS | 4555 FORMULA: C10H9N4ClS |
4555 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N | 4556 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N |
4556 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl | 4557 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl |
4557 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4558 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4558 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4559 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4559 IONIZATION: ESI+ | 4560 IONIZATION: ESI+ |
4560 LICENSE: CC BY-NC | 4561 LICENSE: CC BY-NC |
4561 COMPOUND_NAME: Thiacloprid | |
4562 RETENTION_TIME: 4.159843 | 4562 RETENTION_TIME: 4.159843 |
4563 PRECURSOR_MZ: 253.0315 | 4563 PRECURSOR_MZ: 253.0315 |
4564 ADDUCT: [M+H]+ | 4564 ADDUCT: [M+H]+ |
4565 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4565 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4566 NUM PEAKS: 6 | 4566 NUM PEAKS: 6 |
4567 90.03403 1177314.0 | 4567 90.03403 1177314.0 |
4568 91.04182 256154.0 | 4568 91.04182 256154.0 |
4569 98.99973 1052050.0 | 4569 98.99973 1052050.0 |
4570 108.0446 146293.0 | 4570 108.0446 146293.0 |
4571 126.01085 11655971.0 | 4571 126.01085 11655971.0 |
4572 144.02113 633179.0 | 4572 144.02113 633179.0 |
4573 | 4573 |
4574 COMPOUND_NAME: Thiamethoxam | |
4574 SCANNUMBER: 1108 | 4575 SCANNUMBER: 1108 |
4575 IONMODE: positive | 4576 IONMODE: positive |
4576 SPECTRUMTYPE: Centroid | 4577 SPECTRUMTYPE: Centroid |
4577 FORMULA: C8H10N5O3ClS | 4578 FORMULA: C8H10N5O3ClS |
4578 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N | 4579 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N |
4579 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl | 4580 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl |
4580 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4581 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4581 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4582 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4582 IONIZATION: ESI+ | 4583 IONIZATION: ESI+ |
4583 LICENSE: CC BY-NC | 4584 LICENSE: CC BY-NC |
4584 COMPOUND_NAME: Thiamethoxam | |
4585 RETENTION_TIME: 2.35524 | 4585 RETENTION_TIME: 2.35524 |
4586 PRECURSOR_MZ: 292.0273 | 4586 PRECURSOR_MZ: 292.0273 |
4587 ADDUCT: [M+H]+ | 4587 ADDUCT: [M+H]+ |
4588 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4588 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4589 NUM PEAKS: 10 | 4589 NUM PEAKS: 10 |
4590 131.96729 856494.0 | 4590 131.96729 856494.0 |
4591 174.9729 61417.0 | 4591 174.9729 61417.0 |
4592 180.04681 65222.0 | 4592 180.04681 65222.0 |
4593 181.0547 129376.0 | 4593 181.0547 129376.0 |
4594 210.05699 499700.0 | 4594 210.05699 499700.0 |
4595 211.06477 3262623.0 | 4595 211.06477 3262623.0 |
4596 245.02655 33196.0 | 4596 245.02655 33196.0 |
4597 246.0343 359117.0 | 4597 246.0343 359117.0 |
4598 248.02554 112237.0 | 4598 248.02554 112237.0 |
4599 292.02722 584625.0 | 4599 292.02722 584625.0 |
4600 | 4600 |
4601 COMPOUND_NAME: Tricyclazole | |
4601 SCANNUMBER: 2638 | 4602 SCANNUMBER: 2638 |
4602 IONMODE: positive | 4603 IONMODE: positive |
4603 SPECTRUMTYPE: Centroid | 4604 SPECTRUMTYPE: Centroid |
4604 FORMULA: C9H7N3S | 4605 FORMULA: C9H7N3S |
4605 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N | 4606 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N |
4606 SMILES: Cc1cccc2c1n1cnnc1s2 | 4607 SMILES: Cc1cccc2c1n1cnnc1s2 |
4607 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4608 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4608 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4609 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4609 IONIZATION: ESI+ | 4610 IONIZATION: ESI+ |
4610 LICENSE: CC BY-NC | 4611 LICENSE: CC BY-NC |
4611 COMPOUND_NAME: Tricyclazole | |
4612 RETENTION_TIME: 5.514598 | 4612 RETENTION_TIME: 5.514598 |
4613 PRECURSOR_MZ: 190.0439 | 4613 PRECURSOR_MZ: 190.0439 |
4614 ADDUCT: [M+H]+ | 4614 ADDUCT: [M+H]+ |
4615 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4615 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4616 NUM PEAKS: 10 | 4616 NUM PEAKS: 10 |
4617 92.0498 1103195.0 | 4617 92.0498 1103195.0 |
4618 109.01101 3220386.0 | 4618 109.01101 3220386.0 |
4619 119.06059 619856.0 | 4619 119.06059 619856.0 |
4620 127.02138 192273.0 | 4620 127.02138 192273.0 |
4621 129.04501 178061.0 | 4621 129.04501 178061.0 |
4622 130.04021 316945.0 | 4622 130.04021 316945.0 |
4623 136.02161 16492967.0 | 4623 136.02161 16492967.0 |
4624 137.01691 212259.0 | 4624 137.01691 212259.0 |
4625 163.03258 14491751.0 | 4625 163.03258 14491751.0 |
4626 190.04391 4390148.0 | 4626 190.04391 4390148.0 |
4627 | 4627 |
4628 COMPOUND_NAME: Fenarimol | |
4628 SCANNUMBER: 2801 | 4629 SCANNUMBER: 2801 |
4629 IONMODE: positive | 4630 IONMODE: positive |
4630 SPECTRUMTYPE: Centroid | 4631 SPECTRUMTYPE: Centroid |
4631 FORMULA: C17H12N2OCl2 | 4632 FORMULA: C17H12N2OCl2 |
4632 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N | 4633 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N |
4633 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O | 4634 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O |
4634 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4635 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4635 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4636 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4636 IONIZATION: ESI+ | 4637 IONIZATION: ESI+ |
4637 LICENSE: CC BY-NC | 4638 LICENSE: CC BY-NC |
4638 COMPOUND_NAME: Fenarimol | |
4639 RETENTION_TIME: 6.876775 | 4639 RETENTION_TIME: 6.876775 |
4640 PRECURSOR_MZ: 331.0412 | 4640 PRECURSOR_MZ: 331.0412 |
4641 ADDUCT: [M+H]+ | 4641 ADDUCT: [M+H]+ |
4642 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4642 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4643 NUM PEAKS: 60 | 4643 NUM PEAKS: 60 |
4644 129.01041 62692.0 | 4644 129.01041 62692.0 |
4645 138.99483 4713270.0 | 4645 138.99483 4713270.0 |
4646 139.00581 348352.0 | 4646 139.00581 348352.0 |
4647 140.02657 87193.0 | 4647 140.02657 87193.0 |
4648 149.01559 101793.0 | 4648 149.01559 101793.0 |
4649 156.06877 160067.0 | 4649 156.06877 160067.0 |
4650 157.07619 145321.0 | 4650 157.07619 145321.0 |
4651 160.97346 447898.0 | 4651 160.97346 447898.0 |
4652 161.97681 363570.0 | 4652 161.97681 363570.0 |
4653 164.0265 120667.0 | 4653 164.0265 120667.0 |
4654 165.07053 109460.0 | 4654 165.07053 109460.0 |
4655 178.07843 118150.0 | 4655 178.07843 118150.0 |
4656 183.0555 74353.0 | 4656 183.0555 74353.0 |
4657 184.06332 56066.0 | 4657 184.06332 56066.0 |
4658 185.07138 63091.0 | 4658 185.07138 63091.0 |
4659 189.07033 2498508.0 | 4659 189.07033 2498508.0 |
4660 192.02161 92048.0 | 4660 192.02161 92048.0 |
4661 192.04518 47251.0 | 4661 192.04518 47251.0 |
4662 199.0313 150848.0 | 4662 199.0313 150848.0 |
4663 200.03886 96007.0 | 4663 200.03886 96007.0 |
4664 203.07297 92058.0 | 4664 203.07297 92058.0 |
4665 204.08092 678200.0 | 4665 204.08092 678200.0 |
4666 205.06487 253030.0 | 4666 205.06487 253030.0 |
4667 205.08929 197254.0 | 4667 205.08929 197254.0 |
4668 206.07339 64967.0 | 4668 206.07339 64967.0 |
4669 212.03918 81877.0 | 4669 212.03918 81877.0 |
4670 216.08105 187436.0 | 4670 216.08105 187436.0 |
4671 217.06558 157687.0 | 4671 217.06558 157687.0 |
4672 219.0323 135275.0 | 4672 219.0323 135275.0 |
4673 220.0406 48463.0 | 4673 220.0406 48463.0 |
4674 223.03162 1274143.0 | 4674 223.03162 1274143.0 |
4675 224.03886 340107.0 | 4675 224.03886 340107.0 |
4676 225.04663 54849.0 | 4676 225.04663 54849.0 |
4677 231.0923 53552.0 | 4677 231.0923 53552.0 |
4678 232.07594 380360.0 | 4678 232.07594 380360.0 |
4679 232.09967 52199.0 | 4679 232.09967 52199.0 |
4680 232.99239 244669.0 | 4680 232.99239 244669.0 |
4681 233.08405 997290.0 | 4681 233.08405 997290.0 |
4682 235.00783 124586.0 | 4682 235.00783 124586.0 |
4683 238.04195 729158.0 | 4683 238.04195 729158.0 |
4684 240.05751 690775.0 | 4684 240.05751 690775.0 |
4685 241.04176 517674.0 | 4685 241.04176 517674.0 |
4686 241.06586 115853.0 | 4686 241.06586 115853.0 |
4687 242.08463 143951.0 | 4687 242.08463 143951.0 |
4688 243.09258 198185.0 | 4688 243.09258 198185.0 |
4689 250.04214 378960.0 | 4689 250.04214 378960.0 |
4690 251.0031 434485.0 | 4690 251.0031 434485.0 |
4691 251.02657 76166.0 | 4691 251.02657 76166.0 |
4692 251.05006 585923.0 | 4692 251.05006 585923.0 |
4693 252.03401 1565574.0 | 4693 252.03401 1565574.0 |
4694 259.00827 2379846.0 | 4694 259.00827 2379846.0 |
4695 259.08661 47950.0 | 4695 259.08661 47950.0 |
4696 266.03717 318342.0 | 4696 266.03717 318342.0 |
4697 267.04504 216878.0 | 4697 267.04504 216878.0 |
4698 267.06848 215642.0 | 4698 267.06848 215642.0 |
4699 268.05276 3869425.0 | 4699 268.05276 3869425.0 |
4700 276.03445 91579.0 | 4700 276.03445 91579.0 |
4701 277.0527 143152.0 | 4701 277.0527 143152.0 |
4702 278.06161 515869.0 | 4702 278.06161 515869.0 |
4703 279.06857 114232.0 | 4703 279.06857 114232.0 |
4704 | 4704 |
4705 COMPOUND_NAME: Fenbuconazole | |
4705 SCANNUMBER: 3202 | 4706 SCANNUMBER: 3202 |
4706 IONMODE: positive | 4707 IONMODE: positive |
4707 SPECTRUMTYPE: Centroid | 4708 SPECTRUMTYPE: Centroid |
4708 FORMULA: C19H17N4Cl | 4709 FORMULA: C19H17N4Cl |
4709 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N | 4710 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N |
4710 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl | 4711 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl |
4711 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4712 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4712 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4713 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4713 IONIZATION: ESI+ | 4714 IONIZATION: ESI+ |
4714 LICENSE: CC BY-NC | 4715 LICENSE: CC BY-NC |
4715 COMPOUND_NAME: Fenbuconazole | |
4716 RETENTION_TIME: 7.045859 | 4716 RETENTION_TIME: 7.045859 |
4717 PRECURSOR_MZ: 337.1223 | 4717 PRECURSOR_MZ: 337.1223 |
4718 ADDUCT: [M+H]+ | 4718 ADDUCT: [M+H]+ |
4719 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4719 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4720 NUM PEAKS: 9 | 4720 NUM PEAKS: 9 |
4721 89.03882 491858.0 | 4721 89.03882 491858.0 |
4722 91.05441 1708709.0 | 4722 91.05441 1708709.0 |
4723 103.05439 763259.0 | 4723 103.05439 763259.0 |
4724 125.01532 31583906.0 | 4724 125.01532 31583906.0 |
4725 128.062 614101.0 | 4725 128.062 614101.0 |
4726 129.07021 1018109.0 | 4726 129.07021 1018109.0 |
4727 139.0309 716816.0 | 4727 139.0309 716816.0 |
4728 155.06064 335216.0 | 4728 155.06064 335216.0 |
4729 163.0309 736285.0 | 4729 163.0309 736285.0 |
4730 | 4730 |
4731 COMPOUND_NAME: Fluquinconazole | |
4731 SCANNUMBER: 3422 | 4732 SCANNUMBER: 3422 |
4732 IONMODE: positive | 4733 IONMODE: positive |
4733 SPECTRUMTYPE: Centroid | 4734 SPECTRUMTYPE: Centroid |
4734 FORMULA: C16H8N5OCl2F | 4735 FORMULA: C16H8N5OCl2F |
4735 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N | 4736 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N |
4736 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1 | 4737 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1 |
4737 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4738 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4738 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4739 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4739 IONIZATION: ESI+ | 4740 IONIZATION: ESI+ |
