Mercurial > repos > recetox > isolib

comparison test-data/test8.msp @ 7:06f2d0d6d107 draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/isolib commit aec90552d259748822d040248a9e1265759cc198
author recetox
date Tue, 01 Jul 2025 09:28:32 +0000
parents f0fe957df1cc
children
comparison
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6:f0fe957df1cc 7:06f2d0d6d107
3 PRECURSORTYPE: [M+H]+ 3 PRECURSORTYPE: [M+H]+
4 FORMULA: C3H8N1O5P1 4 FORMULA: C3H8N1O5P1
5 charge: 1 5 charge: 1
6 ionization_mode: positive 6 ionization_mode: positive
7 precursor_mz: 170.021284986 7 precursor_mz: 170.021284986
8 group: QCmix+
8 Num Peaks: 1 9 Num Peaks: 1
9 170.021285308091 100 10 170.021285308091 100
10 11
11 NAME: Chlormequat chloride (M+H) 12 NAME: Chlormequat chloride (M+H)
12 msLevel: MS1 13 msLevel: MS1
13 PRECURSORTYPE: [M+H]+ 14 PRECURSORTYPE: [M+H]+
14 FORMULA: C5H13N1Cl1 15 FORMULA: C5H13N1Cl1
15 charge: 1 16 charge: 1
16 ionization_mode: positive 17 ionization_mode: positive
17 precursor_mz: 123.080928096 18 precursor_mz: 123.080928096
19 group: QCmix+
18 Num Peaks: 2 20 Num Peaks: 2
19 123.080928588091 100 21 123.080928588091 100
20 125.077978478091 31.9957761351637 22 125.077978478091 31.9957761351637
21 23
22 NAME: (Aminomethyl)phosphonic acid (M+H) 24 NAME: (Aminomethyl)phosphonic acid (M+H)
24 PRECURSORTYPE: [M+H]+ 26 PRECURSORTYPE: [M+H]+
25 FORMULA: C1H6N1O3P1 27 FORMULA: C1H6N1O3P1
26 charge: 1 28 charge: 1
27 ionization_mode: positive 29 ionization_mode: positive
28 precursor_mz: 112.015805682 30 precursor_mz: 112.015805682
31 group: QCmix+
29 Num Peaks: 1 32 Num Peaks: 1
30 112.015806004091 100 33 112.015806004091 100
31 34
32 NAME: alpha-Fluoro-beta-alanine (M+H) 35 NAME: alpha-Fluoro-beta-alanine (M+H)
33 msLevel: MS1 36 msLevel: MS1
34 PRECURSORTYPE: [M+H]+ 37 PRECURSORTYPE: [M+H]+
35 FORMULA: C3H6N1O2F1 38 FORMULA: C3H6N1O2F1
36 charge: 1 39 charge: 1
37 ionization_mode: positive 40 ionization_mode: positive
38 precursor_mz: 108.045532652 41 precursor_mz: 108.045532652
42 group: QCmix+
39 Num Peaks: 1 43 Num Peaks: 1
40 108.045533094091 100 44 108.045533094091 100
41 45
42 NAME: 5-fluorouracil (M+H) 46 NAME: 5-fluorouracil (M+H)
43 msLevel: MS1 47 msLevel: MS1
44 PRECURSORTYPE: [M+H]+ 48 PRECURSORTYPE: [M+H]+
45 FORMULA: C4H3N2O2F1 49 FORMULA: C4H3N2O2F1
46 charge: 1 50 charge: 1
47 ionization_mode: positive 51 ionization_mode: positive
48 precursor_mz: 131.025131556 52 precursor_mz: 131.025131556
53 group: QCmix+
49 Num Peaks: 1 54 Num Peaks: 1
50 131.025132008091 100 55 131.025132008091 100
51 56
52 NAME: Gemcitabine (M+H) 57 NAME: Gemcitabine (M+H)
53 msLevel: MS1 58 msLevel: MS1
55 FORMULA: C9H11N3O4F2 60 FORMULA: C9H11N3O4F2
56 charge: 1 61 charge: 1
57 ionization_mode: positive 62 ionization_mode: positive
58 precursor_mz: 264.079038272 63 precursor_mz: 264.079038272
59 retention_time: 1.1 64 retention_time: 1.1
65 group: QCmix+
60 Num Peaks: 1 66 Num Peaks: 1
61 264.079038714091 100 67 264.079038714091 100
62 68
63 NAME: Cyclophosphamide (M+H) 69 NAME: Cyclophosphamide (M+H)
64 msLevel: MS1 70 msLevel: MS1
66 FORMULA: C7H15N2O2Cl2P1 72 FORMULA: C7H15N2O2Cl2P1
67 charge: 1 73 charge: 1
68 ionization_mode: positive 74 ionization_mode: positive
69 precursor_mz: 261.03209571 75 precursor_mz: 261.03209571
70 retention_time: 4.2 76 retention_time: 4.2
77 group: QCmix+
71 Num Peaks: 3 78 Num Peaks: 3
72 261.032096102091 100 79 261.032096102091 100
73 263.029145992091 63.9915522703273 80 263.029145992091 63.9915522703273
74 265.026195882091 10.2372969049151 81 265.026195882091 10.2372969049151
75 82
79 FORMULA: C9H13N3O5 86 FORMULA: C9H13N3O5
80 charge: 1 87 charge: 1
81 ionization_mode: positive 88 ionization_mode: positive
82 precursor_mz: 244.092796516 89 precursor_mz: 244.092796516
83 retention_time: 0.8 90 retention_time: 0.8
91 group: QCmix+
84 Num Peaks: 1 92 Num Peaks: 1
85 244.092796998091 100 93 244.092796998091 100
86 94
87 NAME: Ifosfamide (M+H) 95 NAME: Ifosfamide (M+H)
88 msLevel: MS1 96 msLevel: MS1
90 FORMULA: C7H15N2O2Cl2P1 98 FORMULA: C7H15N2O2Cl2P1
91 charge: 1 99 charge: 1
92 ionization_mode: positive 100 ionization_mode: positive
93 precursor_mz: 261.03209571 101 precursor_mz: 261.03209571
94 retention_time: 3.9 102 retention_time: 3.9
103 group: QCmix+
95 Num Peaks: 3 104 Num Peaks: 3
96 261.032096102091 100 105 261.032096102091 100
97 263.029145992091 63.9915522703273 106 263.029145992091 63.9915522703273
98 265.026195882091 10.2372969049151 107 265.026195882091 10.2372969049151
99 108
102 PRECURSORTYPE: [M+H]+ 111 PRECURSORTYPE: [M+H]+
103 FORMULA: C12H14N2 112 FORMULA: C12H14N2
104 charge: 1 113 charge: 1
105 ionization_mode: positive 114 ionization_mode: positive
106 precursor_mz: 187.122974448 115 precursor_mz: 187.122974448
116 group: QCmix+
107 Num Peaks: 2 117 Num Peaks: 2
108 187.122974920091 100 118 187.122974920091 100
109 188.126329760091 12.9788739512787 119 188.126329760091 12.9788739512787
110 120
111 NAME: Acetaminophen sulfate (M+H) 121 NAME: Acetaminophen sulfate (M+H)
114 FORMULA: C8H9N1O5S1 124 FORMULA: C8H9N1O5S1
115 charge: 1 125 charge: 1
116 ionization_mode: positive 126 ionization_mode: positive
117 precursor_mz: 232.027419388 127 precursor_mz: 232.027419388
118 retention_time: 0.5 128 retention_time: 0.5
129 group: QCmix+
119 Num Peaks: 1 130 Num Peaks: 1
120 232.027419580091 100 131 232.027419580091 100
121 132
122 NAME: Acetaminophen mercapturate (M+H) 133 NAME: Acetaminophen mercapturate (M+H)
123 msLevel: MS1 134 msLevel: MS1
125 FORMULA: C13H16N2O5S1 136 FORMULA: C13H16N2O5S1
126 charge: 1 137 charge: 1
127 ionization_mode: positive 138 ionization_mode: positive
128 precursor_mz: 313.085268612 139 precursor_mz: 313.085268612
129 retention_time: 2.3 140 retention_time: 2.3
141 group: QCmix+
130 Num Peaks: 2 142 Num Peaks: 2
131 313.085268814091 100 143 313.085268814091 100
132 314.088623654091 14.0604467805519 144 314.088623654091 14.0604467805519
133 145
134 NAME: Resorcinol (M+H) 146 NAME: Resorcinol (M+H)
136 PRECURSORTYPE: [M+H]+ 148 PRECURSORTYPE: [M+H]+
137 FORMULA: C6H6O2 149 FORMULA: C6H6O2
138 charge: 1 150 charge: 1
139 ionization_mode: positive 151 ionization_mode: positive
140 precursor_mz: 111.044055432 152 precursor_mz: 111.044055432
153 group: QCmix+
141 Num Peaks: 1 154 Num Peaks: 1
142 111.044055884091 100 155 111.044055884091 100
143 156
144 NAME: Caffeic acid 3-O-sulfate (M+H) 157 NAME: Caffeic acid 3-O-sulfate (M+H)
145 msLevel: MS1 158 msLevel: MS1
146 PRECURSORTYPE: [M+H]+ 159 PRECURSORTYPE: [M+H]+
147 FORMULA: C9H8O7S1 160 FORMULA: C9H8O7S1
148 charge: 1 161 charge: 1
149 ionization_mode: positive 162 ionization_mode: positive
150 precursor_mz: 261.006349596 163 precursor_mz: 261.006349596
164 group: QCmix+
151 Num Peaks: 1 165 Num Peaks: 1
152 261.006349778091 100 166 261.006349778091 100
153 167
154 NAME: Omethoate (M+H) 168 NAME: Omethoate (M+H)
155 msLevel: MS1 169 msLevel: MS1
157 FORMULA: C5H12N1O4P1S1 171 FORMULA: C5H12N1O4P1S1
158 charge: 1 172 charge: 1
159 ionization_mode: positive 173 ionization_mode: positive
160 precursor_mz: 214.029741494 174 precursor_mz: 214.029741494
161 retention_time: 1.3 175 retention_time: 1.3
176 group: QCmix+
162 Num Peaks: 1 177 Num Peaks: 1
163 214.029741546091 100 178 214.029741546091 100
164 179
165 NAME: Malathion dicarboxylic Acid (M+H) 180 NAME: Malathion dicarboxylic Acid (M+H)
166 msLevel: MS1 181 msLevel: MS1
168 FORMULA: C6H11O6P1S2 183 FORMULA: C6H11O6P1S2
169 charge: 1 184 charge: 1
170 ionization_mode: positive 185 ionization_mode: positive
171 precursor_mz: 274.980742702 186 precursor_mz: 274.980742702
172 retention_time: 4.3 187 retention_time: 4.3
188 group: QCmix+
173 Num Peaks: 1 189 Num Peaks: 1
174 274.980742474091 100 190 274.980742474091 100
175 191
176 NAME: 4-Nitrophenol (M+H) 192 NAME: 4-Nitrophenol (M+H)
177 msLevel: MS1 193 msLevel: MS1
178 PRECURSORTYPE: [M+H]+ 194 PRECURSORTYPE: [M+H]+
179 FORMULA: C6H5N1O3 195 FORMULA: C6H5N1O3
180 charge: 1 196 charge: 1
181 ionization_mode: positive 197 ionization_mode: positive
182 precursor_mz: 140.03421902 198 precursor_mz: 140.03421902
199 group: QCmix+
183 Num Peaks: 1 200 Num Peaks: 1
184 140.034219482091 100 201 140.034219482091 100
185 202
186 NAME: 2-(diethylamino)-6-methylpyrimidin-4-ol (M+H) 203 NAME: 2-(diethylamino)-6-methylpyrimidin-4-ol (M+H)
187 msLevel: MS1 204 msLevel: MS1
189 FORMULA: C9H15N3O1 206 FORMULA: C9H15N3O1
190 charge: 1 207 charge: 1
191 ionization_mode: positive 208 ionization_mode: positive
192 precursor_mz: 182.1287881 209 precursor_mz: 182.1287881
193 retention_time: 1.6 210 retention_time: 1.6
211 group: QCmix+
194 Num Peaks: 1 212 Num Peaks: 1
195 182.128788582091 100 213 182.128788582091 100
196 214
197 NAME: O,O-Dimethyldithiophosphate (M+H) 215 NAME: O,O-Dimethyldithiophosphate (M+H)
198 msLevel: MS1 216 msLevel: MS1
200 FORMULA: C2H7O2P1S2 218 FORMULA: C2H7O2P1S2
201 charge: 1 219 charge: 1