4740 LICENSE: CC BY-NC | 4741 LICENSE: CC BY-NC |
4741 COMPOUND_NAME: Fluquinconazole | |
4742 RETENTION_TIME: 7.093534 | 4742 RETENTION_TIME: 7.093534 |
4743 PRECURSOR_MZ: 376.0173 | 4743 PRECURSOR_MZ: 376.0173 |
4744 ADDUCT: [M+H]+ | 4744 ADDUCT: [M+H]+ |
4745 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4745 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4746 NUM PEAKS: 22 | 4746 NUM PEAKS: 22 |
4747 108.02471 848273.0 | 4747 108.02471 848273.0 |
4748 123.99523 983397.0 | 4748 123.99523 983397.0 |
4749 126.03514 85852.0 | 4749 126.03514 85852.0 |
4750 158.97679 294325.0 | 4750 158.97679 294325.0 |
4751 163.03033 1264696.0 | 4751 163.03033 1264696.0 |
4752 181.04097 120423.0 | 4752 181.04097 120423.0 |
4753 195.05714 105799.0 | 4753 195.05714 105799.0 |
4754 243.01224 134077.0 | 4754 243.01224 134077.0 |
4755 244.01985 783328.0 | 4755 244.01985 783328.0 |
4756 251.97818 94741.0 | 4756 251.97818 94741.0 |
4757 272.01474 3792436.0 | 4757 272.01474 3792436.0 |
4758 278.98978 1325774.0 | 4758 278.98978 1325774.0 |
4759 279.97287 100928.0 | 4759 279.97287 100928.0 |
4760 287.02576 171499.0 | 4760 287.02576 171499.0 |
4761 306.98392 7738432.0 | 4761 306.98392 7738432.0 |
4762 313.02911 148350.0 | 4762 313.02911 148350.0 |
4763 314.03632 96754.0 | 4763 314.03632 96754.0 |
4764 324.99539 291864.0 | 4764 324.99539 291864.0 |
4765 331.97888 91552.0 | 4765 331.97888 91552.0 |
4766 339.01056 449848.0 | 4766 339.01056 449848.0 |
4767 349.00613 731296.0 | 4767 349.00613 731296.0 |
4768 349.98984 271485.0 | 4768 349.98984 271485.0 |
4769 | 4769 |
4770 COMPOUND_NAME: Flutriafol | |
4770 SCANNUMBER: 1408 | 4771 SCANNUMBER: 1408 |
4771 IONMODE: positive | 4772 IONMODE: positive |
4772 SPECTRUMTYPE: Centroid | 4773 SPECTRUMTYPE: Centroid |
4773 FORMULA: C16H13N3OF2 | 4774 FORMULA: C16H13N3OF2 |
4774 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N | 4775 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N |
4775 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O | 4776 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O |
4776 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4777 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4777 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4778 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4778 IONIZATION: ESI+ | 4779 IONIZATION: ESI+ |
4779 LICENSE: CC BY-NC | 4780 LICENSE: CC BY-NC |
4780 COMPOUND_NAME: Flutriafol | |
4781 RETENTION_TIME: 5.240544 | 4781 RETENTION_TIME: 5.240544 |
4782 PRECURSOR_MZ: 302.1111 | 4782 PRECURSOR_MZ: 302.1111 |
4783 ADDUCT: [M+H]+ | 4783 ADDUCT: [M+H]+ |
4784 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4784 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4785 NUM PEAKS: 11 | 4785 NUM PEAKS: 11 |
4786 109.04492 5549990.0 | 4786 109.04492 5549990.0 |
4787 113.03991 603136.0 | 4787 113.03991 603136.0 |
4788 123.02199 197823.0 | 4788 123.02199 197823.0 |
4789 123.02419 14667272.0 | 4789 123.02419 14667272.0 |
4790 123.03517 2231147.0 | 4790 123.03517 2231147.0 |
4791 137.03973 187845.0 | 4791 137.03973 187845.0 |
4792 165.06996 216662.0 | 4792 165.06996 216662.0 |
4793 194.05283 196543.0 | 4793 194.05283 196543.0 |
4794 195.06081 577107.0 | 4794 195.06081 577107.0 |
4795 214.05884 311976.0 | 4795 214.05884 311976.0 |
4796 215.0668 353163.0 | 4796 215.0668 353163.0 |
4797 | 4797 |
4798 COMPOUND_NAME: Fuberidazole | |
4798 SCANNUMBER: 1202 | 4799 SCANNUMBER: 1202 |
4799 IONMODE: positive | 4800 IONMODE: positive |
4800 SPECTRUMTYPE: Centroid | 4801 SPECTRUMTYPE: Centroid |
4801 FORMULA: C11H8N2O | 4802 FORMULA: C11H8N2O |
4802 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N | 4803 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N |
4803 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2 | 4804 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2 |
4804 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4805 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4805 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4806 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4806 IONIZATION: ESI+ | 4807 IONIZATION: ESI+ |
4807 LICENSE: CC BY-NC | 4808 LICENSE: CC BY-NC |
4808 COMPOUND_NAME: Fuberidazole | |
4809 RETENTION_TIME: 2.456748 | 4809 RETENTION_TIME: 2.456748 |
4810 PRECURSOR_MZ: 185.0715 | 4810 PRECURSOR_MZ: 185.0715 |
4811 ADDUCT: [M+H]+ | 4811 ADDUCT: [M+H]+ |
4812 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4812 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4813 NUM PEAKS: 15 | 4813 NUM PEAKS: 15 |
4814 92.0498 2714348.0 | 4814 92.0498 2714348.0 |
4815 103.05439 924742.0 | 4815 103.05439 924742.0 |
4816 118.05279 1356359.0 | 4816 118.05279 1356359.0 |
4817 119.06059 1561269.0 | 4817 119.06059 1561269.0 |
4818 128.04956 416024.0 | 4818 128.04956 416024.0 |
4819 129.04501 934098.0 | 4819 129.04501 934098.0 |
4820 129.05762 1711080.0 | 4820 129.05762 1711080.0 |
4821 130.06528 5627980.0 | 4821 130.06528 5627980.0 |
4822 131.06062 2006719.0 | 4822 131.06062 2006719.0 |
4823 142.05298 1703655.0 | 4823 142.05298 1703655.0 |
4824 143.06068 769483.0 | 4824 143.06068 769483.0 |
4825 155.06064 2222038.0 | 4825 155.06064 2222038.0 |
4826 156.06877 35950644.0 | 4826 156.06877 35950644.0 |
4827 157.07619 39653584.0 | 4827 157.07619 39653584.0 |
4828 185.0714 6790632.0 | 4828 185.0714 6790632.0 |
4829 | 4829 |
4830 COMPOUND_NAME: Cyproconazole_1 | |
4830 SCANNUMBER: 1619 | 4831 SCANNUMBER: 1619 |
4831 IONMODE: positive | 4832 IONMODE: positive |
4832 SPECTRUMTYPE: Centroid | 4833 SPECTRUMTYPE: Centroid |
4833 FORMULA: C15H18N3OCl | 4834 FORMULA: C15H18N3OCl |
4834 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N | 4835 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N |
4835 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 | 4836 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 |
4836 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4837 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4837 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4838 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4838 IONIZATION: ESI+ | 4839 IONIZATION: ESI+ |
4839 LICENSE: CC BY-NC | 4840 LICENSE: CC BY-NC |
4840 COMPOUND_NAME: Cyproconazole_1 | |
4841 RETENTION_TIME: 6.138374 | 4841 RETENTION_TIME: 6.138374 |
4842 PRECURSOR_MZ: 292.122 | 4842 PRECURSOR_MZ: 292.122 |
4843 ADDUCT: [M+H]+ | 4843 ADDUCT: [M+H]+ |
4844 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4844 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4845 NUM PEAKS: 4 | 4845 NUM PEAKS: 4 |
4846 89.03882 111896.0 | 4846 89.03882 111896.0 |
4847 125.01532 6537308.0 | 4847 125.01532 6537308.0 |
4848 138.99483 329090.0 | 4848 138.99483 329090.0 |
4849 139.00581 166501.0 | 4849 139.00581 166501.0 |
4850 | 4850 |
4851 COMPOUND_NAME: Cyproconazole_2 | |
4851 SCANNUMBER: 1786 | 4852 SCANNUMBER: 1786 |
4852 IONMODE: positive | 4853 IONMODE: positive |
4853 SPECTRUMTYPE: Centroid | 4854 SPECTRUMTYPE: Centroid |
4854 FORMULA: C15H18N3OCl | 4855 FORMULA: C15H18N3OCl |
4855 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N | 4856 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N |
4856 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 | 4857 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 |
4857 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4858 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4858 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4859 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4859 IONIZATION: ESI+ | 4860 IONIZATION: ESI+ |
4860 LICENSE: CC BY-NC | 4861 LICENSE: CC BY-NC |
4861 COMPOUND_NAME: Cyproconazole_2 | |
4862 RETENTION_TIME: 6.36811 | 4862 RETENTION_TIME: 6.36811 |
4863 PRECURSOR_MZ: 292.1225 | 4863 PRECURSOR_MZ: 292.1225 |
4864 ADDUCT: [M+H]+ | 4864 ADDUCT: [M+H]+ |
4865 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4865 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4866 NUM PEAKS: 4 | 4866 NUM PEAKS: 4 |
4867 89.03882 144933.0 | 4867 89.03882 144933.0 |
4868 125.01532 8553550.0 | 4868 125.01532 8553550.0 |
4869 138.99483 403028.0 | 4869 138.99483 403028.0 |
4870 139.00581 198856.0 | 4870 139.00581 198856.0 |
4871 | 4871 |
4872 COMPOUND_NAME: Diclobutrazol | |
4872 SCANNUMBER: 2657 | 4873 SCANNUMBER: 2657 |
4873 IONMODE: positive | 4874 IONMODE: positive |
4874 SPECTRUMTYPE: Centroid | 4875 SPECTRUMTYPE: Centroid |
4875 FORMULA: C15H19N3OCl2 | 4876 FORMULA: C15H19N3OCl2 |
4876 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N | 4877 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N |
4877 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1 | 4878 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1 |
4878 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4879 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4879 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4880 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4880 IONIZATION: ESI+ | 4881 IONIZATION: ESI+ |
4881 LICENSE: CC BY-NC | 4882 LICENSE: CC BY-NC |
4882 COMPOUND_NAME: Diclobutrazol | |
4883 RETENTION_TIME: 6.830443 | 4883 RETENTION_TIME: 6.830443 |
4884 PRECURSOR_MZ: 328.0983 | 4884 PRECURSOR_MZ: 328.0983 |
4885 ADDUCT: [M+H]+ | 4885 ADDUCT: [M+H]+ |
4886 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4886 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4887 NUM PEAKS: 11 | 4887 NUM PEAKS: 11 |
4888 122.99965 485826.0 | 4888 122.99965 485826.0 |
4889 125.01532 529574.0 | 4889 125.01532 529574.0 |
4890 137.01562 496542.0 | 4890 137.01562 496542.0 |
4891 158.97626 45675696.0 | 4891 158.97626 45675696.0 |
4892 164.03891 599051.0 | 4892 164.03891 599051.0 |
4893 172.9556 1689517.0 | 4893 172.9556 1689517.0 |
4894 172.99223 1044544.0 | 4894 172.99223 1044544.0 |
4895 174.97104 486149.0 | 4895 174.97104 486149.0 |
4896 186.97108 498843.0 | 4896 186.97108 498843.0 |
4897 190.96622 746907.0 | 4897 190.96622 746907.0 |
4898 199.00793 579087.0 | 4898 199.00793 579087.0 |
4899 | 4899 |
4900 COMPOUND_NAME: Difenoconazole | |
4900 SCANNUMBER: 4342 | 4901 SCANNUMBER: 4342 |
4901 IONMODE: positive | 4902 IONMODE: positive |
4902 SPECTRUMTYPE: Centroid | 4903 SPECTRUMTYPE: Centroid |
4903 FORMULA: C19H17N3O3Cl2 | 4904 FORMULA: C19H17N3O3Cl2 |
4904 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N | 4905 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N |
4905 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl | 4906 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl |
4906 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4907 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4907 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4908 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4908 IONIZATION: ESI+ | 4909 IONIZATION: ESI+ |
4909 LICENSE: CC BY-NC | 4910 LICENSE: CC BY-NC |
4910 COMPOUND_NAME: Difenoconazole | |
4911 RETENTION_TIME: 7.351549 | 4911 RETENTION_TIME: 7.351549 |
4912 PRECURSOR_MZ: 406.0727 | 4912 PRECURSOR_MZ: 406.0727 |
4913 ADDUCT: [M+H]+ | 4913 ADDUCT: [M+H]+ |
4914 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4914 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4915 NUM PEAKS: 13 | 4915 NUM PEAKS: 13 |
4916 129.07021 341601.0 | 4916 129.07021 341601.0 |
4917 139.00626 338485.0 | 4917 139.00626 338485.0 |
4918 141.01048 334473.0 | 4918 141.01048 334473.0 |
4919 152.06247 924840.0 | 4919 152.06247 924840.0 |
4920 153.07042 500230.0 | 4920 153.07042 500230.0 |
4921 181.06517 598188.0 | 4921 181.06517 598188.0 |
4922 187.03149 1315167.0 | 4922 187.03149 1315167.0 |
4923 188.03915 3752594.0 | 4923 188.03915 3752594.0 |
4924 215.02702 454036.0 | 4924 215.02702 454036.0 |
4925 216.03418 363614.0 | 4925 216.03418 363614.0 |
4926 223.00838 2665156.0 | 4926 223.00838 2665156.0 |
4927 251.0031 32513990.0 | 4927 251.0031 32513990.0 |
4928 264.98291 3756956.0 | 4928 264.98291 3756956.0 |
4929 | 4929 |
4930 COMPOUND_NAME: Diniconazole | |
4930 SCANNUMBER: 3119 | 4931 SCANNUMBER: 3119 |
4931 IONMODE: positive | 4932 IONMODE: positive |
4932 SPECTRUMTYPE: Centroid | 4933 SPECTRUMTYPE: Centroid |
4933 FORMULA: C15H17N3OCl2 | 4934 FORMULA: C15H17N3OCl2 |
4934 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N | 4935 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N |
4935 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1 | 4936 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1 |
4936 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 4937 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
4937 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 4938 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
4938 IONIZATION: ESI+ | 4939 IONIZATION: ESI+ |
4939 LICENSE: CC BY-NC | 4940 LICENSE: CC BY-NC |
4940 COMPOUND_NAME: Diniconazole | |
4941 RETENTION_TIME: 6.999194 | 4941 RETENTION_TIME: 6.999194 |
4942 PRECURSOR_MZ: 326.0832 | 4942 PRECURSOR_MZ: 326.0832 |
4943 ADDUCT: [M+H]+ | 4943 ADDUCT: [M+H]+ |
4944 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 4944 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
4945 NUM PEAKS: 52 | 4945 NUM PEAKS: 52 |
4946 87.0807 115189.0 | 4946 87.0807 115189.0 |
4947 110.0716 52760.0 | 4947 110.0716 52760.0 |
4948 123.00002 65949.0 | 4948 123.00002 65949.0 |
4949 136.00755 116731.0 | 4949 136.00755 116731.0 |
4950 137.01562 125799.0 | 4950 137.01562 125799.0 |
4951 141.07028 87788.0 | 4951 141.07028 87788.0 |
4952 143.08594 53581.0 | 4952 143.08594 53581.0 |
4953 145.0649 52799.0 | 4953 145.0649 52799.0 |
4954 148.08749 54447.0 | 4954 148.08749 54447.0 |
4955 150.02344 61653.0 | 4955 150.02344 61653.0 |
4956 153.07042 57255.0 | 4956 153.07042 57255.0 |
4957 154.07816 75541.0 | 4957 154.07816 75541.0 |
4958 158.97679 4013011.0 | 4958 158.97679 4013011.0 |
4959 162.0233 223821.0 | 4959 162.0233 223821.0 |
4960 164.03891 43958.0 | 4960 164.03891 43958.0 |
4961 165.01022 141964.0 | 4961 165.01022 141964.0 |
4962 166.0183 79777.0 | 4962 166.0183 79777.0 |
4963 169.10155 324107.0 | 4963 169.10155 324107.0 |
4964 170.97658 348553.0 | 4964 170.97658 348553.0 |
4965 172.95621 929271.0 | 4965 172.95621 929271.0 |
4966 172.96719 160833.0 | 4966 172.96719 160833.0 |
4967 172.99223 196389.0 | 4967 172.99223 196389.0 |
4968 175.0313 83110.0 | 4968 175.0313 83110.0 |
4969 176.03931 389366.0 | 4969 176.03931 389366.0 |
4970 179.02609 125863.0 | 4970 179.02609 125863.0 |
4971 180.03384 98155.0 | 4971 180.03384 98155.0 |
4972 182.07175 55824.0 | 4972 182.07175 55824.0 |
4973 182.97643 126111.0 | 4973 182.97643 126111.0 |
4974 184.99236 46623.0 | 4974 184.99236 46623.0 |
4975 185.98766 43685.0 | 4975 185.98766 43685.0 |
4976 189.0215 81465.0 | 4976 189.0215 81465.0 |
4977 189.04662 463062.0 | 4977 189.04662 463062.0 |
4978 190.02985 105876.0 | 4978 190.02985 105876.0 |
4979 191.02502 124599.0 | 4979 191.02502 124599.0 |
4980 193.04185 237565.0 | 4980 193.04185 237565.0 |
4981 196.99208 133380.0 | 4981 196.99208 133380.0 |
4982 203.03725 47288.0 | 4982 203.03725 47288.0 |
4983 203.06287 40626.0 | 4983 203.06287 40626.0 |
4984 204.07076 337511.0 | 4984 204.07076 337511.0 |
4985 205.01678 42726.0 | 4985 205.01678 42726.0 |
4986 207.0574 131489.0 | 4986 207.0574 131489.0 |
4987 209.9998 62865.0 | 4987 209.9998 62865.0 |
4988 216.03247 187324.0 | 4988 216.03247 187324.0 |
4989 217.0407 287524.0 | 4989 217.0407 287524.0 |
4990 224.01547 69804.0 | 4990 224.01547 69804.0 |
4991 230.04839 54464.0 | 4991 230.04839 54464.0 |
4992 234.04297 67828.0 | 4992 234.04297 67828.0 |
4993 240.0096 86885.0 | 4993 240.0096 86885.0 |
4994 252.00932 126391.0 | 4994 252.00932 126391.0 |
4995 264.0097 43206.0 | 4995 264.0097 43206.0 |
4996 270.01987 48934.0 | 4996 270.01987 48934.0 |
4997 278.02554 102202.0 | 4997 278.02554 102202.0 |
4998 | 4998 |
4999 COMPOUND_NAME: Epoxiconazole | |
4999 SCANNUMBER: 3124 | 5000 SCANNUMBER: 3124 |
5000 IONMODE: positive | 5001 IONMODE: positive |
5001 SPECTRUMTYPE: Centroid | 5002 SPECTRUMTYPE: Centroid |
5002 FORMULA: C17H13N3OClF | 5003 FORMULA: C17H13N3OClF |
5003 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N | 5004 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N |
5004 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl | 5005 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl |
5005 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5006 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5006 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5007 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5007 IONIZATION: ESI+ | 5008 IONIZATION: ESI+ |
5008 LICENSE: CC BY-NC | 5009 LICENSE: CC BY-NC |
5009 COMPOUND_NAME: Epoxiconazole | |
5010 RETENTION_TIME: 6.999194 | 5010 RETENTION_TIME: 6.999194 |
5011 PRECURSOR_MZ: 330.0806 | 5011 PRECURSOR_MZ: 330.0806 |
5012 ADDUCT: [M+H]+ | 5012 ADDUCT: [M+H]+ |
5013 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5013 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5014 NUM PEAKS: 12 | 5014 NUM PEAKS: 12 |
5015 91.05464 783917.0 | 5015 91.05464 783917.0 |
5016 101.03878 454726.0 | 5016 101.03878 454726.0 |
5017 113.01572 623551.0 | 5017 113.01572 623551.0 |
5018 113.04023 604178.0 | 5018 113.04023 604178.0 |
5019 119.04978 1591248.0 | 5019 119.04978 1591248.0 |
5020 121.04307 362239.0 | 5020 121.04307 362239.0 |
5021 121.04521 27069946.0 | 5021 121.04521 27069946.0 |
5022 123.02455 5942544.0 | 5022 123.02455 5942544.0 |
5023 123.03517 2030362.0 | 5023 123.03517 2030362.0 |
5024 129.04501 7068444.0 | 5024 129.04501 7068444.0 |
5025 138.99483 468356.0 | 5025 138.99483 468356.0 |
5026 141.01048 1219612.0 | 5026 141.01048 1219612.0 |
5027 | 5027 |
5028 COMPOUND_NAME: Etaconazole | |
5028 SCANNUMBER: 2581 | 5029 SCANNUMBER: 2581 |
5029 IONMODE: positive | 5030 IONMODE: positive |
5030 SPECTRUMTYPE: Centroid | 5031 SPECTRUMTYPE: Centroid |
5031 FORMULA: C14H15N3O2Cl2 | 5032 FORMULA: C14H15N3O2Cl2 |
5032 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N | 5033 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N |
5033 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl | 5034 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl |
5034 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5035 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5035 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5036 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5036 IONIZATION: ESI+ | 5037 IONIZATION: ESI+ |
5037 LICENSE: CC BY-NC | 5038 LICENSE: CC BY-NC |
5038 COMPOUND_NAME: Etaconazole | |
5039 RETENTION_TIME: 6.802904 | 5039 RETENTION_TIME: 6.802904 |
5040 PRECURSOR_MZ: 328.0626 | 5040 PRECURSOR_MZ: 328.0626 |
5041 ADDUCT: [M+H]+ | 5041 ADDUCT: [M+H]+ |
5042 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5042 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5043 NUM PEAKS: 10 | 5043 NUM PEAKS: 10 |
5044 122.99965 480348.0 | 5044 122.99965 480348.0 |
5045 125.01532 599928.0 | 5045 125.01532 599928.0 |
5046 137.01562 455760.0 | 5046 137.01562 455760.0 |
5047 158.97626 39434140.0 | 5047 158.97626 39434140.0 |
5048 164.03891 610435.0 | 5048 164.03891 610435.0 |
5049 172.9556 1469728.0 | 5049 172.9556 1469728.0 |
5050 172.99223 970218.0 | 5050 172.99223 970218.0 |
5051 174.97166 597883.0 | 5051 174.97166 597883.0 |
5052 190.96622 527039.0 | 5052 190.96622 527039.0 |
5053 199.00793 567443.0 | 5053 199.00793 567443.0 |
5054 | 5054 |
5055 COMPOUND_NAME: Ethirimol | |
5055 SCANNUMBER: 1043 | 5056 SCANNUMBER: 1043 |
5056 IONMODE: positive | 5057 IONMODE: positive |
5057 SPECTRUMTYPE: Centroid | 5058 SPECTRUMTYPE: Centroid |
5058 FORMULA: C11H19N3O | 5059 FORMULA: C11H19N3O |
5059 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N | 5060 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N |
5060 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C | 5061 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C |
5061 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5062 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5062 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5063 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5063 IONIZATION: ESI+ | 5064 IONIZATION: ESI+ |
5064 LICENSE: CC BY-NC | 5065 LICENSE: CC BY-NC |
5065 COMPOUND_NAME: Ethirimol | |
5066 RETENTION_TIME: 2.246086 | 5066 RETENTION_TIME: 2.246086 |
5067 PRECURSOR_MZ: 210.1608 | 5067 PRECURSOR_MZ: 210.1608 |
5068 ADDUCT: [M+H]+ | 5068 ADDUCT: [M+H]+ |
5069 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5069 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5070 NUM PEAKS: 32 | 5070 NUM PEAKS: 32 |
5071 93.07027 325229.0 | 5071 93.07027 325229.0 |
5072 95.06072 869968.0 | 5072 95.06072 869968.0 |
5073 95.08585 891568.0 | 5073 95.08585 891568.0 |
5074 96.0446 781962.0 | 5074 96.0446 781962.0 |
5075 97.03999 1008744.0 | 5075 97.03999 1008744.0 |
5076 98.06031 16588468.0 | 5076 98.06031 16588468.0 |
5077 105.07019 215544.0 | 5077 105.07019 215544.0 |
5078 107.07314 1858556.0 | 5078 107.07314 1858556.0 |
5079 109.0761 345145.0 | 5079 109.0761 345145.0 |
5080 110.06044 242964.0 | 5080 110.06044 242964.0 |
5081 110.0716 341679.0 | 5081 110.0716 341679.0 |
5082 110.09671 170712.0 | 5082 110.09671 170712.0 |
5083 111.07922 353713.0 | 5083 111.07922 353713.0 |
5084 112.11221 261603.0 | 5084 112.11221 261603.0 |
5085 114.06642 269861.0 | 5085 114.06642 269861.0 |
5086 120.081 391118.0 | 5086 120.081 391118.0 |
5087 122.07138 761007.0 | 5087 122.07138 761007.0 |
5088 122.08405 230087.0 | 5088 122.08405 230087.0 |
5089 122.09672 693029.0 | 5089 122.09672 693029.0 |
5090 123.05569 456004.0 | 5090 123.05569 456004.0 |
5091 124.06344 347297.0 | 5091 124.06344 347297.0 |
5092 138.06627 3057256.0 | 5092 138.06627 3057256.0 |
5093 139.07446 2046408.0 | 5093 139.07446 2046408.0 |
5094 140.10709 14705233.0 | 5094 140.10709 14705233.0 |
5095 150.10286 1256237.0 | 5095 150.10286 1256237.0 |
5096 152.08211 570565.0 | 5096 152.08211 570565.0 |
5097 165.10242 2897067.0 | 5097 165.10242 2897067.0 |
5098 166.09755 407251.0 | 5098 166.09755 407251.0 |
5099 167.10577 1091732.0 | 5099 167.10577 1091732.0 |
5100 182.12912 2661313.0 | 5100 182.12912 2661313.0 |
5101 193.13402 1554662.0 | 5101 193.13402 1554662.0 |
5102 210.15997 2414378.0 | 5102 210.15997 2414378.0 |
5103 | 5103 |
5104 COMPOUND_NAME: Hexaconazole | |
5104 SCANNUMBER: 2543 | 5105 SCANNUMBER: 2543 |
5105 IONMODE: positive | 5106 IONMODE: positive |
5106 SPECTRUMTYPE: Centroid | 5107 SPECTRUMTYPE: Centroid |
5107 FORMULA: C14H17N3OCl2 | 5108 FORMULA: C14H17N3OCl2 |
5108 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N | 5109 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N |
5109 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O | 5110 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O |