202 ionization_mode: positive 220 ionization_mode: positive
203 precursor_mz: 158.969784094 221 precursor_mz: 158.969784094
204 retention_time: 4.3 222 retention_time: 4.3
223 group: QCmix+
205 Num Peaks: 1 224 Num Peaks: 1
206 158.969783866091 100 225 158.969783866091 100
207 226
208 NAME: 1,3-Dichloro-2-propanol (M+H) 227 NAME: 1,3-Dichloro-2-propanol (M+H)
209 msLevel: MS1 228 msLevel: MS1
210 PRECURSORTYPE: [M+H]+ 229 PRECURSORTYPE: [M+H]+
211 FORMULA: C3H6O1Cl2 230 FORMULA: C3H6O1Cl2
212 charge: 1 231 charge: 1
213 ionization_mode: positive 232 ionization_mode: positive
214 precursor_mz: 128.986846172 233 precursor_mz: 128.986846172
234 group: QCmix+
215 Num Peaks: 3 235 Num Peaks: 3
216 128.986846684091 100 236 128.986846684091 100
217 130.983896574091 63.9915522703273 237 130.983896574091 63.9915522703273
218 132.980946464091 10.2372969049151 238 132.980946464091 10.2372969049151
219 239
223 FORMULA: C8H9N1O2 243 FORMULA: C8H9N1O2
224 charge: 1 244 charge: 1
225 ionization_mode: positive 245 ionization_mode: positive
226 precursor_mz: 152.070604528 246 precursor_mz: 152.070604528
227 retention_time: 1.5 247 retention_time: 1.5
248 group: QCmix+
228 Num Peaks: 1 249 Num Peaks: 1
229 152.070604990091 100 250 152.070604990091 100
230 251
231 NAME: Methylparaben (M+H) 252 NAME: Methylparaben (M+H)
232 msLevel: MS1 253 msLevel: MS1
234 FORMULA: C8H8O3 255 FORMULA: C8H8O3
235 charge: 1 256 charge: 1
236 ionization_mode: positive 257 ionization_mode: positive
237 precursor_mz: 153.054620116 258 precursor_mz: 153.054620116
238 retention_time: 6.8 259 retention_time: 6.8
260 group: QCmix+
239 Num Peaks: 1 261 Num Peaks: 1
240 153.054620568091 100 262 153.054620568091 100
241 263
242 NAME: Butylparaben (M+H) 264 NAME: Butylparaben (M+H)
243 msLevel: MS1 265 msLevel: MS1
245 FORMULA: C11H14O3 267 FORMULA: C11H14O3
246 charge: 1 268 charge: 1
247 ionization_mode: positive 269 ionization_mode: positive
248 precursor_mz: 195.101570308 270 precursor_mz: 195.101570308
249 retention_time: 6.8 271 retention_time: 6.8
272 group: QCmix+
250 Num Peaks: 2 273 Num Peaks: 2
251 195.101570760091 100 274 195.101570760091 100
252 196.104925600091 11.8973011220055 275 196.104925600091 11.8973011220055
253 276
254 NAME: Bentazone (M+H) 277 NAME: Bentazone (M+H)
256 PRECURSORTYPE: [M+H]+ 279 PRECURSORTYPE: [M+H]+
257 FORMULA: C10H12N2O3S1 280 FORMULA: C10H12N2O3S1
258 charge: 1 281 charge: 1
259 ionization_mode: positive 282 ionization_mode: positive
260 precursor_mz: 241.064139244 283 precursor_mz: 241.064139244
284 group: QCmix+
261 Num Peaks: 2 285 Num Peaks: 2
262 241.064139446091 100 286 241.064139446091 100
263 242.067494286091 10.8157282927322 287 242.067494286091 10.8157282927322
264 288
265 NAME: 2,4-Dihydroxybenzophenone (M+H) 289 NAME: 2,4-Dihydroxybenzophenone (M+H)
268 FORMULA: C13H10O3 292 FORMULA: C13H10O3
269 charge: 1 293 charge: 1
270 ionization_mode: positive 294 ionization_mode: positive
271 precursor_mz: 215.07027018 295 precursor_mz: 215.07027018
272 retention_time: 7.2 296 retention_time: 7.2
297 group: QCmix+
273 Num Peaks: 2 298 Num Peaks: 2
274 215.070270632091 100 299 215.070270632091 100
275 216.073625472091 14.0604467805519 300 216.073625472091 14.0604467805519
276 301
277 NAME: 2,6-Diethylaniline (M+H) 302 NAME: 2,6-Diethylaniline (M+H)
280 FORMULA: C10H15N1 305 FORMULA: C10H15N1
281 charge: 1 306 charge: 1
282 ionization_mode: positive 307 ionization_mode: positive
283 precursor_mz: 150.12772548 308 precursor_mz: 150.12772548
284 retention_time: 5.1 309 retention_time: 5.1
310 group: QCmix+
285 Num Peaks: 2 311 Num Peaks: 2
286 150.127725942091 100 312 150.127725942091 100
287 151.131080782091 10.8157282927322 313 151.131080782091 10.8157282927322
288 314
289 NAME: DEET (M+H) 315 NAME: DEET (M+H)
292 FORMULA: C12H17N1O1 318 FORMULA: C12H17N1O1
293 charge: 1 319 charge: 1
294 ionization_mode: positive 320 ionization_mode: positive
295 precursor_mz: 192.138290164 321 precursor_mz: 192.138290164
296 retention_time: 5.8 322 retention_time: 5.8
323 group: QCmix+
297 Num Peaks: 2 324 Num Peaks: 2
298 192.138290626091 100 325 192.138290626091 100
299 193.141645466091 12.9788739512787 326 193.141645466091 12.9788739512787
300 327
301 NAME: 2,4-Dichlorophenol (M+H) 328 NAME: 2,4-Dichlorophenol (M+H)
304 FORMULA: C6H4O1Cl2 331 FORMULA: C6H4O1Cl2
305 charge: 1 332 charge: 1
306 ionization_mode: positive 333 ionization_mode: positive
307 precursor_mz: 162.971196108 334 precursor_mz: 162.971196108
308 retention_time: 0.8 335 retention_time: 0.8
336 group: QCmix+
309 Num Peaks: 3 337 Num Peaks: 3
310 162.971196620091 100 338 162.971196620091 100
311 164.968246510091 63.9915522703273 339 164.968246510091 63.9915522703273
312 166.965296400091 10.2372969049151 340 166.965296400091 10.2372969049151
313 341
317 FORMULA: C13H10O3 345 FORMULA: C13H10O3
318 charge: 1 346 charge: 1
319 ionization_mode: positive 347 ionization_mode: positive
320 precursor_mz: 215.07027018 348 precursor_mz: 215.07027018
321 retention_time: 7.16 349 retention_time: 7.16
350 group: QCmix+
322 Num Peaks: 2 351 Num Peaks: 2
323 215.070270632091 100 352 215.070270632091 100
324 216.073625472091 14.0604467805519 353 216.073625472091 14.0604467805519
325 354
326 NAME: 3,5,6-Trichloro-2-pyridinol (M+H) 355 NAME: 3,5,6-Trichloro-2-pyridinol (M+H)
329 FORMULA: C5H2N1O1Cl3 358 FORMULA: C5H2N1O1Cl3
330 charge: 1 359 charge: 1
331 ionization_mode: positive 360 ionization_mode: positive
332 precursor_mz: 197.927472724 361 precursor_mz: 197.927472724
333 retention_time: 6.8 362 retention_time: 6.8
363 group: QCmix+
334 Num Peaks: 3 364 Num Peaks: 3
335 197.927473276091 100 365 197.927473276091 100
336 199.924523166091 95.987328405491 366 199.924523166091 95.987328405491
337 201.921573056091 30.7118907147453 367 201.921573056091 30.7118907147453
338 368
341 PRECURSORTYPE: [M+H]+ 371 PRECURSORTYPE: [M+H]+
342 FORMULA: C6H1O3F13S1 372 FORMULA: C6H1O3F13S1
343 charge: 1 373 charge: 1
344 ionization_mode: positive 374 ionization_mode: positive
345 precursor_mz: 400.951157752 375 precursor_mz: 400.951157752
376 group: QCmix+
346 Num Peaks: 1 377 Num Peaks: 1
347 400.951157674091 100 378 400.951157674091 100
348 379
349 NAME: 2,4-Dibromophenol (M+H) 380 NAME: 2,4-Dibromophenol (M+H)
350 msLevel: MS1 381 msLevel: MS1
351 PRECURSORTYPE: [M+H]+ 382 PRECURSORTYPE: [M+H]+
352 FORMULA: C6H4O1Br2 383 FORMULA: C6H4O1Br2
353 charge: 1 384 charge: 1
354 ionization_mode: positive 385 ionization_mode: positive
355 precursor_mz: 250.870164948 386 precursor_mz: 250.870164948
387 group: QCmix+
356 Num Peaks: 3 388 Num Peaks: 3
357 250.870167000091 51.3993104846887 389 250.870167000091 51.3993104846887
358 252.868120100091 100 390 252.868120100091 100
359 254.866073200091 48.6387847701716 391 254.866073200091 48.6387847701716
360 392
364 FORMULA: C15H16O2 396 FORMULA: C15H16O2
365 charge: 1 397 charge: 1
366 ionization_mode: positive 398 ionization_mode: positive
367 precursor_mz: 229.122305752 399 precursor_mz: 229.122305752
368 retention_time: 7.1 400 retention_time: 7.1
401 group: QCmix+
369 Num Peaks: 2 402 Num Peaks: 2
370 229.122306204091 100 403 229.122306204091 100
371 230.125661044091 16.2235924390984 404 230.125661044091 16.2235924390984
372 405
373 NAME: Benzophenone (M+H) 406 NAME: Benzophenone (M+H)
376 FORMULA: C13H10O1 409 FORMULA: C13H10O1
377 charge: 1 410 charge: 1
378 ionization_mode: positive 411 ionization_mode: positive
379 precursor_mz: 183.08044094 412 precursor_mz: 183.08044094
380 retention_time: 7.2 413 retention_time: 7.2
414 group: QCmix+
381 Num Peaks: 2 415 Num Peaks: 2
382 183.080441392091 100 416 183.080441392091 100
383 184.083796232091 14.0604467805519 417 184.083796232091 14.0604467805519
384 418
385 NAME: Tris(1,3-dichloro-2-propyl) phosphate (M+H) 419 NAME: Tris(1,3-dichloro-2-propyl) phosphate (M+H)
388 FORMULA: C9H15O4Cl6P1 422 FORMULA: C9H15O4Cl6P1
389 charge: 1 423 charge: 1
390 ionization_mode: positive 424 ionization_mode: positive
391 precursor_mz: 428.89118767 425 precursor_mz: 428.89118767
392 retention_time: 7.4 426 retention_time: 7.4
427 group: QCmix+
393 Num Peaks: 4 428 Num Peaks: 4
394 428.891188162091 52.0902090209021 429 428.891188162091 52.0902090209021
395 430.888238052091 100 430 430.888238052091 100
396 432.885287942091 79.9894403379092 431 432.885287942091 79.9894403379092
397 434.882337832091 34.1243230163836 432 434.882337832091 34.1243230163836
401 PRECURSORTYPE: [M+H]+ 436 PRECURSORTYPE: [M+H]+
402 FORMULA: C13H18O2 437 FORMULA: C13H18O2
403 charge: 1 438 charge: 1
404 ionization_mode: positive 439 ionization_mode: positive
405 precursor_mz: 207.137955816 440 precursor_mz: 207.137955816
441 group: QCmix+
406 Num Peaks: 2 442 Num Peaks: 2
407 207.137956268091 100 443 207.137956268091 100
408 208.141311108091 14.0604467805519 444 208.141311108091 14.0604467805519
409 445
410 NAME: Ipconazole (M+H) 446 NAME: Ipconazole (M+H)