5110 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5111 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5111 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5112 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5112 IONIZATION: ESI+ | 5113 IONIZATION: ESI+ |
5113 LICENSE: CC BY-NC | 5114 LICENSE: CC BY-NC |
5114 COMPOUND_NAME: Hexaconazole | |
5115 RETENTION_TIME: 6.793731 | 5115 RETENTION_TIME: 6.793731 |
5116 PRECURSOR_MZ: 314.0833 | 5116 PRECURSOR_MZ: 314.0833 |
5117 ADDUCT: [M+H]+ | 5117 ADDUCT: [M+H]+ |
5118 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5118 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5119 NUM PEAKS: 16 | 5119 NUM PEAKS: 16 |
5120 115.05463 149487.0 | 5120 115.05463 149487.0 |
5121 123.00002 104704.0 | 5121 123.00002 104704.0 |
5122 125.0157 1580755.0 | 5122 125.0157 1580755.0 |
5123 129.01041 156034.0 | 5123 129.01041 156034.0 |
5124 136.00755 162737.0 | 5124 136.00755 162737.0 |
5125 139.00626 458884.0 | 5125 139.00626 458884.0 |
5126 146.97656 554008.0 | 5126 146.97656 554008.0 |
5127 149.01559 424582.0 | 5127 149.01559 424582.0 |
5128 150.02344 1003022.0 | 5128 150.02344 1003022.0 |
5129 153.01047 351412.0 | 5129 153.01047 351412.0 |
5130 158.97679 7629371.0 | 5130 158.97679 7629371.0 |
5131 170.97658 545468.0 | 5131 170.97658 545468.0 |
5132 172.99223 112377.0 | 5132 172.99223 112377.0 |
5133 174.97166 740773.0 | 5133 174.97166 740773.0 |
5134 184.99236 690533.0 | 5134 184.99236 690533.0 |
5135 188.98734 151249.0 | 5135 188.98734 151249.0 |
5136 | 5136 |
5137 COMPOUND_NAME: Ipconazole | |
5137 SCANNUMBER: 3476 | 5138 SCANNUMBER: 3476 |
5138 IONMODE: positive | 5139 IONMODE: positive |
5139 SPECTRUMTYPE: Centroid | 5140 SPECTRUMTYPE: Centroid |
5140 FORMULA: C18H24N3OCl | 5141 FORMULA: C18H24N3OCl |
5141 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N | 5142 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N |
5142 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C | 5143 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C |
5143 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5144 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5144 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5145 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5145 IONIZATION: ESI+ | 5146 IONIZATION: ESI+ |
5146 LICENSE: CC BY-NC | 5147 LICENSE: CC BY-NC |
5147 COMPOUND_NAME: Ipconazole | |
5148 RETENTION_TIME: 7.112235 | 5148 RETENTION_TIME: 7.112235 |
5149 PRECURSOR_MZ: 334.1694 | 5149 PRECURSOR_MZ: 334.1694 |
5150 ADDUCT: [M+H]+ | 5150 ADDUCT: [M+H]+ |
5151 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5151 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5152 NUM PEAKS: 18 | 5152 NUM PEAKS: 18 |
5153 89.03882 79221.0 | 5153 89.03882 79221.0 |
5154 95.08585 152078.0 | 5154 95.08585 152078.0 |
5155 109.10148 351087.0 | 5155 109.10148 351087.0 |
5156 115.05463 110112.0 | 5156 115.05463 110112.0 |
5157 116.06245 125067.0 | 5157 116.06245 125067.0 |
5158 125.01532 7756546.0 | 5158 125.01532 7756546.0 |
5159 128.06239 168573.0 | 5159 128.06239 168573.0 |
5160 130.078 83461.0 | 5160 130.078 83461.0 |
5161 139.03134 219182.0 | 5161 139.03134 219182.0 |
5162 142.07797 176298.0 | 5162 142.07797 176298.0 |
5163 149.01559 120448.0 | 5163 149.01559 120448.0 |
5164 151.03107 544953.0 | 5164 151.03107 544953.0 |
5165 155.06064 99629.0 | 5165 155.06064 99629.0 |
5166 156.09335 164234.0 | 5166 156.09335 164234.0 |
5167 163.0309 672001.0 | 5167 163.0309 672001.0 |
5168 165.04663 173374.0 | 5168 165.04663 173374.0 |
5169 177.04655 269267.0 | 5169 177.04655 269267.0 |
5170 191.06258 291856.0 | 5170 191.06258 291856.0 |
5171 | 5171 |
5172 COMPOUND_NAME: Metconazole | |
5172 SCANNUMBER: 3161 | 5173 SCANNUMBER: 3161 |
5173 IONMODE: positive | 5174 IONMODE: positive |
5174 SPECTRUMTYPE: Centroid | 5175 SPECTRUMTYPE: Centroid |
5175 FORMULA: C17H22N3OCl | 5176 FORMULA: C17H22N3OCl |
5176 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N | 5177 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N |
5177 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl | 5178 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl |
5178 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5179 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5179 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5180 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5180 IONIZATION: ESI+ | 5181 IONIZATION: ESI+ |
5181 LICENSE: CC BY-NC | 5182 LICENSE: CC BY-NC |
5182 COMPOUND_NAME: Metconazole | |
5183 RETENTION_TIME: 7.017605 | 5183 RETENTION_TIME: 7.017605 |
5184 PRECURSOR_MZ: 320.1538 | 5184 PRECURSOR_MZ: 320.1538 |
5185 ADDUCT: [M+H]+ | 5185 ADDUCT: [M+H]+ |
5186 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5186 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5187 NUM PEAKS: 13 | 5187 NUM PEAKS: 13 |
5188 95.08585 468079.0 | 5188 95.08585 468079.0 |
5189 107.08563 155599.0 | 5189 107.08563 155599.0 |
5190 125.01532 7873925.0 | 5190 125.01532 7873925.0 |
5191 128.06239 109318.0 | 5191 128.06239 109318.0 |
5192 139.0309 414801.0 | 5192 139.0309 414801.0 |
5193 141.07028 83342.0 | 5193 141.07028 83342.0 |
5194 142.07797 413140.0 | 5194 142.07797 413140.0 |
5195 151.03107 437268.0 | 5195 151.03107 437268.0 |
5196 156.09335 90865.0 | 5196 156.09335 90865.0 |
5197 163.0309 398692.0 | 5197 163.0309 398692.0 |
5198 165.04663 82686.0 | 5198 165.04663 82686.0 |
5199 177.04655 645875.0 | 5199 177.04655 645875.0 |
5200 191.06258 194319.0 | 5200 191.06258 194319.0 |
5201 | 5201 |
5202 COMPOUND_NAME: Nuarimol | |
5202 SCANNUMBER: 1883 | 5203 SCANNUMBER: 1883 |
5203 IONMODE: positive | 5204 IONMODE: positive |
5204 SPECTRUMTYPE: Centroid | 5205 SPECTRUMTYPE: Centroid |
5205 FORMULA: C17H12N2OClF | 5206 FORMULA: C17H12N2OClF |
5206 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N | 5207 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N |
5207 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O | 5208 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O |
5208 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5209 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5209 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5210 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5210 IONIZATION: ESI+ | 5211 IONIZATION: ESI+ |
5211 LICENSE: CC BY-NC | 5212 LICENSE: CC BY-NC |
5212 COMPOUND_NAME: Nuarimol | |
5213 RETENTION_TIME: 6.452959 | 5213 RETENTION_TIME: 6.452959 |
5214 PRECURSOR_MZ: 315.0705 | 5214 PRECURSOR_MZ: 315.0705 |
5215 ADDUCT: [M+H]+ | 5215 ADDUCT: [M+H]+ |
5216 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5216 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5217 NUM PEAKS: 59 | 5217 NUM PEAKS: 59 |
5218 113.03991 15277.0 | 5218 113.03991 15277.0 |
5219 123.02419 689099.0 | 5219 123.02419 689099.0 |
5220 123.03554 68936.0 | 5220 123.03554 68936.0 |
5221 128.04956 14564.0 | 5221 128.04956 14564.0 |
5222 129.01041 14843.0 | 5222 129.01041 14843.0 |
5223 133.0451 22041.0 | 5223 133.0451 22041.0 |
5224 138.99483 1332636.0 | 5224 138.99483 1332636.0 |
5225 139.00581 94456.0 | 5225 139.00581 94456.0 |
5226 140.02657 19300.0 | 5226 140.02657 19300.0 |
5227 146.06032 14189.0 | 5227 146.06032 14189.0 |
5228 148.05606 39683.0 | 5228 148.05606 39683.0 |
5229 149.01559 14981.0 | 5229 149.01559 14981.0 |
5230 155.06064 19858.0 | 5230 155.06064 19858.0 |
5231 156.06824 55221.0 | 5231 156.06824 55221.0 |
5232 157.07619 36997.0 | 5232 157.07619 36997.0 |
5233 164.0265 18608.0 | 5233 164.0265 18608.0 |
5234 175.06673 21221.0 | 5234 175.06673 21221.0 |
5235 176.05058 19072.0 | 5235 176.05058 19072.0 |
5236 177.06996 49682.0 | 5236 177.06996 49682.0 |
5237 183.0555 30209.0 | 5237 183.0555 30209.0 |
5238 183.06081 88118.0 | 5238 183.06081 88118.0 |
5239 184.06332 19768.0 | 5239 184.06332 19768.0 |
5240 184.06868 59202.0 | 5240 184.06868 59202.0 |
5241 196.06854 97299.0 | 5241 196.06854 97299.0 |
5242 197.07671 61139.0 | 5242 197.07671 61139.0 |
5243 203.0621 35166.0 | 5243 203.0621 35166.0 |
5244 204.06998 19803.0 | 5244 204.06998 19803.0 |
5245 204.08092 49291.0 | 5245 204.08092 49291.0 |
5246 205.06487 29754.0 | 5246 205.06487 29754.0 |
5247 207.06059 882384.0 | 5247 207.06059 882384.0 |
5248 208.0686 634275.0 | 5248 208.0686 634275.0 |
5249 209.07669 25592.0 | 5249 209.07669 25592.0 |
5250 217.0218 165488.0 | 5250 217.0218 165488.0 |
5251 219.03754 41019.0 | 5251 219.03754 41019.0 |
5252 222.07198 384808.0 | 5252 222.07198 384808.0 |
5253 223.03162 30017.0 | 5253 223.03162 30017.0 |
5254 223.0799 43854.0 | 5254 223.0799 43854.0 |
5255 224.08748 416242.0 | 5255 224.08748 416242.0 |
5256 225.07111 247098.0 | 5256 225.07111 247098.0 |
5257 225.09467 22048.0 | 5257 225.09467 22048.0 |
5258 231.03761 14704.0 | 5258 231.03761 14704.0 |
5259 232.07594 99246.0 | 5259 232.07594 99246.0 |
5260 234.07179 197210.0 | 5260 234.07179 197210.0 |
5261 235.032 192527.0 | 5261 235.032 192527.0 |
5262 235.05521 28642.0 | 5262 235.05521 28642.0 |
5263 235.07939 264307.0 | 5263 235.07939 264307.0 |
5264 236.06332 486776.0 | 5264 236.06332 486776.0 |
5265 242.08463 14147.0 | 5265 242.08463 14147.0 |
5266 243.03766 1030291.0 | 5266 243.03766 1030291.0 |
5267 250.06654 105369.0 | 5267 250.06654 105369.0 |
5268 251.07462 143926.0 | 5268 251.07462 143926.0 |
5269 251.0981 73184.0 | 5269 251.0981 73184.0 |
5270 252.08234 1413294.0 | 5270 252.08234 1413294.0 |
5271 260.06421 35847.0 | 5271 260.06421 35847.0 |
5272 261.08243 111553.0 | 5272 261.08243 111553.0 |
5273 262.0907 121243.0 | 5273 262.0907 121243.0 |
5274 263.09796 32958.0 | 5274 263.09796 32958.0 |
5275 269.04013 16405.0 | 5275 269.04013 16405.0 |
5276 270.04846 16960.0 | 5276 270.04846 16960.0 |
5277 | 5277 |
5278 COMPOUND_NAME: Paclobutrazol | |
5278 SCANNUMBER: 1764 | 5279 SCANNUMBER: 1764 |
5279 IONMODE: positive | 5280 IONMODE: positive |
5280 SPECTRUMTYPE: Centroid | 5281 SPECTRUMTYPE: Centroid |
5281 FORMULA: C15H20N3OCl | 5282 FORMULA: C15H20N3OCl |
5282 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N | 5283 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N |
5283 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl | 5284 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl |
5284 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5285 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5285 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5286 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5286 IONIZATION: ESI+ | 5287 IONIZATION: ESI+ |
5287 LICENSE: CC BY-NC | 5288 LICENSE: CC BY-NC |
5288 COMPOUND_NAME: Paclobutrazol | |
5289 RETENTION_TIME: 6.358851 | 5289 RETENTION_TIME: 6.358851 |
5290 PRECURSOR_MZ: 294.1362 | 5290 PRECURSOR_MZ: 294.1362 |
5291 ADDUCT: [M+H]+ | 5291 ADDUCT: [M+H]+ |
5292 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5292 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5293 NUM PEAKS: 22 | 5293 NUM PEAKS: 22 |
5294 87.0807 394679.0 | 5294 87.0807 394679.0 |
5295 89.03882 144548.0 | 5295 89.03882 144548.0 |
5296 91.05441 100589.0 | 5296 91.05441 100589.0 |
5297 95.04928 72012.0 | 5297 95.04928 72012.0 |
5298 102.04659 60868.0 | 5298 102.04659 60868.0 |
5299 103.05439 512214.0 | 5299 103.05439 512214.0 |
5300 113.0154 191248.0 | 5300 113.0154 191248.0 |
5301 115.0543 61507.0 | 5301 115.0543 61507.0 |
5302 116.06211 61856.0 | 5302 116.06211 61856.0 |
5303 125.01532 6037114.0 | 5303 125.01532 6037114.0 |
5304 126.01882 85997.0 | 5304 126.01882 85997.0 |