413 FORMULA: C18H24N3O1Cl1 449 FORMULA: C18H24N3O1Cl1
414 charge: 1 450 charge: 1
415 ionization_mode: positive 451 ionization_mode: positive
416 precursor_mz: 334.168066068 452 precursor_mz: 334.168066068
417 retention_time: 7.6 453 retention_time: 7.6
454 group: QCmix+
418 Num Peaks: 3 455 Num Peaks: 3
419 334.168066580091 100 456 334.168066580091 100
420 335.171421420091 19.468310926918 457 335.171421420091 19.468310926918
421 336.165116470091 31.9957761351637 458 336.165116470091 31.9957761351637
422 459
426 FORMULA: C12H14O4Cl3P1 463 FORMULA: C12H14O4Cl3P1
427 charge: 1 464 charge: 1
428 ionization_mode: positive 465 ionization_mode: positive
429 precursor_mz: 358.976804598 466 precursor_mz: 358.976804598
430 retention_time: 7.4 467 retention_time: 7.4
468 group: QCmix+
431 Num Peaks: 5 469 Num Peaks: 5
432 358.976805000091 100 470 358.976805000091 100
433 359.980159840091 12.9788739512787 471 359.980159840091 12.9788739512787
434 360.973854890091 95.987328405491 472 360.973854890091 95.987328405491
435 361.977209730091 12.4580743629486 473 361.977209730091 12.4580743629486
441 FORMULA: C12H4N4O2Cl2F6S1 479 FORMULA: C12H4N4O2Cl2F6S1
442 charge: 1 480 charge: 1
443 ionization_mode: positive 481 ionization_mode: positive
444 precursor_mz: 452.940897048 482 precursor_mz: 452.940897048
445 retention_time: 7.24 483 retention_time: 7.24
484 group: QCmix+
446 Num Peaks: 4 485 Num Peaks: 4
447 452.940897210091 100 486 452.940897210091 100
448 453.944252050091 12.9788739512787 487 453.944252050091 12.9788739512787
449 454.937947100091 63.9915522703273 488 454.937947100091 63.9915522703273
450 456.934996990091 10.2372969049151 489 456.934996990091 10.2372969049151
454 PRECURSORTYPE: [M+H]+ 493 PRECURSORTYPE: [M+H]+
455 FORMULA: C6H2O1Cl4 494 FORMULA: C6H2O1Cl4
456 charge: 1 495 charge: 1
457 ionization_mode: positive 496 ionization_mode: positive
458 precursor_mz: 230.893251404 497 precursor_mz: 230.893251404
498 group: QCmix+
459 Num Peaks: 4 499 Num Peaks: 4
460 230.893251976091 78.1353135313531 500 230.893251976091 78.1353135313531
461 232.890301866091 100 501 232.890301866091 100
462 234.887351756091 47.9936642027455 502 234.887351756091 47.9936642027455
463 236.884401646091 10.2372969049151 503 236.884401646091 10.2372969049151
467 PRECURSORTYPE: [M+H]+ 507 PRECURSORTYPE: [M+H]+
468 FORMULA: C9H15O4Br6P1 508 FORMULA: C9H15O4Br6P1
469 charge: 1 509 charge: 1
470 ionization_mode: positive 510 ionization_mode: positive
471 precursor_mz: 692.58809419 511 precursor_mz: 692.58809419
512 group: QCmix+
472 Num Peaks: 5 513 Num Peaks: 5
473 694.586052402091 31.7026694196172 514 694.586052402091 31.7026694196172
474 696.584005502091 77.0989657270331 515 696.584005502091 77.0989657270331
475 698.581958602091 100 516 698.581958602091 100
476 700.579911702091 72.9581771552574 517 700.579911702091 72.9581771552574
482 FORMULA: C16H22O4 523 FORMULA: C16H22O4
483 charge: 1 524 charge: 1
484 ionization_mode: positive 525 ionization_mode: positive
485 precursor_mz: 279.159085184 526 precursor_mz: 279.159085184
486 retention_time: 8.04 527 retention_time: 8.04
528 group: QCmix+
487 Num Peaks: 2 529 Num Peaks: 2
488 279.159085636091 100 530 279.159085636091 100
489 280.162440476091 17.3051652683716 531 280.162440476091 17.3051652683716
490 532
491 NAME: Fipronil (M+H) 533 NAME: Fipronil (M+H)
494 FORMULA: C12H4N4O1Cl2F6S1 536 FORMULA: C12H4N4O1Cl2F6S1
495 charge: 1 537 charge: 1
496 ionization_mode: positive 538 ionization_mode: positive
497 precursor_mz: 436.945982428 539 precursor_mz: 436.945982428
498 retention_time: 7.07 540 retention_time: 7.07
541 group: QCmix+
499 Num Peaks: 4 542 Num Peaks: 4
500 436.945982590091 100 543 436.945982590091 100
501 437.949337430091 12.9788739512787 544 437.949337430091 12.9788739512787
502 438.943032480091 63.9915522703273 545 438.943032480091 63.9915522703273
503 440.940082370091 10.2372969049151 546 440.940082370091 10.2372969049151
504 547
548 NAME: Fipronil (M+H)
549 msLevel: MS1
550 PRECURSORTYPE: [M+H]+
551 FORMULA: C12H4N4O1Cl2F6S1
552 charge: 1
553 ionization_mode: positive
554 precursor_mz: 436.945982428
555 retention_time: 7.07
556 group: PM5+
557 Num Peaks: 4
558 436.945982590091 100
559 437.949337430091 12.9788739512787
560 438.943032480091 63.9915522703273
561 440.940082370091 10.2372969049151
562
505 NAME: Perfluorooctanesulfonic acid (M+H) 563 NAME: Perfluorooctanesulfonic acid (M+H)
506 msLevel: MS1 564 msLevel: MS1
507 PRECURSORTYPE: [M+H]+ 565 PRECURSORTYPE: [M+H]+
508 FORMULA: C8H1O3F17S1 566 FORMULA: C8H1O3F17S1
509 charge: 1 567 charge: 1
510 ionization_mode: positive 568 ionization_mode: positive
511 precursor_mz: 500.944770632 569 precursor_mz: 500.944770632
570 group: QCmix+
512 Num Peaks: 1 571 Num Peaks: 1
513 500.944770474091 100 572 500.944770474091 100
514 573
515 NAME: 2,3,4,5-Tetrabromophenol (M+H) 574 NAME: 2,3,4,5-Tetrabromophenol (M+H)
516 msLevel: MS1 575 msLevel: MS1
517 PRECURSORTYPE: [M+H]+ 576 PRECURSORTYPE: [M+H]+
518 FORMULA: C6H2O1Br4 577 FORMULA: C6H2O1Br4
519 charge: 1 578 charge: 1
520 ionization_mode: positive 579 ionization_mode: positive
521 precursor_mz: 406.691189084 580 precursor_mz: 406.691189084
581 group: QCmix+
522 Num Peaks: 5 582 Num Peaks: 5
523 406.691192736091 17.6125941220095 583 406.691192736091 17.6125941220095
524 408.689145836091 68.5324139795849 584 408.689145836091 68.5324139795849
525 410.687098936091 100 585 410.687098936091 100
526 412.685052036091 64.8517130268955 586 412.685052036091 64.8517130268955
531 PRECURSORTYPE: [M+H]+ 591 PRECURSORTYPE: [M+H]+
532 FORMULA: C8H1O2F15 592 FORMULA: C8H1O2F15
533 charge: 1 593 charge: 1
534 ionization_mode: positive 594 ionization_mode: positive
535 precursor_mz: 414.980978572 595 precursor_mz: 414.980978572
596 group: QCmix+
536 Num Peaks: 1 597 Num Peaks: 1
537 414.980978724091 100 598 414.980978724091 100
538 599
539 NAME: Triclosan (M+H) 600 NAME: Triclosan (M+H)
540 msLevel: MS1 601 msLevel: MS1
542 FORMULA: C12H7O2Cl3 603 FORMULA: C12H7O2Cl3
543 charge: 1 604 charge: 1
544 ionization_mode: positive 605 ionization_mode: positive
545 precursor_mz: 288.958438504 606 precursor_mz: 288.958438504
546 retention_time: 5.65 607 retention_time: 5.65
608 group: QCmix+
547 Num Peaks: 5 609 Num Peaks: 5
548 288.958439046091 100 610 288.958439046091 100
549 289.961793886091 12.9788739512787 611 289.961793886091 12.9788739512787
550 290.955488936091 95.987328405491 612 290.955488936091 95.987328405491
551 291.958843776091 12.4580743629486 613 291.958843776091 12.4580743629486
556 PRECURSORTYPE: [M+H]+ 618 PRECURSORTYPE: [M+H]+
557 FORMULA: C9H1O2F17 619 FORMULA: C9H1O2F17
558 charge: 1 620 charge: 1
559 ionization_mode: positive 621 ionization_mode: positive
560 precursor_mz: 464.977785012 622 precursor_mz: 464.977785012
623 group: QCmix+
561 Num Peaks: 1 624 Num Peaks: 1
562 464.977785124091 100 625 464.977785124091 100
563 626
564 NAME: Paclitaxel (M+H) 627 NAME: Paclitaxel (M+H)
565 msLevel: MS1 628 msLevel: MS1
567 FORMULA: C47H51N1O14 630 FORMULA: C47H51N1O14
568 charge: 1 631 charge: 1
569 ionization_mode: positive 632 ionization_mode: positive
570 precursor_mz: 854.338231312 633 precursor_mz: 854.338231312
571 retention_time: 8 634 retention_time: 8
635 group: QCmix+
572 Num Peaks: 3 636 Num Peaks: 3
573 854.338231774091 100 637 854.338231774091 100
574 855.341586614091 50.8339229758415 638 855.341586614091 50.8339229758415
575 856.344941454091 12.6455356760887 639 856.344941454091 12.6455356760887
576 640
580 FORMULA: C14H17N1O8 644 FORMULA: C14H17N1O8
581 charge: 1 645 charge: 1
582 ionization_mode: positive 646 ionization_mode: positive
583 precursor_mz: 328.102692504 647 precursor_mz: 328.102692504
584 retention_time: 3 648 retention_time: 3
649 group: QCmix+
585 Num Peaks: 2 650 Num Peaks: 2
586 328.102692966091 100 651 328.102692966091 100
587 329.106047806091 15.1420196098251 652 329.106047806091 15.1420196098251
588 653
589 NAME: Lidocaine (M+H) 654 NAME: Lidocaine (M+H)
592 FORMULA: C14H22N2O1 657 FORMULA: C14H22N2O1
593 charge: 1 658 charge: 1
594 ionization_mode: positive 659 ionization_mode: positive
595 precursor_mz: 235.180489324 660 precursor_mz: 235.180489324
596 retention_time: 1.7 661 retention_time: 1.7
662 group: QCmix+
597 Num Peaks: 2 663 Num Peaks: 2
598 235.180489796091 100 664 235.180489796091 100
599 236.183844636091 15.1420196098251 665 236.183844636091 15.1420196098251
600 666
601 NAME: Bis(1,3-dichloro-2-propyl) phosphate (M+H) 667 NAME: Bis(1,3-dichloro-2-propyl) phosphate (M+H)
604 FORMULA: C6H11O4Cl4P1 670 FORMULA: C6H11O4Cl4P1
605 charge: 1 671 charge: 1
606 ionization_mode: positive 672 ionization_mode: positive
607 precursor_mz: 318.922182182 673 precursor_mz: 318.922182182
608 retention_time: 6.3 674 retention_time: 6.3
675 group: QCmix+
609 Num Peaks: 4 676 Num Peaks: 4
610 318.922182614091 78.1353135313531 677 318.922182614091 78.1353135313531