5305 127.01254 4019573.0 | 5305 127.01254 4019573.0 |
5306 129.07021 226797.0 | 5306 129.07021 226797.0 |
5307 130.078 602958.0 | 5307 130.078 602958.0 |
5308 137.01562 331896.0 | 5308 137.01562 331896.0 |
5309 139.0309 780894.0 | 5309 139.0309 780894.0 |
5310 140.99162 137268.0 | 5310 140.99162 137268.0 |
5311 141.00285 65567.0 | 5311 141.00285 65567.0 |
5312 141.01048 108664.0 | 5312 141.01048 108664.0 |
5313 151.03107 202825.0 | 5313 151.03107 202825.0 |
5314 165.04663 986782.0 | 5314 165.04663 986782.0 |
5315 173.50876 86407.0 | 5315 173.50876 86407.0 |
5316 | 5316 |
5317 COMPOUND_NAME: Penconazole | |
5317 SCANNUMBER: 2459 | 5318 SCANNUMBER: 2459 |
5318 IONMODE: positive | 5319 IONMODE: positive |
5319 SPECTRUMTYPE: Centroid | 5320 SPECTRUMTYPE: Centroid |
5320 FORMULA: C13H15N3Cl2 | 5321 FORMULA: C13H15N3Cl2 |
5321 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N | 5322 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N |
5322 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1 | 5323 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1 |
5323 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5324 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5324 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5325 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5325 IONIZATION: ESI+ | 5326 IONIZATION: ESI+ |
5326 LICENSE: CC BY-NC | 5327 LICENSE: CC BY-NC |
5327 COMPOUND_NAME: Penconazole | |
5328 RETENTION_TIME: 6.747501 | 5328 RETENTION_TIME: 6.747501 |
5329 PRECURSOR_MZ: 284.0724 | 5329 PRECURSOR_MZ: 284.0724 |
5330 ADDUCT: [M+H]+ | 5330 ADDUCT: [M+H]+ |
5331 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5331 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5332 NUM PEAKS: 5 | 5332 NUM PEAKS: 5 |
5333 102.04659 746383.0 | 5333 102.04659 746383.0 |
5334 122.99965 1405085.0 | 5334 122.99965 1405085.0 |
5335 137.01562 2859486.0 | 5335 137.01562 2859486.0 |
5336 158.97626 62049868.0 | 5336 158.97626 62049868.0 |
5337 172.99223 3885430.0 | 5337 172.99223 3885430.0 |
5338 | 5338 |
5339 COMPOUND_NAME: Propiconazole | |
5339 SCANNUMBER: 3131 | 5340 SCANNUMBER: 3131 |
5340 IONMODE: positive | 5341 IONMODE: positive |
5341 SPECTRUMTYPE: Centroid | 5342 SPECTRUMTYPE: Centroid |
5342 FORMULA: C15H17N3O2Cl2 | 5343 FORMULA: C15H17N3O2Cl2 |
5343 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N | 5344 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N |
5344 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl | 5345 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl |
5345 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5346 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5346 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5347 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5347 IONIZATION: ESI+ | 5348 IONIZATION: ESI+ |
5348 LICENSE: CC BY-NC | 5349 LICENSE: CC BY-NC |
5349 COMPOUND_NAME: Propiconazole | |
5350 RETENTION_TIME: 6.999194 | 5350 RETENTION_TIME: 6.999194 |
5351 PRECURSOR_MZ: 342.0777 | 5351 PRECURSOR_MZ: 342.0777 |
5352 ADDUCT: [M+H]+ | 5352 ADDUCT: [M+H]+ |
5353 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5353 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5354 NUM PEAKS: 5 | 5354 NUM PEAKS: 5 |
5355 122.99965 303053.0 | 5355 122.99965 303053.0 |
5356 158.97626 24240670.0 | 5356 158.97626 24240670.0 |
5357 172.9556 1323126.0 | 5357 172.9556 1323126.0 |
5358 186.97108 391981.0 | 5358 186.97108 391981.0 |
5359 190.96622 431621.0 | 5359 190.96622 431621.0 |
5360 | 5360 |
5361 COMPOUND_NAME: Tebuconazole | |
5361 SCANNUMBER: 2993 | 5362 SCANNUMBER: 2993 |
5362 IONMODE: positive | 5363 IONMODE: positive |
5363 SPECTRUMTYPE: Centroid | 5364 SPECTRUMTYPE: Centroid |
5364 FORMULA: C16H22N3OCl | 5365 FORMULA: C16H22N3OCl |
5365 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N | 5366 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N |
5366 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O | 5367 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O |
5367 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5368 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5368 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5369 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5369 IONIZATION: ESI+ | 5370 IONIZATION: ESI+ |
5370 LICENSE: CC BY-NC | 5371 LICENSE: CC BY-NC |
5371 COMPOUND_NAME: Tebuconazole | |
5372 RETENTION_TIME: 6.933391 | 5372 RETENTION_TIME: 6.933391 |
5373 PRECURSOR_MZ: 308.1532 | 5373 PRECURSOR_MZ: 308.1532 |
5374 ADDUCT: [M+H]+ | 5374 ADDUCT: [M+H]+ |
5375 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5375 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5376 NUM PEAKS: 15 | 5376 NUM PEAKS: 15 |
5377 89.03882 78455.0 | 5377 89.03882 78455.0 |
5378 103.05439 150981.0 | 5378 103.05439 150981.0 |
5379 115.0543 806550.0 | 5379 115.0543 806550.0 |
5380 116.06211 1104744.0 | 5380 116.06211 1104744.0 |
5381 125.01532 7312966.0 | 5381 125.01532 7312966.0 |
5382 129.07021 192428.0 | 5382 129.07021 192428.0 |
5383 130.078 394675.0 | 5383 130.078 394675.0 |
5384 133.06488 89665.0 | 5384 133.06488 89665.0 |
5385 137.01562 81241.0 | 5385 137.01562 81241.0 |
5386 139.0309 552019.0 | 5386 139.0309 552019.0 |
5387 143.06068 143813.0 | 5387 143.06068 143813.0 |
5388 144.09352 109186.0 | 5388 144.09352 109186.0 |
5389 151.03107 2225088.0 | 5389 151.03107 2225088.0 |
5390 165.04663 474739.0 | 5390 165.04663 474739.0 |
5391 179.0621 93619.0 | 5391 179.0621 93619.0 |
5392 | 5392 |
5393 COMPOUND_NAME: Tetraconazole | |
5393 SCANNUMBER: 1845 | 5394 SCANNUMBER: 1845 |
5394 IONMODE: positive | 5395 IONMODE: positive |
5395 SPECTRUMTYPE: Centroid | 5396 SPECTRUMTYPE: Centroid |
5396 FORMULA: C13H11N3OCl2F4 | 5397 FORMULA: C13H11N3OCl2F4 |
5397 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N | 5398 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N |
5398 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F | 5399 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F |
5399 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5400 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5400 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5401 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5401 IONIZATION: ESI+ | 5402 IONIZATION: ESI+ |
5402 LICENSE: CC BY-NC | 5403 LICENSE: CC BY-NC |
5403 COMPOUND_NAME: Tetraconazole | |
5404 RETENTION_TIME: 6.434036 | 5404 RETENTION_TIME: 6.434036 |
5405 PRECURSOR_MZ: 372.0302 | 5405 PRECURSOR_MZ: 372.0302 |
5406 ADDUCT: [M+H]+ | 5406 ADDUCT: [M+H]+ |
5407 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5407 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5408 NUM PEAKS: 6 | 5408 NUM PEAKS: 6 |
5409 115.05463 210733.0 | 5409 115.05463 210733.0 |
5410 149.01559 493803.0 | 5410 149.01559 493803.0 |
5411 150.02344 1143618.0 | 5411 150.02344 1143618.0 |
5412 158.97679 15780315.0 | 5412 158.97679 15780315.0 |
5413 176.96693 301907.0 | 5413 176.96693 301907.0 |
5414 184.99236 249943.0 | 5414 184.99236 249943.0 |
5415 | 5415 |
5416 COMPOUND_NAME: Triflumizole | |
5416 SCANNUMBER: 2640 | 5417 SCANNUMBER: 2640 |
5417 IONMODE: positive | 5418 IONMODE: positive |
5418 SPECTRUMTYPE: Centroid | 5419 SPECTRUMTYPE: Centroid |
5419 FORMULA: C15H15N3OClF3 | 5420 FORMULA: C15H15N3OClF3 |
5420 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N | 5421 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N |
5421 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1 | 5422 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1 |
5422 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5423 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5423 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5424 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5424 IONIZATION: ESI+ | 5425 IONIZATION: ESI+ |
5425 LICENSE: CC BY-NC | 5426 LICENSE: CC BY-NC |
5426 COMPOUND_NAME: Triflumizole | |
5427 RETENTION_TIME: 6.821252 | 5427 RETENTION_TIME: 6.821252 |
5428 PRECURSOR_MZ: 346.094 | 5428 PRECURSOR_MZ: 346.094 |
5429 ADDUCT: [M+H]+ | 5429 ADDUCT: [M+H]+ |
5430 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5430 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5431 NUM PEAKS: 2 | 5431 NUM PEAKS: 2 |
5432 278.05542 29552484.0 | 5432 278.05542 29552484.0 |
5433 346.09351 955540.0 | 5433 346.09351 955540.0 |
5434 | 5434 |
5435 COMPOUND_NAME: Triticonazole | |
5435 SCANNUMBER: 2549 | 5436 SCANNUMBER: 2549 |
5436 IONMODE: positive | 5437 IONMODE: positive |
5437 SPECTRUMTYPE: Centroid | 5438 SPECTRUMTYPE: Centroid |
5438 FORMULA: C17H20N3OCl | 5439 FORMULA: C17H20N3OCl |
5439 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N | 5440 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N |
5440 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C | 5441 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C |
5441 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5442 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5442 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5443 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5443 IONIZATION: ESI+ | 5444 IONIZATION: ESI+ |
5444 LICENSE: CC BY-NC | 5445 LICENSE: CC BY-NC |
5445 COMPOUND_NAME: Triticonazole | |
5446 RETENTION_TIME: 6.793731 | 5446 RETENTION_TIME: 6.793731 |
5447 PRECURSOR_MZ: 318.1369 | 5447 PRECURSOR_MZ: 318.1369 |
5448 ADDUCT: [M+H]+ | 5448 ADDUCT: [M+H]+ |
5449 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5449 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5450 NUM PEAKS: 59 | 5450 NUM PEAKS: 59 |
5451 89.03882 57349.0 | 5451 89.03882 57349.0 |
5452 91.05464 43853.0 | 5452 91.05464 43853.0 |
5453 95.04953 68354.0 | 5453 95.04953 68354.0 |
5454 95.08585 78735.0 | 5454 95.08585 78735.0 |
5455 105.04505 52373.0 | 5455 105.04505 52373.0 |
5456 105.07019 44975.0 | 5456 105.07019 44975.0 |
5457 109.06509 75668.0 | 5457 109.06509 75668.0 |
5458 109.10148 51915.0 | 5458 109.10148 51915.0 |
5459 113.01572 53023.0 | 5459 113.01572 53023.0 |
5460 115.05463 68376.0 | 5460 115.05463 68376.0 |
5461 123.0806 45319.0 | 5461 123.0806 45319.0 |
5462 124.08866 67815.0 | 5462 124.08866 67815.0 |
5463 125.0157 4347652.0 | 5463 125.0157 4347652.0 |
5464 127.01254 310325.0 | 5464 127.01254 310325.0 |
5465 128.06239 303332.0 | 5465 128.06239 303332.0 |
5466 130.078 46406.0 | 5466 130.078 46406.0 |
5467 138.99483 44710.0 | 5467 138.99483 44710.0 |
5468 139.03134 105057.0 | 5468 139.03134 105057.0 |
5469 141.0033 76537.0 | 5469 141.0033 76537.0 |
5470 141.01048 71845.0 | 5470 141.01048 71845.0 |
5471 141.07028 162099.0 | 5471 141.07028 162099.0 |
5472 142.07797 64263.0 | 5472 142.07797 64263.0 |
5473 145.0649 84426.0 | 5473 145.0649 84426.0 |
5474 149.01559 164192.0 | 5474 149.01559 164192.0 |
5475 150.97079 108504.0 | 5475 150.97079 108504.0 |
5476 151.01263 78052.0 | 5476 151.01263 78052.0 |
5477 151.03107 81877.0 | 5477 151.03107 81877.0 |
5478 152.0202 168874.0 | 5478 152.0202 168874.0 |
5479 152.06247 59642.0 | 5479 152.06247 59642.0 |
5480 153.06992 138585.0 | 5480 153.06992 138585.0 |
5481 154.07816 168480.0 | 5481 154.07816 168480.0 |
5482 155.00728 52088.0 | 5482 155.00728 52088.0 |
5483 155.06064 174636.0 | 5483 155.06064 174636.0 |
5484 155.07307 63253.0 | 5484 155.07307 63253.0 |
5485 155.08603 105852.0 | 5485 155.08603 105852.0 |
5486 156.09389 497246.0 | 5486 156.09389 497246.0 |
5487 160.97346 52002.0 | 5487 160.97346 52002.0 |
5488 161.97681 59631.0 | 5488 161.97681 59631.0 |
5489 162.0233 93274.0 | 5489 162.0233 93274.0 |
5490 162.97058 1449389.0 | 5490 162.97058 1449389.0 |
5491 163.0309 743940.0 | 5491 163.0309 743940.0 |
5492 165.04663 51233.0 | 5492 165.04663 51233.0 |
5493 165.06996 567265.0 | 5493 165.06996 567265.0 |
5494 166.07343 191274.0 | 5494 166.07343 191274.0 |
5495 167.0768 126513.0 | 5495 167.0768 126513.0 |
5496 167.08606 45824.0 | 5496 167.08606 45824.0 |
5497 174.97041 93433.0 | 5497 174.97041 93433.0 |
5498 175.0313 553302.0 | 5498 175.0313 553302.0 |
5499 176.03931 76155.0 | 5499 176.03931 76155.0 |
5500 177.04655 73758.0 | 5500 177.04655 73758.0 |
5501 178.96568 128779.0 | 5501 178.96568 128779.0 |
5502 181.10179 157033.0 | 5502 181.10179 157033.0 |
5503 185.07611 76498.0 | 5503 185.07611 76498.0 |
5504 188.98663 142622.0 | 5504 188.98663 142622.0 |
5505 189.04662 686868.0 | 5505 189.04662 686868.0 |
5506 189.05568 66741.0 | 5506 189.05568 66741.0 |
5507 190.04179 48399.0 | 5507 190.04179 48399.0 |
5508 191.06258 581232.0 | 5508 191.06258 581232.0 |
5509 196.12456 74697.0 | 5509 196.12456 74697.0 |
5510 | 5510 |
5511 COMPOUND_NAME: Spinetoram L | |
5511 SCANNUMBER: 3229 | 5512 SCANNUMBER: 3229 |
5512 IONMODE: positive | 5513 IONMODE: positive |
5513 SPECTRUMTYPE: Centroid | 5514 SPECTRUMTYPE: Centroid |
5514 FORMULA: C43H69NO10 | 5515 FORMULA: C43H69NO10 |
5515 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N | 5516 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N |
5516 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 | 5517 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 |
5517 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5518 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5518 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5519 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5519 IONIZATION: ESI+ | 5520 IONIZATION: ESI+ |
5520 LICENSE: CC BY-NC | 5521 LICENSE: CC BY-NC |
5521 COMPOUND_NAME: Spinetoram L | |
5522 RETENTION_TIME: 6.970665 | 5522 RETENTION_TIME: 6.970665 |
5523 PRECURSOR_MZ: 760.5021 | 5523 PRECURSOR_MZ: 760.5021 |
5524 ADDUCT: [M+H]+ | 5524 ADDUCT: [M+H]+ |
5525 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5525 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5526 NUM PEAKS: 21 | 5526 NUM PEAKS: 21 |
5527 85.06505 76410.0 | 5527 85.06505 76410.0 |
5528 87.04429 159491.0 | 5528 87.04429 159491.0 |
5529 95.04928 101292.0 | 5529 95.04928 101292.0 |
5530 97.06514 990457.0 | 5530 97.06514 990457.0 |
5531 98.09655 3217928.0 | 5531 98.09655 3217928.0 |
5532 99.04415 293676.0 | 5532 99.04415 293676.0 |
5533 99.08067 604833.0 | 5533 99.08067 604833.0 |
5534 101.06004 88798.0 | 5534 101.06004 88798.0 |
5535 111.04435 94328.0 | 5535 111.04435 94328.0 |
5536 115.0755 369305.0 | 5536 115.0755 369305.0 |
5537 124.11241 164399.0 | 5537 124.11241 164399.0 |
5538 125.05997 306356.0 | 5538 125.05997 306356.0 |
5539 127.07556 185334.0 | 5539 127.07556 185334.0 |
5540 142.12299 6861919.0 | 5540 142.12299 6861919.0 |
5541 157.08623 113064.0 | 5541 157.08623 113064.0 |
5542 160.13321 150610.0 | 5542 160.13321 150610.0 |
5543 169.10155 133452.0 | 5543 169.10155 133452.0 |
5544 173.50752 93996.0 | 5544 173.50752 93996.0 |
5545 183.11732 117521.0 | 5545 183.11732 117521.0 |
5546 211.11166 121662.0 | 5546 211.11166 121662.0 |
5547 213.09132 89441.0 | 5547 213.09132 89441.0 |
5548 | 5548 |
5549 COMPOUND_NAME: Emamectin benzoate | |
5549 SCANNUMBER: 3373 | 5550 SCANNUMBER: 3373 |
5550 IONMODE: positive | 5551 IONMODE: positive |
5551 SPECTRUMTYPE: Centroid | 5552 SPECTRUMTYPE: Centroid |
5552 FORMULA: C49H75NO13 | 5553 FORMULA: C49H75NO13 |
5553 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N | 5554 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N |
5554 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 | 5555 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 |
5555 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5556 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5556 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5557 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5557 IONIZATION: ESI+ | 5558 IONIZATION: ESI+ |
5558 LICENSE: CC BY-NC | 5559 LICENSE: CC BY-NC |
5559 COMPOUND_NAME: Emamectin benzoate | |
5560 RETENTION_TIME: 6.999389 | 5560 RETENTION_TIME: 6.999389 |
5561 PRECURSOR_MZ: 886.5328 | 5561 PRECURSOR_MZ: 886.5328 |
5562 ADDUCT: [M+H]+ | 5562 ADDUCT: [M+H]+ |
5563 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5563 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5564 NUM PEAKS: 11 | 5564 NUM PEAKS: 11 |
5565 95.04928 292923.0 | 5565 95.04928 292923.0 |
5566 98.06031 268499.0 | 5566 98.06031 268499.0 |
5567 108.08107 688810.0 | 5567 108.08107 688810.0 |
5568 109.10148 229513.0 | 5568 109.10148 229513.0 |
5569 114.0916 233366.0 | 5569 114.0916 233366.0 |
5570 119.08569 201386.0 | 5570 119.08569 201386.0 |
5571 123.11689 375128.0 | 5571 123.11689 375128.0 |
5572 126.09174 1876739.0 | 5572 126.09174 1876739.0 |
5573 140.10709 213152.0 | 5573 140.10709 213152.0 |
5574 158.11794 18414448.0 | 5574 158.11794 18414448.0 |
5575 173.50876 230972.0 | 5575 173.50876 230972.0 |
5576 | 5576 |
5577 COMPOUND_NAME: Fenpropimorph | |
5577 SCANNUMBER: 1283 | 5578 SCANNUMBER: 1283 |
5578 IONMODE: positive | 5579 IONMODE: positive |
5579 SPECTRUMTYPE: Centroid | 5580 SPECTRUMTYPE: Centroid |
5580 FORMULA: C20H33NO | 5581 FORMULA: C20H33NO |
5581 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N | 5582 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N |
5582 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C | 5583 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C |
5583 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5584 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5584 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5585 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5585 IONIZATION: ESI+ | 5586 IONIZATION: ESI+ |
5586 LICENSE: CC BY-NC | 5587 LICENSE: CC BY-NC |
5587 COMPOUND_NAME: Fenpropimorph | |
5588 RETENTION_TIME: 4.613603 | 5588 RETENTION_TIME: 4.613603 |
5589 PRECURSOR_MZ: 304.2642 | 5589 PRECURSOR_MZ: 304.2642 |
5590 ADDUCT: [M+H]+ | 5590 ADDUCT: [M+H]+ |
5591 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5591 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5592 NUM PEAKS: 14 | 5592 NUM PEAKS: 14 |
5593 91.05441 1025363.0 | 5593 91.05441 1025363.0 |
5594 98.09655 5764430.0 | 5594 98.09655 5764430.0 |
5595 102.09142 427096.0 | 5595 102.09142 427096.0 |
5596 105.0699 3838997.0 | 5596 105.0699 3838997.0 |
5597 107.08563 608609.0 | 5597 107.08563 608609.0 |
5598 116.10709 2962134.0 | 5598 116.10709 2962134.0 |
5599 117.06997 1187727.0 | 5599 117.06997 1187727.0 |
5600 119.08569 5923314.0 | 5600 119.08569 5923314.0 |
5601 130.1226 4460902.0 | 5601 130.1226 4460902.0 |
5602 132.09351 5501752.0 | 5602 132.09351 5501752.0 |
5603 145.10147 350602.0 | 5603 145.10147 350602.0 |
5604 147.11678 29169826.0 | 5604 147.11678 29169826.0 |
5605 161.13254 881881.0 | 5605 161.13254 881881.0 |
5606 304.26379 2555976.0 | 5606 304.26379 2555976.0 |
5607 | 5607 |
5608 COMPOUND_NAME: Spirodiclofen | |
5608 SCANNUMBER: 4501 | 5609 SCANNUMBER: 4501 |
5609 IONMODE: positive | 5610 IONMODE: positive |
5610 SPECTRUMTYPE: Centroid | 5611 SPECTRUMTYPE: Centroid |
5611 FORMULA: C21H24O4Cl2 | 5612 FORMULA: C21H24O4Cl2 |
5612 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N | 5613 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N |
5613 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C | 5614 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C |
5614 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5615 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5615 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5616 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5616 IONIZATION: ESI+ | 5617 IONIZATION: ESI+ |
5617 LICENSE: CC BY-NC | 5618 LICENSE: CC BY-NC |
5618 COMPOUND_NAME: Spirodiclofen | |
5619 RETENTION_TIME: 7.279784 | 5619 RETENTION_TIME: 7.279784 |
5620 PRECURSOR_MZ: 411.1127 | 5620 PRECURSOR_MZ: 411.1127 |
5621 ADDUCT: [M+H]+ | 5621 ADDUCT: [M+H]+ |
5622 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5622 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5623 NUM PEAKS: 3 | 5623 NUM PEAKS: 3 |
5624 313.03357 548684.0 | 5624 313.03357 548684.0 |
5625 313.03952 12618725.0 | 5625 313.03952 12618725.0 |
5626 411.11246 2380661.0 | 5626 411.11246 2380661.0 |
5627 | 5627 |
5628 COMPOUND_NAME: Spinosad | |
5628 SCANNUMBER: 2899 | 5629 SCANNUMBER: 2899 |
5629 IONMODE: positive | 5630 IONMODE: positive |
5630 SPECTRUMTYPE: Centroid | 5631 SPECTRUMTYPE: Centroid |
5631 FORMULA: C41H65NO10 | 5632 FORMULA: C41H65NO10 |
5632 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N | 5633 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N |
5633 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 | 5634 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 |
5634 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5635 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5635 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5636 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5636 IONIZATION: ESI+ | 5637 IONIZATION: ESI+ |
5637 LICENSE: CC BY-NC | 5638 LICENSE: CC BY-NC |
5638 COMPOUND_NAME: Spinosad | |
5639 RETENTION_TIME: 6.884336 | 5639 RETENTION_TIME: 6.884336 |
5640 PRECURSOR_MZ: 732.4695 | 5640 PRECURSOR_MZ: 732.4695 |
5641 ADDUCT: [M+H]+ | 5641 ADDUCT: [M+H]+ |
5642 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5642 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5643 NUM PEAKS: 24 | 5643 NUM PEAKS: 24 |
5644 85.06505 290872.0 | 5644 85.06505 290872.0 |
5645 95.08585 281431.0 | 5645 95.08585 281431.0 |
5646 97.06514 4107321.0 | 5646 97.06514 4107321.0 |
5647 98.09655 11811636.0 | 5647 98.09655 11811636.0 |
5648 99.04415 1980639.0 | 5648 99.04415 1980639.0 |
5649 99.08067 1702591.0 | 5649 99.08067 1702591.0 |
5650 101.05976 1777858.0 | 5650 101.05976 1777858.0 |
5651 113.05991 355791.0 | 5651 113.05991 355791.0 |
5652 115.0755 428942.0 | 5652 115.0755 428942.0 |
5653 124.11241 549097.0 | 5653 124.11241 549097.0 |
5654 125.05997 1372437.0 | 5654 125.05997 1372437.0 |
5655 129.09106 504378.0 | 5655 129.09106 504378.0 |
5656 142.12299 24420248.0 | 5656 142.12299 24420248.0 |
5657 145.08598 799808.0 | 5657 145.08598 799808.0 |
5658 155.08551 1085827.0 | 5658 155.08551 1085827.0 |
5659 157.08623 650576.0 | 5659 157.08623 650576.0 |
5660 160.13321 457492.0 | 5660 160.13321 457492.0 |
5661 169.10155 538427.0 | 5661 169.10155 538427.0 |
5662 173.50937 310025.0 | 5662 173.50937 310025.0 |
5663 183.08075 246373.0 | 5663 183.08075 246373.0 |
5664 197.09599 753984.0 | 5664 197.09599 753984.0 |
5665 199.07574 416158.0 | 5665 199.07574 416158.0 |
5666 201.0916 354498.0 | 5666 201.0916 354498.0 |
5667 225.09103 339682.0 | 5667 225.09103 339682.0 |
5668 | 5668 |
5669 COMPOUND_NAME: Spirotetramat | |
5669 SCANNUMBER: 1978 | 5670 SCANNUMBER: 1978 |
5670 IONMODE: positive | 5671 IONMODE: positive |
5671 SPECTRUMTYPE: Centroid | 5672 SPECTRUMTYPE: Centroid |
5672 FORMULA: C21H27NO5 | 5673 FORMULA: C21H27NO5 |
5673 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N | 5674 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N |
5674 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C | 5675 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C |