611 320.919232504091 100 678 320.919232504091 100
612 322.916282394091 47.9936642027455 679 322.916282394091 47.9936642027455
613 324.913332284091 10.2372969049151 680 324.913332284091 10.2372969049151
618 FORMULA: C33H38N4O6 685 FORMULA: C33H38N4O6
619 charge: 1 686 charge: 1
620 ionization_mode: positive 687 ionization_mode: positive
621 precursor_mz: 587.286410936 688 precursor_mz: 587.286410936
622 retention_time: 6.8 689 retention_time: 6.8
690 group: QCmix+
623 Num Peaks: 2 691 Num Peaks: 2
624 587.286411428091 100 692 587.286411428091 100
625 588.289766268091 35.6919033660164 693 588.289766268091 35.6919033660164
626 694
627 NAME: 5-Azacytidine (M+H) 695 NAME: 5-Azacytidine (M+H)
629 PRECURSORTYPE: [M+H]+ 697 PRECURSORTYPE: [M+H]+
630 FORMULA: C8H12N4O5 698 FORMULA: C8H12N4O5
631 charge: 1 699 charge: 1
632 ionization_mode: positive 700 ionization_mode: positive
633 precursor_mz: 245.088045484 701 precursor_mz: 245.088045484
702 group: QCmix+
634 Num Peaks: 1 703 Num Peaks: 1
635 245.088045976091 100 704 245.088045976091 100
636 705
637 NAME: Dacarbazine (M+H) 706 NAME: Dacarbazine (M+H)
638 msLevel: MS1 707 msLevel: MS1
640 FORMULA: C6H10N6O1 709 FORMULA: C6H10N6O1
641 charge: 1 710 charge: 1
642 ionization_mode: positive 711 ionization_mode: positive
643 precursor_mz: 183.09888494 712 precursor_mz: 183.09888494
644 retention_time: 1 713 retention_time: 1
714 group: QCmix+
645 Num Peaks: 1 715 Num Peaks: 1
646 183.098885452091 100 716 183.098885452091 100
647 717
648 NAME: 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane (M+H) 718 NAME: 1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane (M+H)
649 msLevel: MS1 719 msLevel: MS1
650 PRECURSORTYPE: [M+H]+ 720 PRECURSORTYPE: [M+H]+
651 FORMULA: C4H3O1F7 721 FORMULA: C4H3O1F7
652 charge: 1 722 charge: 1
653 ionization_mode: positive 723 ionization_mode: positive
654 precursor_mz: 201.014488256 724 precursor_mz: 201.014488256
725 group: QCmix+
655 Num Peaks: 1 726 Num Peaks: 1
656 201.014488568091 100 727 201.014488568091 100
657 728
658 NAME: Tamoxifen Citrate (M+H) 729 NAME: Tamoxifen Citrate (M+H)
659 msLevel: MS1 730 msLevel: MS1
661 FORMULA: C26H29N1O1 732 FORMULA: C26H29N1O1
662 charge: 1 733 charge: 1
663 ionization_mode: positive 734 ionization_mode: positive
664 precursor_mz: 372.232190548 735 precursor_mz: 372.232190548
665 retention_time: 7.1 736 retention_time: 7.1
737 group: QCmix+
666 Num Peaks: 2 738 Num Peaks: 2
667 372.232191010091 100 739 372.232191010091 100
668 373.235545850091 28.1208935611038 740 373.235545850091 28.1208935611038
669 741
670 NAME: Amoxicillin (M+H) 742 NAME: Amoxicillin (M+H)
673 FORMULA: C16H19N3O5S1 745 FORMULA: C16H19N3O5S1
674 charge: 1 746 charge: 1
675 ionization_mode: positive 747 ionization_mode: positive
676 precursor_mz: 366.111817708 748 precursor_mz: 366.111817708
677 retention_time: 1.2 749 retention_time: 1.2
750 group: QCmix+
678 Num Peaks: 2 751 Num Peaks: 2
679 366.111817920091 100 752 366.111817920091 100
680 367.115172760091 17.3051652683716 753 367.115172760091 17.3051652683716
681 754
682 NAME: Bisphenol S Bis-b-d-Glucuronide (M+H) 755 NAME: Bisphenol S Bis-b-d-Glucuronide (M+H)
684 PRECURSORTYPE: [M+H]+ 757 PRECURSORTYPE: [M+H]+
685 FORMULA: C24H26O16S1 758 FORMULA: C24H26O16S1
686 charge: 1 759 charge: 1
687 ionization_mode: positive 760 ionization_mode: positive
688 precursor_mz: 603.101431752 761 precursor_mz: 603.101431752
762 group: QCmix+
689 Num Peaks: 2 763 Num Peaks: 2
690 603.101431934091 100 764 603.101431934091 100
691 604.104786774091 25.9577479025574 765 604.104786774091 25.9577479025574
692 766
693 NAME: Pentafluoroethanesulfonic acid (M+H) 767 NAME: Pentafluoroethanesulfonic acid (M+H)
695 PRECURSORTYPE: [M+H]+ 769 PRECURSORTYPE: [M+H]+
696 FORMULA: C2H1O3F5S1 770 FORMULA: C2H1O3F5S1
697 charge: 1 771 charge: 1
698 ionization_mode: positive 772 ionization_mode: positive
699 precursor_mz: 200.963931992 773 precursor_mz: 200.963931992
774 group: QCmix+
700 Num Peaks: 1 775 Num Peaks: 1
701 200.963932074091 100 776 200.963932074091 100
702 777
703 NAME: Crotetamide (M+H) 778 NAME: Crotetamide (M+H)
704 msLevel: MS1 779 msLevel: MS1
706 FORMULA: C12H22N2O2 781 FORMULA: C12H22N2O2
707 charge: 1 782 charge: 1
708 ionization_mode: positive 783 ionization_mode: positive
709 precursor_mz: 227.175403944 784 precursor_mz: 227.175403944
710 retention_time: 4.2 785 retention_time: 4.2
786 group: QCmix+
711 Num Peaks: 2 787 Num Peaks: 2
712 227.175404416091 100 788 227.175404416091 100
713 228.178759256091 12.9788739512787 789 228.178759256091 12.9788739512787
714 790
715 NAME: Deoxynivalenol (M+H) 791 NAME: Deoxynivalenol (M+H)
718 FORMULA: C15H20O6 794 FORMULA: C15H20O6
719 charge: 1 795 charge: 1
720 ionization_mode: positive 796 ionization_mode: positive
721 precursor_mz: 297.13326436 797 precursor_mz: 297.13326436
722 retention_time: 2.2 798 retention_time: 2.2
799 group: QCmix+
723 Num Peaks: 2 800 Num Peaks: 2
724 297.133264812091 100 801 297.133264812091 100
725 298.136619652091 16.2235924390984 802 298.136619652091 16.2235924390984
726 803
727 NAME: Cotinine (M+H) 804 NAME: Cotinine (M+H)
730 FORMULA: C10H12N2O1 807 FORMULA: C10H12N2O1
731 charge: 1 808 charge: 1
732 ionization_mode: positive 809 ionization_mode: positive
733 precursor_mz: 177.102239004 810 precursor_mz: 177.102239004
734 retention_time: 1 811 retention_time: 1
812 group: QCmix+
735 Num Peaks: 2 813 Num Peaks: 2
736 177.102239476091 100 814 177.102239476091 100
737 178.105594316091 10.8157282927322 815 178.105594316091 10.8157282927322
738 816
739 NAME: Hydroxycotinine (M+H) 817 NAME: Hydroxycotinine (M+H)
742 FORMULA: C10H12N2O2 820 FORMULA: C10H12N2O2
743 charge: 1 821 charge: 1
744 ionization_mode: positive 822 ionization_mode: positive
745 precursor_mz: 193.097153624 823 precursor_mz: 193.097153624
746 retention_time: 0.9 824 retention_time: 0.9
825 group: QCmix+
747 Num Peaks: 2 826 Num Peaks: 2
748 193.097154096091 100 827 193.097154096091 100
749 194.100508936091 10.8157282927322 828 194.100508936091 10.8157282927322
750 829
751 NAME: Bisphenol A b-D-Glucuronide (M+H) 830 NAME: Bisphenol A b-D-Glucuronide (M+H)
753 PRECURSORTYPE: [M+H]+ 832 PRECURSORTYPE: [M+H]+
754 FORMULA: C21H24O8 833 FORMULA: C21H24O8
755 charge: 1 834 charge: 1
756 ionization_mode: positive 835 ionization_mode: positive
757 precursor_mz: 405.154393728 836 precursor_mz: 405.154393728
837 group: QCmix+
758 Num Peaks: 2 838 Num Peaks: 2
759 405.154394180091 100 839 405.154394180091 100
760 406.157749020091 22.7130294147377 840 406.157749020091 22.7130294147377
761 841
762 NAME: Fumonisin b1 (M+H) 842 NAME: Fumonisin b1 (M+H)
765 FORMULA: C34H59N1O15 845 FORMULA: C34H59N1O15
766 charge: 1 846 charge: 1
767 ionization_mode: positive 847 ionization_mode: positive
768 precursor_mz: 722.395746188 848 precursor_mz: 722.395746188
769 retention_time: 6 849 retention_time: 6
850 group: QCmix+
770 Num Peaks: 2 851 Num Peaks: 2
771 722.395746650091 100 852 722.395746650091 100
772 723.399101490091 36.7734761952896 853 723.399101490091 36.7734761952896
773 854
774 NAME: Vincristine (M+H) 855 NAME: Vincristine (M+H)
777 FORMULA: C46H56N4O10 858 FORMULA: C46H56N4O10
778 charge: 1 859 charge: 1
779 ionization_mode: positive 860 ionization_mode: positive
780 precursor_mz: 825.406919992 861 precursor_mz: 825.406919992
781 retention_time: 5.6 862 retention_time: 5.6
863 group: QCmix+
782 Num Peaks: 3 864 Num Peaks: 3
783 825.406920484091 100 865 825.406920484091 100
784 826.410275324091 49.7523501465683 866 826.410275324091 49.7523501465683
785 827.413630164091 12.1074277749786 867 827.413630164091 12.1074277749786
786 868
789 PRECURSORTYPE: [M+H]+ 871 PRECURSORTYPE: [M+H]+
790 FORMULA: C12H18Br6 872 FORMULA: C12H18Br6
791 charge: 1 873 charge: 1
792 ionization_mode: positive 874 ionization_mode: positive
793 precursor_mz: 636.658149176 875 precursor_mz: 636.658149176
876 group: QCmix+
794 Num Peaks: 7 877 Num Peaks: 7
795 638.656107528091 31.7026694196172 878 638.656107528091 31.7026694196172
796 640.654060628091 77.0989657270331 879 640.654060628091 77.0989657270331
797 641.657415468091 10.0065775794512 880 641.657415468091 10.0065775794512
798 642.652013728091 100 881 642.652013728091 100
806 FORMULA: C29H32O13 889 FORMULA: C29H32O13
807 charge: 1 890 charge: 1
808 ionization_mode: positive 891 ionization_mode: positive
809 precursor_mz: 589.191567084 892 precursor_mz: 589.191567084
810 retention_time: 7.3 893 retention_time: 7.3
894 group: QCmix+
811 Num Peaks: 2 895 Num Peaks: 2
812 589.191567536091 100 896 589.191567536091 100
813 590.194922376091 31.3656120489235 897 590.194922376091 31.3656120489235
814 898
815 NAME: Methotrexate (M+H) 899 NAME: Methotrexate (M+H)
818 FORMULA: C20H22N8O5 902 FORMULA: C20H22N8O5
819 charge: 1 903 charge: 1
820 ionization_mode: positive 904 ionization_mode: positive
821 precursor_mz: 455.178591804 905 precursor_mz: 455.178591804