5675 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5676 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5676 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5677 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5677 IONIZATION: ESI+ | 5678 IONIZATION: ESI+ |
5678 LICENSE: CC BY-NC | 5679 LICENSE: CC BY-NC |
5679 COMPOUND_NAME: Spirotetramat | |
5680 RETENTION_TIME: 6.637813 | 5680 RETENTION_TIME: 6.637813 |
5681 PRECURSOR_MZ: 374.1972 | 5681 PRECURSOR_MZ: 374.1972 |
5682 ADDUCT: [M+H]+ | 5682 ADDUCT: [M+H]+ |
5683 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5683 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5684 NUM PEAKS: 25 | 5684 NUM PEAKS: 25 |
5685 117.07031 3145654.0 | 5685 117.07031 3145654.0 |
5686 119.08569 1788706.0 | 5686 119.08569 1788706.0 |
5687 131.08598 559926.0 | 5687 131.08598 559926.0 |
5688 143.08594 1443391.0 | 5688 143.08594 1443391.0 |
5689 145.06535 755443.0 | 5689 145.06535 755443.0 |
5690 145.10147 3741174.0 | 5690 145.10147 3741174.0 |
5691 147.08087 660014.0 | 5691 147.08087 660014.0 |
5692 155.08603 1939864.0 | 5692 155.08603 1939864.0 |
5693 157.10155 488130.0 | 5693 157.10155 488130.0 |
5694 160.11253 518572.0 | 5694 160.11253 518572.0 |
5695 169.10155 615151.0 | 5695 169.10155 615151.0 |
5696 173.06003 2045691.0 | 5696 173.06003 2045691.0 |
5697 173.09608 1047769.0 | 5697 173.09608 1047769.0 |
5698 182.10933 614118.0 | 5698 182.10933 614118.0 |
5699 183.11732 922964.0 | 5699 183.11732 922964.0 |
5700 188.10699 1101991.0 | 5700 188.10699 1101991.0 |
5701 192.09375 469162.0 | 5701 192.09375 469162.0 |
5702 197.13313 1231311.0 | 5702 197.13313 1231311.0 |
5703 207.11739 667038.0 | 5703 207.11739 667038.0 |
5704 216.10236 45921764.0 | 5704 216.10236 45921764.0 |
5705 225.12729 615992.0 | 5705 225.12729 615992.0 |
5706 244.13345 5845476.0 | 5706 244.13345 5845476.0 |
5707 253.12317 483222.0 | 5707 253.12317 483222.0 |
5708 270.14972 5260680.0 | 5708 270.14972 5260680.0 |
5709 302.17508 467268.0 | 5709 302.17508 467268.0 |
5710 | 5710 |
5711 COMPOUND_NAME: Spinetoram J | |
5711 SCANNUMBER: 2785 | 5712 SCANNUMBER: 2785 |
5712 IONMODE: positive | 5713 IONMODE: positive |
5713 SPECTRUMTYPE: Centroid | 5714 SPECTRUMTYPE: Centroid |
5714 FORMULA: C42H69NO10 | 5715 FORMULA: C42H69NO10 |
5715 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N | 5716 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N |
5716 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 | 5717 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 |
5717 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5718 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5718 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5719 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5719 IONIZATION: ESI+ | 5720 IONIZATION: ESI+ |
5720 LICENSE: CC BY-NC | 5721 LICENSE: CC BY-NC |
5721 COMPOUND_NAME: Spinetoram J | |
5722 RETENTION_TIME: 6.875065 | 5722 RETENTION_TIME: 6.875065 |
5723 PRECURSOR_MZ: 748.4996 | 5723 PRECURSOR_MZ: 748.4996 |
5724 ADDUCT: [M+H]+ | 5724 ADDUCT: [M+H]+ |
5725 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5725 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5726 NUM PEAKS: 19 | 5726 NUM PEAKS: 19 |
5727 87.04429 367892.0 | 5727 87.04429 367892.0 |
5728 95.04928 288081.0 | 5728 95.04928 288081.0 |
5729 97.06488 2777411.0 | 5729 97.06488 2777411.0 |
5730 98.09655 8992013.0 | 5730 98.09655 8992013.0 |
5731 99.04415 801171.0 | 5731 99.04415 801171.0 |
5732 99.08067 1598443.0 | 5732 99.08067 1598443.0 |
5733 111.04435 203657.0 | 5733 111.04435 203657.0 |
5734 115.0755 975367.0 | 5734 115.0755 975367.0 |
5735 124.11241 446241.0 | 5735 124.11241 446241.0 |
5736 125.05997 894301.0 | 5736 125.05997 894301.0 |
5737 127.07556 507677.0 | 5737 127.07556 507677.0 |
5738 142.12299 18851726.0 | 5738 142.12299 18851726.0 |
5739 157.08623 430463.0 | 5739 157.08623 430463.0 |
5740 157.10155 1058798.0 | 5740 157.10155 1058798.0 |
5741 160.13321 524113.0 | 5741 160.13321 524113.0 |
5742 171.11707 230127.0 | 5742 171.11707 230127.0 |
5743 199.11194 246050.0 | 5743 199.11194 246050.0 |
5744 203.10715 581698.0 | 5744 203.10715 581698.0 |
5745 217.12222 236328.0 | 5745 217.12222 236328.0 |
5746 | 5746 |
5747 COMPOUND_NAME: Hydramethylnon | |
5747 SCANNUMBER: 1646 | 5748 SCANNUMBER: 1646 |
5748 IONMODE: positive | 5749 IONMODE: positive |
5749 SPECTRUMTYPE: Centroid | 5750 SPECTRUMTYPE: Centroid |
5750 FORMULA: C25H24N4F6 | 5751 FORMULA: C25H24N4F6 |
5751 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N | 5752 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N |
5752 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F | 5753 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F |
5753 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5754 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5754 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5755 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5755 IONIZATION: ESI+ | 5756 IONIZATION: ESI+ |
5756 LICENSE: CC BY-NC | 5757 LICENSE: CC BY-NC |
5757 COMPOUND_NAME: Hydramethylnon | |
5758 RETENTION_TIME: 6.67979 | 5758 RETENTION_TIME: 6.67979 |
5759 PRECURSOR_MZ: 495.1986 | 5759 PRECURSOR_MZ: 495.1986 |
5760 ADDUCT: [M+H]+ | 5760 ADDUCT: [M+H]+ |
5761 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5761 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5762 NUM PEAKS: 48 | 5762 NUM PEAKS: 48 |
5763 86.09703 592073.0 | 5763 86.09703 592073.0 |
5764 97.07668 1102254.0 | 5764 97.07668 1102254.0 |
5765 102.04713 162761.0 | 5765 102.04713 162761.0 |
5766 109.07671 152336.0 | 5766 109.07671 152336.0 |
5767 111.09241 210434.0 | 5767 111.09241 210434.0 |
5768 112.08799 1438576.0 | 5768 112.08799 1438576.0 |
5769 112.1001 1334338.0 | 5769 112.1001 1334338.0 |
5770 113.10799 1043525.0 | 5770 113.10799 1043525.0 |
5771 126.10352 2018271.0 | 5771 126.10352 2018271.0 |
5772 127.11132 687935.0 | 5772 127.11132 687935.0 |
5773 128.1188 2868988.0 | 5773 128.1188 2868988.0 |
5774 151.03604 3123530.0 | 5774 151.03604 3123530.0 |
5775 153.11414 318101.0 | 5775 153.11414 318101.0 |
5776 159.04243 1900688.0 | 5776 159.04243 1900688.0 |
5777 163.12367 266550.0 | 5777 163.12367 266550.0 |
5778 169.04726 264978.0 | 5778 169.04726 264978.0 |
5779 171.04259 9972201.0 | 5779 171.04259 9972201.0 |
5780 178.04718 949330.0 | 5780 178.04718 949330.0 |
5781 183.04219 978938.0 | 5781 183.04219 978938.0 |
5782 196.0376 218268.0 | 5782 196.0376 218268.0 |
5783 198.05374 693364.0 | 5783 198.05374 693364.0 |
5784 209.05803 231723.0 | 5784 209.05803 231723.0 |
5785 213.06461 1076938.0 | 5785 213.06461 1076938.0 |
5786 214.04874 274804.0 | 5786 214.04874 274804.0 |
5787 218.05339 138241.0 | 5787 218.05339 138241.0 |
5788 223.04858 173264.0 | 5788 223.04858 173264.0 |
5789 225.06474 1428863.0 | 5789 225.06474 1428863.0 |
5790 238.05968 4320120.0 | 5790 238.05968 4320120.0 |
5791 239.08025 155000.0 | 5791 239.08025 155000.0 |
5792 247.08057 319312.0 | 5792 247.08057 319312.0 |
5793 253.14586 318558.0 | 5793 253.14586 318558.0 |
5794 255.08643 272181.0 | 5794 255.08643 272181.0 |
5795 267.08603 1563035.0 | 5795 267.08603 1563035.0 |
5796 270.13541 250539.0 | 5796 270.13541 250539.0 |
5797 281.12677 392614.0 | 5797 281.12677 392614.0 |
5798 295.14307 440522.0 | 5798 295.14307 440522.0 |
5799 298.08517 500719.0 | 5799 298.08517 500719.0 |
5800 298.15424 170519.0 | 5800 298.15424 170519.0 |
5801 299.09323 317366.0 | 5801 299.09323 317366.0 |
5802 307.14276 192450.0 | 5802 307.14276 192450.0 |
5803 323.14941 13337730.0 | 5803 323.14941 13337730.0 |
5804 328.07541 186287.0 | 5804 328.07541 186287.0 |
5805 334.15344 701456.0 | 5805 334.15344 701456.0 |
5806 348.08228 404641.0 | 5806 348.08228 404641.0 |
5807 353.0658 262110.0 | 5807 353.0658 262110.0 |
5808 366.07346 193709.0 | 5808 366.07346 193709.0 |
5809 368.08932 5815862.0 | 5809 368.08932 5815862.0 |
5810 495.20059 2433116.0 | 5810 495.20059 2433116.0 |
5811 | 5811 |
5812 COMPOUND_NAME: Aminocarb_1 | |
5812 SCANNUMBER: 742 | 5813 SCANNUMBER: 742 |
5813 IONMODE: positive | 5814 IONMODE: positive |
5814 SPECTRUMTYPE: Centroid | 5815 SPECTRUMTYPE: Centroid |
5815 FORMULA: C11H16N2O2 | 5816 FORMULA: C11H16N2O2 |
5816 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N | 5817 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N |
5817 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O | 5818 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O |
5818 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5819 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5819 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5820 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5820 IONIZATION: ESI+ | 5821 IONIZATION: ESI+ |
5821 LICENSE: CC BY-NC | 5822 LICENSE: CC BY-NC |
5822 COMPOUND_NAME: Aminocarb_1 | |
5823 RETENTION_TIME: 0.8035756 | 5823 RETENTION_TIME: 0.8035756 |
5824 PRECURSOR_MZ: 209.129 | 5824 PRECURSOR_MZ: 209.129 |
5825 ADDUCT: [M+H]+ | 5825 ADDUCT: [M+H]+ |
5826 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5826 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5827 NUM PEAKS: 5 | 5827 NUM PEAKS: 5 |
5828 120.05733 176701.0 | 5828 120.05733 176701.0 |
5829 122.06016 1917070.0 | 5829 122.06016 1917070.0 |
5830 136.07611 928093.0 | 5830 136.07611 928093.0 |
5831 137.08363 8823033.0 | 5831 137.08363 8823033.0 |
5832 152.10725 186336.0 | 5832 152.10725 186336.0 |
5833 | 5833 |
5834 COMPOUND_NAME: Aminocarb_2 | |
5834 SCANNUMBER: 1198 | 5835 SCANNUMBER: 1198 |
5835 IONMODE: positive | 5836 IONMODE: positive |
5836 SPECTRUMTYPE: Centroid | 5837 SPECTRUMTYPE: Centroid |
5837 FORMULA: C11H16N2O2 | 5838 FORMULA: C11H16N2O2 |
5838 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N | 5839 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N |
5839 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O | 5840 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O |
5840 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5841 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5841 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5842 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5842 IONIZATION: ESI+ | 5843 IONIZATION: ESI+ |
5843 LICENSE: CC BY-NC | 5844 LICENSE: CC BY-NC |
5844 COMPOUND_NAME: Aminocarb_2 | |
5845 RETENTION_TIME: 1.13997 | 5845 RETENTION_TIME: 1.13997 |
5846 PRECURSOR_MZ: 209.129 | 5846 PRECURSOR_MZ: 209.129 |
5847 ADDUCT: [M+H]+ | 5847 ADDUCT: [M+H]+ |
5848 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5848 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5849 NUM PEAKS: 5 | 5849 NUM PEAKS: 5 |
5850 120.05733 247123.0 | 5850 120.05733 247123.0 |
5851 122.06016 2666029.0 | 5851 122.06016 2666029.0 |
5852 136.07611 1253139.0 | 5852 136.07611 1253139.0 |
5853 137.08363 12201258.0 | 5853 137.08363 12201258.0 |
5854 152.10725 242082.0 | 5854 152.10725 242082.0 |
5855 | 5855 |
5856 COMPOUND_NAME: Propamocarb_1 | |
5856 SCANNUMBER: 687 | 5857 SCANNUMBER: 687 |
5857 IONMODE: positive | 5858 IONMODE: positive |
5858 SPECTRUMTYPE: Centroid | 5859 SPECTRUMTYPE: Centroid |
5859 FORMULA: C9H20N2O2 | 5860 FORMULA: C9H20N2O2 |
5860 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N | 5861 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N |
5861 SMILES: CCCOC(=NCCCN(C)C)O | 5862 SMILES: CCCOC(=NCCCN(C)C)O |