822 retention_time: 3.3 906 retention_time: 3.3
907 group: QCmix+
823 Num Peaks: 2 908 Num Peaks: 2
824 455.178592336091 100 909 455.178592336091 100
825 456.181947176091 21.6314565854645 910 456.181947176091 21.6314565854645
826 911
827 NAME: Aminopterin (M+H) 912 NAME: Aminopterin (M+H)
830 FORMULA: C19H20N8O5 915 FORMULA: C19H20N8O5
831 charge: 1 916 charge: 1
832 ionization_mode: positive 917 ionization_mode: positive
833 precursor_mz: 441.16294174 918 precursor_mz: 441.16294174
834 retention_time: 2.6 919 retention_time: 2.6
920 group: QCmix+
835 Num Peaks: 2 921 Num Peaks: 2
836 441.162942272091 100 922 441.162942272091 100
837 442.166297112091 20.5498837561912 923 442.166297112091 20.5498837561912
838 924
839 NAME: Bisphenol A sulfate (M+H) 925 NAME: Bisphenol A sulfate (M+H)
841 PRECURSORTYPE: [M+H]+ 927 PRECURSORTYPE: [M+H]+
842 FORMULA: C15H16O5S1 928 FORMULA: C15H16O5S1
843 charge: 1 929 charge: 1
844 ionization_mode: positive 930 ionization_mode: positive
845 precursor_mz: 309.079120612 931 precursor_mz: 309.079120612
932 group: QCmix+
846 Num Peaks: 2 933 Num Peaks: 2
847 309.079120794091 100 934 309.079120794091 100
848 310.082475634091 16.2235924390984 935 310.082475634091 16.2235924390984
849 936
850 NAME: Ciprofloxacin (M+H) 937 NAME: Ciprofloxacin (M+H)
853 FORMULA: C17H18N3O3F1 940 FORMULA: C17H18N3O3F1
854 charge: 1 941 charge: 1
855 ionization_mode: positive 942 ionization_mode: positive
856 precursor_mz: 332.140495656 943 precursor_mz: 332.140495656
857 retention_time: 4.3 944 retention_time: 4.3
945 group: QCmix+
858 Num Peaks: 2 946 Num Peaks: 2
859 332.140496118091 100 947 332.140496118091 100
860 333.143850958091 18.3867380976448 948 333.143850958091 18.3867380976448
861 949
862 NAME: Benzo[a]anthracene (M+H) 950 NAME: Benzo[a]anthracene (M+H)
864 PRECURSORTYPE: [M+H]+ 952 PRECURSORTYPE: [M+H]+
865 FORMULA: C18H12 953 FORMULA: C18H12
866 charge: 1 954 charge: 1
867 ionization_mode: positive 955 ionization_mode: positive
868 precursor_mz: 229.101176384 956 precursor_mz: 229.101176384
957 group: QCmix+
869 Num Peaks: 2 958 Num Peaks: 2
870 229.101176836091 100 959 229.101176836091 100
871 230.104531676091 19.468310926918 960 230.104531676091 19.468310926918
872 961
873 NAME: Dibutyl decanedioate (M+H) 962 NAME: Dibutyl decanedioate (M+H)
876 FORMULA: C18H34O4 965 FORMULA: C18H34O4
877 charge: 1 966 charge: 1
878 ionization_mode: positive 967 ionization_mode: positive
879 precursor_mz: 315.252985568 968 precursor_mz: 315.252985568
880 retention_time: 7.7 969 retention_time: 7.7
970 group: QCmix+
881 Num Peaks: 2 971 Num Peaks: 2
882 315.252986020091 100 972 315.252986020091 100
883 316.256340860091 19.468310926918 973 316.256340860091 19.468310926918
884 974
885 NAME: Benzo[a]pyrene (M+H) 975 NAME: Benzo[a]pyrene (M+H)
887 PRECURSORTYPE: [M+H]+ 977 PRECURSORTYPE: [M+H]+
888 FORMULA: C20H12 978 FORMULA: C20H12
889 charge: 1 979 charge: 1
890 ionization_mode: positive 980 ionization_mode: positive
891 precursor_mz: 253.101176384 981 precursor_mz: 253.101176384
982 group: QCmix+
892 Num Peaks: 2 983 Num Peaks: 2
893 253.101176836091 100 984 253.101176836091 100
894 254.104531676091 21.6314565854645 985 254.104531676091 21.6314565854645
895 986
896 NAME: Indeno[1,2,3-cd]pyrene (M+H) 987 NAME: Indeno[1,2,3-cd]pyrene (M+H)
898 PRECURSORTYPE: [M+H]+ 989 PRECURSORTYPE: [M+H]+
899 FORMULA: C22H12 990 FORMULA: C22H12
900 charge: 1 991 charge: 1
901 ionization_mode: positive 992 ionization_mode: positive
902 precursor_mz: 277.101176384 993 precursor_mz: 277.101176384
994 group: QCmix+
903 Num Peaks: 2 995 Num Peaks: 2
904 277.101176836091 100 996 277.101176836091 100
905 278.104531676091 23.7946022440109 997 278.104531676091 23.7946022440109
906 998
907 NAME: 2,2',4,4',5,5'-Hexachlorobiphenyl (M+H) 999 NAME: 2,2',4,4',5,5'-Hexachlorobiphenyl (M+H)
909 PRECURSORTYPE: [M+H]+ 1001 PRECURSORTYPE: [M+H]+
910 FORMULA: C12H4Cl6 1002 FORMULA: C12H4Cl6
911 charge: 1 1003 charge: 1
912 ionization_mode: positive 1004 ionization_mode: positive
913 precursor_mz: 358.851692208 1005 precursor_mz: 358.851692208
1006 group: QCmix+
914 Num Peaks: 6 1007 Num Peaks: 6
915 358.851692840091 52.0902090209021 1008 358.851692840091 52.0902090209021
916 360.848742730091 100 1009 360.848742730091 100
917 361.852097570091 12.9788739512787 1010 361.852097570091 12.9788739512787
918 362.845792620091 79.9894403379092 1011 362.845792620091 79.9894403379092
925 FORMULA: C24H38O4 1018 FORMULA: C24H38O4
926 charge: 1 1019 charge: 1
927 ionization_mode: positive 1020 ionization_mode: positive
928 precursor_mz: 391.284285696 1021 precursor_mz: 391.284285696
929 retention_time: 8 1022 retention_time: 8
1023 group: QCmix+
930 Num Peaks: 2 1024 Num Peaks: 2
931 391.284286148091 100 1025 391.284286148091 100
932 392.287640988091 25.9577479025574 1026 392.287640988091 25.9577479025574
933 1027
934 NAME: Bis(2-ethylhexyl) phthalate (M+H) 1028 NAME: Bis(2-ethylhexyl) phthalate (M+H)
937 FORMULA: C24H38O4 1031 FORMULA: C24H38O4
938 charge: 1 1032 charge: 1
939 ionization_mode: positive 1033 ionization_mode: positive
940 precursor_mz: 391.284285696 1034 precursor_mz: 391.284285696
941 retention_time: 8.04 1035 retention_time: 8.04
1036 group: QCmix+
942 Num Peaks: 2 1037 Num Peaks: 2
943 391.284286148091 100 1038 391.284286148091 100
944 392.287640988091 25.9577479025574 1039 392.287640988091 25.9577479025574
945 1040
946 NAME: Tris(2-ethylhexyl) trimellitate (M+H) 1041 NAME: Tris(2-ethylhexyl) trimellitate (M+H)
949 FORMULA: C33H54O6 1044 FORMULA: C33H54O6
950 charge: 1 1045 charge: 1
951 ionization_mode: positive 1046 ionization_mode: positive
952 precursor_mz: 547.399315448 1047 precursor_mz: 547.399315448
953 retention_time: 9.9 1048 retention_time: 9.9
1049 group: QCmix+
954 Num Peaks: 2 1050 Num Peaks: 2
955 547.399315900091 100 1051 547.399315900091 100
956 548.402670740091 35.6919033660164 1052 548.402670740091 35.6919033660164
957 1053
958 NAME: Bis(2-ethylhexyl) tetrabromophthalate (M+H) 1054 NAME: Bis(2-ethylhexyl) tetrabromophthalate (M+H)
960 PRECURSORTYPE: [M+H]+ 1056 PRECURSORTYPE: [M+H]+
961 FORMULA: C24H34O4Br4 1057 FORMULA: C24H34O4Br4
962 charge: 1 1058 charge: 1
963 ionization_mode: positive 1059 ionization_mode: positive
964 precursor_mz: 702.926333968 1060 precursor_mz: 702.926333968
1061 group: QCmix+
965 Num Peaks: 8 1062 Num Peaks: 8
966 702.926337620091 17.6125941220095 1063 702.926337620091 17.6125941220095
967 704.924290720091 68.5324139795849 1064 704.924290720091 68.5324139795849
968 705.927645560091 17.7894712523576 1065 705.927645560091 17.7894712523576
969 706.922243820091 100 1066 706.922243820091 100
977 PRECURSORTYPE: [M+H]+ 1074 PRECURSORTYPE: [M+H]+
978 FORMULA: C48H72O14 1075 FORMULA: C48H72O14
979 charge: 1 1076 charge: 1
980 ionization_mode: positive 1077 ionization_mode: positive
981 precursor_mz: 873.499482984 1078 precursor_mz: 873.499482984
1079 group: PM4+
982 Num Peaks: 3 1080 Num Peaks: 3
983 873.499483436091 100 1081 873.499483436091 100
984 874.502838276091 51.9154958051147 1082 874.502838276091 51.9154958051147
985 875.506193116091 13.1953415750491 1083 875.506193116091 13.1953415750491
986 1084
990 FORMULA: C10H11N4Cl1 1088 FORMULA: C10H11N4Cl1
991 charge: 1 1089 charge: 1
992 ionization_mode: positive 1090 ionization_mode: positive
993 precursor_mz: 223.074500032 1091 precursor_mz: 223.074500032
994 retention_time: 4.13 1092 retention_time: 4.13
1093 group: PM4+
995 Num Peaks: 3 1094 Num Peaks: 3
996 223.074500554091 100 1095 223.074500554091 100
997 224.077855394091 10.8157282927322 1096 224.077855394091 10.8157282927322
998 225.071550444091 31.9957761351637 1097 225.071550444091 31.9957761351637
999 1098
1003 FORMULA: C9H17N5S1 1102 FORMULA: C9H17N5S1
1004 charge: 1 1103 charge: 1
1005 ionization_mode: positive 1104 ionization_mode: positive
1006 precursor_mz: 228.127742544 1105 precursor_mz: 228.127742544
1007 retention_time: 5.66 1106 retention_time: 5.66
1107 group: PM4+
1008 Num Peaks: 1 1108 Num Peaks: 1
1009 228.127742776091 100 1109 228.127742776091 100
1010 1110
1011 NAME: Amitraz (M+H) 1111 NAME: Amitraz (M+H)
1012 msLevel: MS1 1112 msLevel: MS1
1014 FORMULA: C19H23N3 1114 FORMULA: C19H23N3
1015 charge: 1 1115 charge: 1
1016 ionization_mode: positive 1116 ionization_mode: positive
1017 precursor_mz: 294.196473736 1117 precursor_mz: 294.196473736
1018 retention_time: 7.97 1118 retention_time: 7.97
1119 group: PM4+
1019 Num Peaks: 2 1120 Num Peaks: 2
1020 294.196474218091 100 1121 294.196474218091 100
1021 295.199829058091 20.5498837561912 1122 295.199829058091 20.5498837561912
1022 1123
1023 NAME: Azoxystrobin (M+H) 1124 NAME: Azoxystrobin (M+H)
1026 FORMULA: C22H17N3O5 1127 FORMULA: C22H17N3O5
1027 charge: 1 1128 charge: 1
1028 ionization_mode: positive 1129 ionization_mode: positive
1029 precursor_mz: 404.124096644 1130 precursor_mz: 404.124096644
1030 retention_time: 7.51 1131 retention_time: 7.51
1132 group: PM4+
1031 Num Peaks: 2 1133 Num Peaks: 2
1032 404.124097126091 100 1134 404.124097126091 100
1033 405.127451966091 23.7946022440109 1135 405.127451966091 23.7946022440109
1034 1136
1035 NAME: Benalaxyl (M+H) 1137 NAME: Benalaxyl (M+H)
1038 FORMULA: C20H23N1O3 1140 FORMULA: C20H23N1O3
1039 charge: 1 1141 charge: 1
1040 ionization_mode: positive 1142 ionization_mode: positive
1041 precursor_mz: 326.175069596 1143 precursor_mz: 326.175069596
1042 retention_time: 7.6 1144 retention_time: 7.6
1145 group: PM4+
1043 Num Peaks: 2 1146 Num Peaks: 2
1044 326.175070058091 100 1147 326.175070058091 100
1045 327.178424898091 21.6314565854645 1148 327.178424898091 21.6314565854645
1046 1149
1047 NAME: Benzoximate (M+H) 1150 NAME: Benzoximate (M+H)
1050 FORMULA: C18H18N1O5Cl1 1153 FORMULA: C18H18N1O5Cl1
1051 charge: 1 1154 charge: 1
1052 ionization_mode: positive 1155 ionization_mode: positive
1053 precursor_mz: 364.094626356 1156 precursor_mz: 364.094626356
1054 retention_time: 7.68 1157 retention_time: 7.68
1158 group: PM4+
1055 Num Peaks: 3 1159 Num Peaks: 3
1056 364.094626848091 100 1160 364.094626848091 100
1057 365.097981688091 19.468310926918 1161 365.097981688091 19.468310926918
1058 366.091676738091 31.9957761351637 1162 366.091676738091 31.9957761351637
1059 1163
1063 FORMULA: C18H12N2O1Cl2 1167 FORMULA: C18H12N2O1Cl2
1064 charge: 1 1168 charge: 1
1065 ionization_mode: positive 1169 ionization_mode: positive
1066 precursor_mz: 343.039944364 1170 precursor_mz: 343.039944364
1067 retention_time: 7.4 1171 retention_time: 7.4
1172 group: PM4+
1068 Num Peaks: 5 1173 Num Peaks: 5
1069 343.039944896091 100 1174 343.039944896091 100
1070 344.043299736091 19.468310926918 1175 344.043299736091 19.468310926918
1071 345.036994786091 63.9915522703273 1176 345.036994786091 63.9915522703273
1072 346.040349626091 12.4580743629486 1177 346.040349626091 12.4580743629486
1078 FORMULA: C20H18N2O6Cl1F3 1183 FORMULA: C20H18N2O6Cl1F3
1079 charge: 1 1184 charge: 1
1080 ionization_mode: positive 1185 ionization_mode: positive
1081 precursor_mz: 475.087824636 1186 precursor_mz: 475.087824636
1082 retention_time: 7.31 1187 retention_time: 7.31
1188 group: PM4+
1083 Num Peaks: 3 1189 Num Peaks: 3
1084 475.087825078091 100 1190 475.087825078091 100
1085 476.091179918091 21.6314565854645 1191 476.091179918091 21.6314565854645
1086 477.084874968091 31.9957761351637 1192 477.084874968091 31.9957761351637
1087 1193
1091 FORMULA: C12H16N2O3 1197 FORMULA: C12H16N2O3
1092 charge: 1 1198 charge: 1
1093 ionization_mode: positive 1199 ionization_mode: positive
1094 precursor_mz: 237.123368372 1200 precursor_mz: 237.123368372
1095 retention_time: 4.92 1201 retention_time: 4.92
1202 group: PM4+
1096 Num Peaks: 2 1203 Num Peaks: 2
1097 237.123368844091 100 1204 237.123368844091 100
1098 238.126723684091 12.9788739512787 1205 238.126723684091 12.9788739512787
1099 1206
1100 NAME: Carfentrazone ethyl (M+H) 1207 NAME: Carfentrazone ethyl (M+H)
1103 FORMULA: C15H14N3O3Cl2F3 1210 FORMULA: C15H14N3O3Cl2F3
1104 charge: 1 1211 charge: 1
1105 ionization_mode: positive 1212 ionization_mode: positive
1106 precursor_mz: 412.043707328 1213 precursor_mz: 412.043707328
1107 retention_time: 7.43 1214 retention_time: 7.43
1215 group: PM4+
1108 Num Peaks: 5 1216 Num Peaks: 5
1109 412.043707810091 100 1217 412.043707810091 100
1110 413.047062650091 16.2235924390984 1218 413.047062650091 16.2235924390984
1111 414.040757700091 63.9915522703273 1219 414.040757700091 63.9915522703273
1112 415.044112540091 10.3817286357905 1220 415.044112540091 10.3817286357905
1118 FORMULA: C18H14N5O2Br1Cl2 1226 FORMULA: C18H14N5O2Br1Cl2
1119 charge: 1 1227 charge: 1
1120 ionization_mode: positive 1228 ionization_mode: positive
1121 precursor_mz: 481.978068148 1229 precursor_mz: 481.978068148
1122 retention_time: 7.3 1230 retention_time: 7.3
1231 group: PM4+
1123 Num Peaks: 9 1232 Num Peaks: 9
1124 481.978069510091 100 1233 481.978069510091 100
1125 482.981424350091 19.468310926918 1234 482.981424350091 19.468310926918
1126 483.975119400091 63.9915522703273 1235 483.975119400091 63.9915522703273
1127 483.976022610091 97.2775695403433 1236 483.976022610091 97.2775695403433
1137 FORMULA: C14H8N4Cl2 1246 FORMULA: C14H8N4Cl2
1138 charge: 1 1247 charge: 1
1139 ionization_mode: positive 1248 ionization_mode: positive
1140 precursor_mz: 303.019877616 1249 precursor_mz: 303.019877616
1141 retention_time: 7.93 1250 retention_time: 7.93
1251 group: PM4+
1142 Num Peaks: 4 1252 Num Peaks: 4
1143 303.019878168091 100 1253 303.019878168091 100
1144 304.023233008091 15.1420196098251 1254 304.023233008091 15.1420196098251
1145 305.016928058091 63.9915522703273 1255 305.016928058091 63.9915522703273
1146 307.013977948091 10.2372969049151 1256 307.013977948091 10.2372969049151
1151 FORMULA: C7H10N4O3 1261 FORMULA: C7H10N4O3
1152 charge: 1 1262 charge: 1
1153 ionization_mode: positive 1263 ionization_mode: positive
1154 precursor_mz: 199.08256618 1264 precursor_mz: 199.08256618
1155 retention_time: 3.61 1265 retention_time: 3.61
1266 group: PM4+
1156 Num Peaks: 1 1267 Num Peaks: 1
1157 199.082566672091 100 1268 199.082566672091 100
1158 1269
1159 NAME: Cyprodinil (M+H) 1270 NAME: Cyprodinil (M+H)
1160 msLevel: MS1 1271 msLevel: MS1
1162 FORMULA: C14H15N3 1273 FORMULA: C14H15N3
1163 charge: 1 1274 charge: 1
1164 ionization_mode: positive 1275 ionization_mode: positive
1165 precursor_mz: 226.13387348 1276 precursor_mz: 226.13387348
1166 retention_time: 7.39 1277 retention_time: 7.39
1278 group: PM4+
1167 Num Peaks: 2 1279 Num Peaks: 2
1168 226.133873962091 100 1280 226.133873962091 100
1169 227.137228802091 15.1420196098251 1281 227.137228802091 15.1420196098251
1170 1282
1171 NAME: Cyromazine (M+H) 1283 NAME: Cyromazine (M+H)
1174 FORMULA: C6H10N6 1286 FORMULA: C6H10N6
1175 charge: 1 1287 charge: 1
1176 ionization_mode: positive 1288 ionization_mode: positive
1177 precursor_mz: 167.10397032 1289 precursor_mz: 167.10397032
1178 retention_time: 0.81 1290 retention_time: 0.81
1291 group: PM4+
1179 Num Peaks: 1 1292 Num Peaks: 1
1180 167.103970832091 100 1293 167.103970832091 100
1181 1294
1182 NAME: Dimoxystrobin (M+H) 1295 NAME: Dimoxystrobin (M+H)
1183 msLevel: MS1 1296 msLevel: MS1
1185 FORMULA: C19H22N2O3 1298 FORMULA: C19H22N2O3
1186 charge: 1 1299 charge: 1
1187 ionization_mode: positive 1300 ionization_mode: positive
1188 precursor_mz: 327.170318564 1301 precursor_mz: 327.170318564
1189 retention_time: 7.58 1302 retention_time: 7.58
1303 group: PM4+
1190 Num Peaks: 2 1304 Num Peaks: 2
1191 327.170319036091 100 1305 327.170319036091 100
1192 328.173673876091 20.5498837561912 1306 328.173673876091 20.5498837561912
1193 1307
1194 NAME: Dinotefuran (M+H) 1308 NAME: Dinotefuran (M+H)
1197 FORMULA: C7H14N4O3 1311 FORMULA: C7H14N4O3
1198 charge: 1 1312 charge: 1
1199 ionization_mode: positive 1313 ionization_mode: positive
1200 precursor_mz: 203.113866308 1314 precursor_mz: 203.113866308
1201 retention_time: 1.54 1315 retention_time: 1.54
1316 group: PM4+
1202 Num Peaks: 1 1317 Num Peaks: 1
1203 203.113866800091 100 1318 203.113866800091 100
1204 1319
1205 NAME: Doramectin (M+H) 1320 NAME: Doramectin (M+H)
1206 msLevel: MS1 1321 msLevel: MS1
1207 PRECURSORTYPE: [M+H]+ 1322 PRECURSORTYPE: [M+H]+
1208 FORMULA: C50H74O14 1323 FORMULA: C50H74O14
1209 charge: 1 1324 charge: 1
1210 ionization_mode: positive 1325 ionization_mode: positive
1211 precursor_mz: 899.515133048 1326 precursor_mz: 899.515133048
1327 group: PM4+
1212 Num Peaks: 3 1328 Num Peaks: 3
1213 899.515133500091 100 1329 899.515133500091 100
1214 900.518488340091 54.0786414636612 1330 900.518488340091 54.0786414636612
1215 901.521843180091 14.3300473665205 1331 901.521843180091 14.3300473665205
1216 1332
1219 PRECURSORTYPE: [M+H]+ 1335 PRECURSORTYPE: [M+H]+
1220 FORMULA: C49H73N1O14 1336 FORMULA: C49H73N1O14
1221 charge: 1 1337 charge: 1
1222 ionization_mode: positive 1338 ionization_mode: positive
1223 precursor_mz: 900.510382016 1339 precursor_mz: 900.510382016
1340 group: PM4+
1224 Num Peaks: 3 1341 Num Peaks: 3
1225 900.510382478091 100 1342 900.510382478091 100
1226 901.513737318091 52.997068634388 1343 901.513737318091 52.997068634388
1227 902.517092158091 13.7568454718597 1344 902.517092158091 13.7568454718597
1228 1345
1231 PRECURSORTYPE: [M+H]+ 1348 PRECURSORTYPE: [M+H]+
1232 FORMULA: C22H18N2O4 1349 FORMULA: C22H18N2O4
1233 charge: 1 1350 charge: 1
1234 ionization_mode: positive 1351 ionization_mode: positive
1235 precursor_mz: 375.133933056 1352 precursor_mz: 375.133933056
1353 group: PM4+
1236 Num Peaks: 2 1354 Num Peaks: 2
1237 375.133933528091 100 1355 375.133933528091 100
1238 376.137288368091 23.7946022440109 1356 376.137288368091 23.7946022440109
1239 1357
1240 NAME: Fenazaquin (M+H) 1358 NAME: Fenazaquin (M+H)
1243 FORMULA: C20H22N2O1 1361 FORMULA: C20H22N2O1
1244 charge: 1 1362 charge: 1