5862 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5863 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5863 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5864 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5864 IONIZATION: ESI+ | 5865 IONIZATION: ESI+ |
5865 LICENSE: CC BY-NC | 5866 LICENSE: CC BY-NC |
5866 COMPOUND_NAME: Propamocarb_1 | |
5867 RETENTION_TIME: 0.7535679 | 5867 RETENTION_TIME: 0.7535679 |
5868 PRECURSOR_MZ: 189.1603 | 5868 PRECURSOR_MZ: 189.1603 |
5869 ADDUCT: [M+H]+ | 5869 ADDUCT: [M+H]+ |
5870 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5870 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5871 NUM PEAKS: 2 | 5871 NUM PEAKS: 2 |
5872 86.0966 201548.0 | 5872 86.0966 201548.0 |
5873 102.05516 5038638.0 | 5873 102.05516 5038638.0 |
5874 | 5874 |
5875 COMPOUND_NAME: Propamocarb_2 | |
5875 SCANNUMBER: 1108 | 5876 SCANNUMBER: 1108 |
5876 IONMODE: positive | 5877 IONMODE: positive |
5877 SPECTRUMTYPE: Centroid | 5878 SPECTRUMTYPE: Centroid |
5878 FORMULA: C9H20N2O2 | 5879 FORMULA: C9H20N2O2 |
5879 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N | 5880 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N |
5880 SMILES: CCCOC(=NCCCN(C)C)O | 5881 SMILES: CCCOC(=NCCCN(C)C)O |
5881 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5882 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5882 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5883 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5883 IONIZATION: ESI+ | 5884 IONIZATION: ESI+ |
5884 LICENSE: CC BY-NC | 5885 LICENSE: CC BY-NC |
5885 COMPOUND_NAME: Propamocarb_2 | |
5886 RETENTION_TIME: 1.081971 | 5886 RETENTION_TIME: 1.081971 |
5887 PRECURSOR_MZ: 189.1603 | 5887 PRECURSOR_MZ: 189.1603 |
5888 ADDUCT: [M+H]+ | 5888 ADDUCT: [M+H]+ |
5889 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5889 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5890 NUM PEAKS: 2 | 5890 NUM PEAKS: 2 |
5891 86.0966 107829.0 | 5891 86.0966 107829.0 |
5892 102.05516 2507023.0 | 5892 102.05516 2507023.0 |
5893 | 5893 |
5894 COMPOUND_NAME: Formetanate_1 | |
5894 SCANNUMBER: 711 | 5895 SCANNUMBER: 711 |
5895 IONMODE: positive | 5896 IONMODE: positive |
5896 SPECTRUMTYPE: Centroid | 5897 SPECTRUMTYPE: Centroid |
5897 FORMULA: C11H15N3O2 | 5898 FORMULA: C11H15N3O2 |
5898 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N | 5899 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N |
5899 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O | 5900 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O |
5900 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5901 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5901 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5902 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5902 IONIZATION: ESI+ | 5903 IONIZATION: ESI+ |
5903 LICENSE: CC BY-NC | 5904 LICENSE: CC BY-NC |
5904 COMPOUND_NAME: Formetanate_1 | |
5905 RETENTION_TIME: 0.7730471 | 5905 RETENTION_TIME: 0.7730471 |
5906 PRECURSOR_MZ: 222.1239 | 5906 PRECURSOR_MZ: 222.1239 |
5907 ADDUCT: [M+H]+ | 5907 ADDUCT: [M+H]+ |
5908 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5908 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5909 NUM PEAKS: 13 | 5909 NUM PEAKS: 13 |
5910 93.03365 1796.0 | 5910 93.03365 1796.0 |
5911 107.04935 1981.0 | 5911 107.04935 1981.0 |
5912 111.04435 82262.0 | 5912 111.04435 82262.0 |
5913 118.04142 1927.0 | 5913 118.04142 1927.0 |
5914 120.04462 150907.0 | 5914 120.04462 150907.0 |
5915 121.03984 67610.0 | 5915 121.03984 67610.0 |
5916 122.06016 5909.0 | 5916 122.06016 5909.0 |
5917 122.75254 1678.0 | 5917 122.75254 1678.0 |
5918 150.98424 1930.0 | 5918 150.98424 1930.0 |
5919 165.1024 143887.0 | 5919 165.1024 143887.0 |
5920 173.50876 2616.0 | 5920 173.50876 2616.0 |
5921 200.05632 2056.0 | 5921 200.05632 2056.0 |
5922 208.52768 2170.0 | 5922 208.52768 2170.0 |
5923 | 5923 |
5924 COMPOUND_NAME: Formetanate_2 | |
5924 SCANNUMBER: 1161 | 5925 SCANNUMBER: 1161 |
5925 IONMODE: positive | 5926 IONMODE: positive |
5926 SPECTRUMTYPE: Centroid | 5927 SPECTRUMTYPE: Centroid |
5927 FORMULA: C11H15N3O2 | 5928 FORMULA: C11H15N3O2 |
5928 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N | 5929 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N |
5929 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O | 5930 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O |
5930 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5931 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5931 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5932 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5932 IONIZATION: ESI+ | 5933 IONIZATION: ESI+ |
5933 LICENSE: CC BY-NC | 5934 LICENSE: CC BY-NC |
5934 COMPOUND_NAME: Formetanate_2 | |
5935 RETENTION_TIME: 1.13043 | 5935 RETENTION_TIME: 1.13043 |
5936 PRECURSOR_MZ: 222.1239 | 5936 PRECURSOR_MZ: 222.1239 |
5937 ADDUCT: [M+H]+ | 5937 ADDUCT: [M+H]+ |
5938 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5938 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5939 NUM PEAKS: 15 | 5939 NUM PEAKS: 15 |
5940 91.05441 6330.0 | 5940 91.05441 6330.0 |
5941 93.03365 27201.0 | 5941 93.03365 27201.0 |
5942 107.04935 4024.0 | 5942 107.04935 4024.0 |
5943 111.04435 131558.0 | 5943 111.04435 131558.0 |
5944 115.05429 3711.0 | 5944 115.05429 3711.0 |
5945 117.06996 5571.0 | 5945 117.06996 5571.0 |
5946 118.04177 4476.0 | 5946 118.04177 4476.0 |
5947 120.04462 274740.0 | 5947 120.04462 274740.0 |
5948 121.03984 113412.0 | 5948 121.03984 113412.0 |
5949 122.06016 7843.0 | 5949 122.06016 7843.0 |
5950 124.07605 4049.0 | 5950 124.07605 4049.0 |
5951 135.04427 4178.0 | 5951 135.04427 4178.0 |
5952 145.06488 3067.0 | 5952 145.06488 3067.0 |
5953 164.95049 3848.0 | 5953 164.95049 3848.0 |
5954 165.1024 263802.0 | 5954 165.1024 263802.0 |
5955 | 5955 |
5956 COMPOUND_NAME: Mexacarbate | |
5956 SCANNUMBER: 1328 | 5957 SCANNUMBER: 1328 |
5957 IONMODE: positive | 5958 IONMODE: positive |
5958 SPECTRUMTYPE: Centroid | 5959 SPECTRUMTYPE: Centroid |
5959 FORMULA: C12H18N2O2 | 5960 FORMULA: C12H18N2O2 |
5960 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N | 5961 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N |
5961 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O | 5962 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O |
5962 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5963 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5963 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5964 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5964 IONIZATION: ESI+ | 5965 IONIZATION: ESI+ |
5965 LICENSE: CC BY-NC | 5966 LICENSE: CC BY-NC |
5966 COMPOUND_NAME: Mexacarbate | |
5967 RETENTION_TIME: 1.682191 | 5967 RETENTION_TIME: 1.682191 |
5968 PRECURSOR_MZ: 223.1443 | 5968 PRECURSOR_MZ: 223.1443 |
5969 ADDUCT: [M+H]+ | 5969 ADDUCT: [M+H]+ |
5970 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5970 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5971 NUM PEAKS: 5 | 5971 NUM PEAKS: 5 |
5972 134.07283 2632951.0 | 5972 134.07283 2632951.0 |
5973 136.07611 26036728.0 | 5973 136.07611 26036728.0 |
5974 150.092 1572118.0 | 5974 150.092 1572118.0 |
5975 151.09932 54847764.0 | 5975 151.09932 54847764.0 |
5976 166.12282 1541928.0 | 5976 166.12282 1541928.0 |
5977 | 5977 |
5978 COMPOUND_NAME: Monceren | |
5978 SCANNUMBER: 3999 | 5979 SCANNUMBER: 3999 |
5979 IONMODE: positive | 5980 IONMODE: positive |
5980 SPECTRUMTYPE: Centroid | 5981 SPECTRUMTYPE: Centroid |
5981 FORMULA: C19H21N2OCl | 5982 FORMULA: C19H21N2OCl |
5982 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N | 5983 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N |
5983 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1 | 5984 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1 |
5984 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 5985 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
5985 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 5986 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
5986 IONIZATION: ESI+ | 5987 IONIZATION: ESI+ |
5987 LICENSE: CC BY-NC | 5988 LICENSE: CC BY-NC |
5988 COMPOUND_NAME: Monceren | |
5989 RETENTION_TIME: 7.14553 | 5989 RETENTION_TIME: 7.14553 |
5990 PRECURSOR_MZ: 329.1426 | 5990 PRECURSOR_MZ: 329.1426 |
5991 ADDUCT: [M+H]+ | 5991 ADDUCT: [M+H]+ |
5992 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 5992 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
5993 NUM PEAKS: 5 | 5993 NUM PEAKS: 5 |
5994 89.03881 550831.0 | 5994 89.03881 550831.0 |
5995 94.06543 635265.0 | 5995 94.06543 635265.0 |
5996 106.06545 446416.0 | 5996 106.06545 446416.0 |
5997 125.01307 512150.0 | 5997 125.01307 512150.0 |
5998 125.01532 37442116.0 | 5998 125.01532 37442116.0 |
5999 | 5999 |
6000 COMPOUND_NAME: Desmedipham | |
6000 SCANNUMBER: 2271 | 6001 SCANNUMBER: 2271 |
6001 IONMODE: positive | 6002 IONMODE: positive |
6002 SPECTRUMTYPE: Centroid | 6003 SPECTRUMTYPE: Centroid |
6003 FORMULA: C16H16N2O4 | 6004 FORMULA: C16H16N2O4 |
6004 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N | 6005 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N |
6005 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O | 6006 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O |
6006 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 6007 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
6007 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 6008 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
6008 IONIZATION: ESI+ | 6009 IONIZATION: ESI+ |
6009 LICENSE: CC BY-NC | 6010 LICENSE: CC BY-NC |
6010 COMPOUND_NAME: Desmedipham | |
6011 RETENTION_TIME: 6.430396 | 6011 RETENTION_TIME: 6.430396 |
6012 PRECURSOR_MZ: 301.1192 | 6012 PRECURSOR_MZ: 301.1192 |
6013 ADDUCT: [M+H]+ | 6013 ADDUCT: [M+H]+ |
6014 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 6014 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
6015 NUM PEAKS: 3 | 6015 NUM PEAKS: 3 |
6016 136.03947 1773399.0 | 6016 136.03947 1773399.0 |
6017 154.04993 1002798.0 | 6017 154.04993 1002798.0 |
6018 182.08162 6480130.0 | 6018 182.08162 6480130.0 |
6019 | 6019 |
6020 COMPOUND_NAME: Phenmedipham | |
6020 SCANNUMBER: 2458 | 6021 SCANNUMBER: 2458 |
6021 IONMODE: positive | 6022 IONMODE: positive |
6022 SPECTRUMTYPE: Centroid | 6023 SPECTRUMTYPE: Centroid |
6023 FORMULA: C16H16N2O4 | 6024 FORMULA: C16H16N2O4 |
6024 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N | 6025 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N |
6025 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O | 6026 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O |
6026 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) | 6027 AUTHORS: Biomarker Analytical Laboratories, RECETOX, Masaryk University (CZ) |
6027 INSTRUMENT: LC Orbitrap Fusion Tribrid MS | 6028 INSTRUMENT: LC Orbitrap Fusion Tribrid MS |
6028 IONIZATION: ESI+ | 6029 IONIZATION: ESI+ |
6029 LICENSE: CC BY-NC | 6030 LICENSE: CC BY-NC |
6030 COMPOUND_NAME: Phenmedipham | |
6031 RETENTION_TIME: 6.570995 | 6031 RETENTION_TIME: 6.570995 |
6032 PRECURSOR_MZ: 301.1185 | 6032 PRECURSOR_MZ: 301.1185 |
6033 ADDUCT: [M+H]+ | 6033 ADDUCT: [M+H]+ |
6034 INSTRUMENT_TYPE: LC-ESI-Orbitrap | 6034 INSTRUMENT_TYPE: LC-ESI-Orbitrap |
6035 NUM PEAKS: 2 | 6035 NUM PEAKS: 2 |
6036 136.03947 2596929.0 | 6036 136.03947 2596929.0 |
6037 168.06587 7038054.0 | 6037 168.06587 7038054.0 |
6038 | 6038 |