1245 ionization_mode: positive 1363 ionization_mode: positive
1246 precursor_mz: 307.180489324 1364 precursor_mz: 307.180489324
1247 retention_time: 9.68 1365 retention_time: 9.68
1366 group: PM4+
1248 Num Peaks: 2 1367 Num Peaks: 2
1249 307.180489796091 100 1368 307.180489796091 100
1250 308.183844636091 21.6314565854645 1369 308.183844636091 21.6314565854645
1251 1370
1252 NAME: Fenhexamid (M+H) 1371 NAME: Fenhexamid (M+H)
1255 FORMULA: C14H17N1O2Cl2 1374 FORMULA: C14H17N1O2Cl2
1256 charge: 1 1375 charge: 1
1257 ionization_mode: positive 1376 ionization_mode: positive
1258 precursor_mz: 302.070910144 1377 precursor_mz: 302.070910144
1259 retention_time: 7.28 1378 retention_time: 7.28
1379 group: PM4+
1260 Num Peaks: 4 1380 Num Peaks: 4
1261 302.070910666091 100 1381 302.070910666091 100
1262 303.074265506091 15.1420196098251 1382 303.074265506091 15.1420196098251
1263 304.067960556091 63.9915522703273 1383 304.067960556091 63.9915522703273
1264 306.065010446091 10.2372969049151 1384 306.065010446091 10.2372969049151
1269 FORMULA: C24H27N3O4 1389 FORMULA: C24H27N3O4
1270 charge: 1 1390 charge: 1
1271 ionization_mode: positive 1391 ionization_mode: positive
1272 precursor_mz: 422.207432344 1392 precursor_mz: 422.207432344
1273 retention_time: 8.51 1393 retention_time: 8.51
1394 group: PM4+
1274 Num Peaks: 2 1395 Num Peaks: 2
1275 422.207432826091 100 1396 422.207432826091 100
1276 423.210787666091 25.9577479025574 1397 423.210787666091 25.9577479025574
1277 1398
1278 NAME: Flonicamid (M+H) 1399 NAME: Flonicamid (M+H)
1281 FORMULA: C9H6N3O1F3 1402 FORMULA: C9H6N3O1F3
1282 charge: 1 1403 charge: 1
1283 ionization_mode: positive 1404 ionization_mode: positive
1284 precursor_mz: 230.053572472 1405 precursor_mz: 230.053572472
1285 retention_time: 1.75 1406 retention_time: 1.75
1407 group: PM4+
1286 Num Peaks: 1 1408 Num Peaks: 1
1287 230.053572894091 100 1409 230.053572894091 100
1288 1410
1289 NAME: Fluazinam (M+H) 1411 NAME: Fluazinam (M+H)
1290 msLevel: MS1 1412 msLevel: MS1
1291 PRECURSORTYPE: [M+H]+ 1413 PRECURSORTYPE: [M+H]+
1292 FORMULA: C13H4N4O4Cl2F6 1414 FORMULA: C13H4N4O4Cl2F6
1293 charge: 1 1415 charge: 1
1294 ionization_mode: positive 1416 ionization_mode: positive
1295 precursor_mz: 464.958655288 1417 precursor_mz: 464.958655288
1418 group: PM4+
1296 Num Peaks: 4 1419 Num Peaks: 4
1297 464.958655720091 100 1420 464.958655720091 100
1298 465.962010560091 14.0604467805519 1421 465.962010560091 14.0604467805519
1299 466.955705610091 63.9915522703273 1422 466.955705610091 63.9915522703273
1300 468.952755500091 10.2372969049151 1423 468.952755500091 10.2372969049151
1305 FORMULA: C12H6N2O2F2 1428 FORMULA: C12H6N2O2F2
1306 charge: 1 1429 charge: 1
1307 ionization_mode: positive 1430 ionization_mode: positive
1308 precursor_mz: 249.047009872 1431 precursor_mz: 249.047009872
1309 retention_time: 7.07 1432 retention_time: 7.07
1433 group: PM4+
1310 Num Peaks: 2 1434 Num Peaks: 2
1311 249.047010304091 100 1435 249.047010304091 100
1312 250.050365144091 12.9788739512787 1436 250.050365144091 12.9788739512787
1313 1437
1314 NAME: Fluoxastrobin (M+H) 1438 NAME: Fluoxastrobin (M+H)
1317 FORMULA: C21H16N4O5Cl1F1 1441 FORMULA: C21H16N4O5Cl1F1
1318 charge: 1 1442 charge: 1
1319 ionization_mode: positive 1443 ionization_mode: positive
1320 precursor_mz: 459.086601512 1444 precursor_mz: 459.086601512
1321 retention_time: 7.62 1445 retention_time: 7.62
1446 group: PM4+
1322 Num Peaks: 3 1447 Num Peaks: 3
1323 459.086602014091 100 1448 459.086602014091 100
1324 460.089956854091 22.7130294147377 1449 460.089956854091 22.7130294147377
1325 461.083651904091 31.9957761351637 1450 461.083651904091 31.9957761351637
1326 1451
1330 FORMULA: C17H16N1O2F3 1455 FORMULA: C17H16N1O2F3
1331 charge: 1 1456 charge: 1
1332 ionization_mode: positive 1457 ionization_mode: positive
1333 precursor_mz: 324.120589412 1458 precursor_mz: 324.120589412
1334 retention_time: 7.01 1459 retention_time: 7.01
1460 group: PM4+
1335 Num Peaks: 2 1461 Num Peaks: 2
1336 324.120589814091 100 1462 324.120589814091 100
1337 325.123944654091 18.3867380976448 1463 325.123944654091 18.3867380976448
1338 1464
1339 NAME: Furalaxyl (M+H) 1465 NAME: Furalaxyl (M+H)
1342 FORMULA: C17H19N1O4 1468 FORMULA: C17H19N1O4
1343 charge: 1 1469 charge: 1
1344 ionization_mode: positive 1470 ionization_mode: positive
1345 precursor_mz: 302.138684088 1471 precursor_mz: 302.138684088
1346 retention_time: 7.04 1472 retention_time: 7.04
1473 group: PM4+
1347 Num Peaks: 2 1474 Num Peaks: 2
1348 302.138684550091 100 1475 302.138684550091 100
1349 303.142039390091 18.3867380976448 1476 303.142039390091 18.3867380976448
1350 1477
1351 NAME: Halofenozide (M+H) 1478 NAME: Halofenozide (M+H)
1354 FORMULA: C18H19N2O2Cl1 1481 FORMULA: C18H19N2O2Cl1
1355 charge: 1 1482 charge: 1
1356 ionization_mode: positive 1483 ionization_mode: positive
1357 precursor_mz: 331.120781528 1484 precursor_mz: 331.120781528
1358 retention_time: 7.09 1485 retention_time: 7.09
1486 group: PM4+
1359 Num Peaks: 3 1487 Num Peaks: 3
1360 331.120782030091 100 1488 331.120782030091 100
1361 332.124136870091 19.468310926918 1489 332.124136870091 19.468310926918
1362 333.117831920091 31.9957761351637 1490 333.117831920091 31.9957761351637
1363 1491
1367 FORMULA: C14H14N2O1Cl2 1495 FORMULA: C14H14N2O1Cl2
1368 charge: 1 1496 charge: 1
1369 ionization_mode: positive 1497 ionization_mode: positive
1370 precursor_mz: 297.055594428 1498 precursor_mz: 297.055594428
1371 retention_time: 5.14 1499 retention_time: 5.14
1500 group: PM4+
1372 Num Peaks: 4 1501 Num Peaks: 4
1373 297.055594960091 100 1502 297.055594960091 100
1374 298.058949800091 15.1420196098251 1503 298.058949800091 15.1420196098251
1375 299.052644850091 63.9915522703273 1504 299.052644850091 63.9915522703273
1376 301.049694740091 10.2372969049151 1505 301.049694740091 10.2372969049151
1381 FORMULA: C9H10N5O2Cl1 1510 FORMULA: C9H10N5O2Cl1
1382 charge: 1 1511 charge: 1
1383 ionization_mode: positive 1512 ionization_mode: positive
1384 precursor_mz: 256.05957824 1513 precursor_mz: 256.05957824
1385 retention_time: 3.88 1514 retention_time: 3.88
1515 group: PM4+
1386 Num Peaks: 2 1516 Num Peaks: 2
1387 256.059578772091 100 1517 256.059578772091 100
1388 258.056628662091 31.9957761351637 1518 258.056628662091 31.9957761351637
1389 1519
1390 NAME: Ivermectin (M+H) 1520 NAME: Ivermectin (M+H)
1392 PRECURSORTYPE: [M+H]+ 1522 PRECURSORTYPE: [M+H]+
1393 FORMULA: C48H74O14 1523 FORMULA: C48H74O14
1394 charge: 1 1524 charge: 1
1395 ionization_mode: positive 1525 ionization_mode: positive
1396 precursor_mz: 875.515133048 1526 precursor_mz: 875.515133048
1527 group: PM4+
1397 Num Peaks: 3 1528 Num Peaks: 3
1398 875.515133500091 100 1529 875.515133500091 100
1399 876.518488340091 51.9154958051147 1530 876.518488340091 51.9154958051147
1400 877.521843180091 13.1953415750491 1531 877.521843180091 13.1953415750491
1401 1532
1405 FORMULA: C18H19N1O4 1536 FORMULA: C18H19N1O4
1406 charge: 1 1537 charge: 1
1407 ionization_mode: positive 1538 ionization_mode: positive
1408 precursor_mz: 314.138684088 1539 precursor_mz: 314.138684088
1409 retention_time: 7.6 1540 retention_time: 7.6
1541 group: PM4+
1410 Num Peaks: 2 1542 Num Peaks: 2
1411 314.138684550091 100 1543 314.138684550091 100
1412 315.142039390091 19.468310926918 1544 315.142039390091 19.468310926918
1413 1545
1414 NAME: Mandipropamid (M+H) 1546 NAME: Mandipropamid (M+H)
1417 FORMULA: C23H22N1O4Cl1 1549 FORMULA: C23H22N1O4Cl1
1418 charge: 1 1550 charge: 1
1419 ionization_mode: positive 1551 ionization_mode: positive
1420 precursor_mz: 412.131011864 1552 precursor_mz: 412.131011864
1421 retention_time: 7.54 1553 retention_time: 7.54
1554 group: PM4+
1422 Num Peaks: 3 1555 Num Peaks: 3
1423 412.131012356091 100 1556 412.131012356091 100
1424 413.134367196091 24.8761750732841 1557 413.134367196091 24.8761750732841
1425 414.128062246091 31.9957761351637 1558 414.128062246091 31.9957761351637
1426 1559
1430 FORMULA: C14H13N3 1563 FORMULA: C14H13N3
1431 charge: 1 1564 charge: 1
1432 ionization_mode: positive 1565 ionization_mode: positive
1433 precursor_mz: 224.118223416 1566 precursor_mz: 224.118223416
1434 retention_time: 7.5 1567 retention_time: 7.5
1568 group: PM4+
1435 Num Peaks: 2 1569 Num Peaks: 2
1436 224.118223898091 100 1570 224.118223898091 100
1437 225.121578738091 15.1420196098251 1571 225.121578738091 15.1420196098251
1438 1572
1439 NAME: Mepronil (M+H) 1573 NAME: Mepronil (M+H)
1442 FORMULA: C17H19N1O2 1576 FORMULA: C17H19N1O2
1443 charge: 1 1577 charge: 1
1444 ionization_mode: positive 1578 ionization_mode: positive
1445 precursor_mz: 270.148854848 1579 precursor_mz: 270.148854848
1446 retention_time: 7.26 1580 retention_time: 7.26
1581 group: PM4+
1447 Num Peaks: 2 1582 Num Peaks: 2
1448 270.148855310091 100 1583 270.148855310091 100
1449 271.152210150091 18.3867380976448 1584 271.152210150091 18.3867380976448
1450 1585
1451 NAME: Metaflumizone (M+H) 1586 NAME: Metaflumizone (M+H)
1454 FORMULA: C24H16N4O2F6 1589 FORMULA: C24H16N4O2F6
1455 charge: 1 1590 charge: 1
1456 ionization_mode: positive 1591 ionization_mode: positive
1457 precursor_mz: 507.125021072 1592 precursor_mz: 507.125021072
1458 retention_time: 7.64 1593 retention_time: 7.64
1594 group: PM4+
1459 Num Peaks: 2 1595 Num Peaks: 2
1460 507.125021444091 100 1596 507.125021444091 100
1461 508.128376284091 25.9577479025574 1597 508.128376284091 25.9577479025574
1462 1598
1463 NAME: Metalaxyl (M+H) 1599 NAME: Metalaxyl (M+H)
1466 FORMULA: C15H21N1O4 1602 FORMULA: C15H21N1O4
1467 charge: 1 1603 charge: 1
1468 ionization_mode: positive 1604 ionization_mode: positive
1469 precursor_mz: 280.154334152 1605 precursor_mz: 280.154334152
1470 retention_time: 6.64 1606 retention_time: 6.64
1607 group: PM4+
1471 Num Peaks: 2 1608 Num Peaks: 2
1472 280.154334614091 100 1609 280.154334614091 100
1473 281.157689454091 16.2235924390984 1610 281.157689454091 16.2235924390984
1474 1611
1475 NAME: Methoxyfenozide (M+H) 1612 NAME: Methoxyfenozide (M+H)
1478 FORMULA: C22H28N2O3 1615 FORMULA: C22H28N2O3
1479 charge: 1 1616 charge: 1
1480 ionization_mode: positive 1617 ionization_mode: positive
1481 precursor_mz: 369.217268756 1618 precursor_mz: 369.217268756
1482 retention_time: 7.21 1619 retention_time: 7.21
1620 group: PM4+
1483 Num Peaks: 2 1621 Num Peaks: 2
1484 369.217269228091 100 1622 369.217269228091 100
1485 370.220624068091 23.7946022440109 1623 370.220624068091 23.7946022440109
1486 1624
1487 NAME: Moxidectin (M+H) 1625 NAME: Moxidectin (M+H)
1490 FORMULA: C37H53N1O8 1628 FORMULA: C37H53N1O8
1491 charge: 1 1629 charge: 1
1492 ionization_mode: positive 1630 ionization_mode: positive
1493 precursor_mz: 640.384393656 1631 precursor_mz: 640.384393656
1494 retention_time: 8.67 1632 retention_time: 8.67
1633 group: PM4+
1495 Num Peaks: 2 1634 Num Peaks: 2
1496 640.384394118091 100 1635 640.384394118091 100
1497 641.387748958091 40.0181946831093 1636 641.387748958091 40.0181946831093
1498 1637
1499 NAME: Myclobutanil (M+H) 1638 NAME: Myclobutanil (M+H)
1502 FORMULA: C15H17N4Cl1 1641 FORMULA: C15H17N4Cl1
1503 charge: 1 1642 charge: 1
1504 ionization_mode: positive 1643 ionization_mode: positive
1505 precursor_mz: 289.121450224 1644 precursor_mz: 289.121450224
1506 retention_time: 7.08 1645 retention_time: 7.08
1646 group: PM4+
1507 Num Peaks: 3 1647 Num Peaks: 3
1508 289.121450746091 100 1648 289.121450746091 100
1509 290.124805586091 16.2235924390984 1649 290.124805586091 16.2235924390984
1510 291.118500636091 31.9957761351637 1650 291.118500636091 31.9957761351637
1511 1651
1515 FORMULA: C11H15N4O2Cl1 1655 FORMULA: C11H15N4O2Cl1
1516 charge: 1 1656 charge: 1
1517 ionization_mode: positive 1657 ionization_mode: positive
1518 precursor_mz: 271.0956294 1658 precursor_mz: 271.0956294
1519 retention_time: 1.69 1659 retention_time: 1.69
1660 group: PM4+
1520 Num Peaks: 3 1661 Num Peaks: 3
1521 271.095629922091 100 1662 271.095629922091 100
1522 272.098984762091 11.8973011220055 1663 272.098984762091 11.8973011220055
1523 273.092679812091 31.9957761351637 1664 273.092679812091 31.9957761351637
1524 1665
1528 FORMULA: C14H18N2O4 1669 FORMULA: C14H18N2O4
1529 charge: 1 1670 charge: 1
1530 ionization_mode: positive 1671 ionization_mode: positive
1531 precursor_mz: 279.133933056 1672 precursor_mz: 279.133933056
1532 retention_time: 5.4 1673 retention_time: 5.4
1674 group: PM4+
1533 Num Peaks: 2 1675 Num Peaks: 2
1534 279.133933528091 100 1676 279.133933528091 100
1535 280.137288368091 15.1420196098251 1677 280.137288368091 15.1420196098251
1536 1678
1537 NAME: Picoxystrobin (M+H) 1679 NAME: Picoxystrobin (M+H)
1540 FORMULA: C18H16N1O4F3 1682 FORMULA: C18H16N1O4F3
1541 charge: 1 1683 charge: 1
1542 ionization_mode: positive 1684 ionization_mode: positive
1543 precursor_mz: 368.110418652 1685 precursor_mz: 368.110418652
1544 retention_time: 7.33 1686 retention_time: 7.33
1687 group: PM4+
1545 Num Peaks: 2 1688 Num Peaks: 2
1546 368.110419054091 100 1689 368.110419054091 100
1547 369.113773894091 19.468310926918 1690 369.113773894091 19.468310926918
1548 1691
1549 NAME: Piperonyl butoxide (M+H) 1692 NAME: Piperonyl butoxide (M+H)
1551 PRECURSORTYPE: [M+H]+ 1694 PRECURSORTYPE: [M+H]+
1552 FORMULA: C19H30O5 1695 FORMULA: C19H30O5
1553 charge: 1 1696 charge: 1
1554 ionization_mode: positive 1697 ionization_mode: positive
1555 precursor_mz: 339.21660006 1698 precursor_mz: 339.21660006
1699 group: PM4+
1556 Num Peaks: 2 1700 Num Peaks: 2
1557 339.216600512091 100 1701 339.216600512091 100
1558 340.219955352091 20.5498837561912 1702 340.219955352091 20.5498837561912
1559 1703
1560 NAME: Prochloraz (M+H) 1704 NAME: Prochloraz (M+H)
1563 FORMULA: C15H16N3O2Cl3 1707 FORMULA: C15H16N3O2Cl3
1564 charge: 1 1708 charge: 1
1565 ionization_mode: positive 1709 ionization_mode: positive
1566 precursor_mz: 376.038085792 1710 precursor_mz: 376.038085792
1567 retention_time: 7.67 1711 retention_time: 7.67
1712 group: PM4+
1568 Num Peaks: 5 1713 Num Peaks: 5
1569 376.038086364091 100 1714 376.038086364091 100
1570 377.041441204091 16.2235924390984 1715 377.041441204091 16.2235924390984
1571 378.035136254091 95.987328405491 1716 378.035136254091 95.987328405491
1572 379.038491094091 15.5725929536857 1717 379.038491094091 15.5725929536857
1578 FORMULA: C10H19N5O1 1723 FORMULA: C10H19N5O1
1579 charge: 1 1724 charge: 1
1580 ionization_mode: positive 1725 ionization_mode: positive
1581 precursor_mz: 226.166236228 1726 precursor_mz: 226.166236228
1582 retention_time: 4.22 1727 retention_time: 4.22
1728 group: PM4+
1583 Num Peaks: 2 1729 Num Peaks: 2
1584 226.166236730091 100 1730 226.166236730091 100
1585 227.169591570091 10.8157282927322 1731 227.169591570091 10.8157282927322
1586 1732
1587 NAME: Pymetrozine (M+H) 1733 NAME: Pymetrozine (M+H)
1590 FORMULA: C10H11N5O1 1736 FORMULA: C10H11N5O1
1591 charge: 1 1737 charge: 1
1592 ionization_mode: positive 1738 ionization_mode: positive
1593 precursor_mz: 218.103635972 1739 precursor_mz: 218.103635972
1594 retention_time: 1.47 1740 retention_time: 1.47
1741 group: PM4+
1595 Num Peaks: 2 1742 Num Peaks: 2
1596 218.103636474091 100 1743 218.103636474091 100
1597 219.106991314091 10.8157282927322 1744 219.106991314091 10.8157282927322
1598 1745
1599 NAME: Pyracarbolid (M+H) 1746 NAME: Pyracarbolid (M+H)
1602 FORMULA: C13H15N1O2 1749 FORMULA: C13H15N1O2
1603 charge: 1 1750 charge: 1
1604 ionization_mode: positive 1751 ionization_mode: positive
1605 precursor_mz: 218.11755472 1752 precursor_mz: 218.11755472
1606 retention_time: 5.83 1753 retention_time: 5.83
1754 group: PM4+
1607 Num Peaks: 2 1755 Num Peaks: 2
1608 218.117555182091 100 1756 218.117555182091 100
1609 219.120910022091 14.0604467805519 1757 219.120910022091 14.0604467805519
1610 1758
1611 NAME: Pyrimethanil (M+H) 1759 NAME: Pyrimethanil (M+H)
1614 FORMULA: C12H13N3 1762 FORMULA: C12H13N3
1615 charge: 1 1763 charge: 1
1616 ionization_mode: positive 1764 ionization_mode: positive
1617 precursor_mz: 200.118223416 1765 precursor_mz: 200.118223416
1618 retention_time: 6.88 1766 retention_time: 6.88
1767 group: PM4+
1619 Num Peaks: 2 1768 Num Peaks: 2
1620 200.118223898091 100 1769 200.118223898091 100
1621 201.121578738091 12.9788739512787 1770 201.121578738091 12.9788739512787
1622 1771
1623 NAME: Pyriproxyfen (M+H) 1772 NAME: Pyriproxyfen (M+H)
1626 FORMULA: C20H19N1O3 1775 FORMULA: C20H19N1O3
1627 charge: 1 1776 charge: 1
1628 ionization_mode: positive 1777 ionization_mode: positive
1629 precursor_mz: 322.143769468 1778 precursor_mz: 322.143769468
1630 retention_time: 8.01 1779 retention_time: 8.01
1780 group: PM4+
1631 Num Peaks: 2 1781 Num Peaks: 2
1632 322.143769930091 100 1782 322.143769930091 100
1633 323.147124770091 21.6314565854645 1783 323.147124770091 21.6314565854645
1634 1784
1635 NAME: Quinoxyfen (M+H) 1785 NAME: Quinoxyfen (M+H)
1638 FORMULA: C15H8N1O1Cl2F1 1788 FORMULA: C15H8N1O1Cl2F1
1639 charge: 1 1789 charge: 1
1640 ionization_mode: positive 1790 ionization_mode: positive
1641 precursor_mz: 308.003973456 1791 precursor_mz: 308.003973456
1642 retention_time: 8.34 1792 retention_time: 8.34
1793 group: PM4+
1643 Num Peaks: 5 1794 Num Peaks: 5
1644 308.003973958091 100 1795 308.003973958091 100
1645 309.007328798091 16.2235924390984 1796 309.007328798091 16.2235924390984
1646 310.001023848091 63.9915522703273 1797 310.001023848091 63.9915522703273
1647 311.004378688091 10.3817286357905 1798 311.004378688091 10.3817286357905
1653 FORMULA: C23H22O6 1804 FORMULA: C23H22O6
1654 charge: 1 1805 charge: 1
1655 ionization_mode: positive 1806 ionization_mode: positive
1656 precursor_mz: 395.148914424 1807 precursor_mz: 395.148914424
1657 retention_time: 8.44 1808 retention_time: 8.44
1809 group: PM4+
1658 Num Peaks: 2 1810 Num Peaks: 2
1659 395.148914876091 100 1811 395.148914876091 100
1660 396.152269716091 24.8761750732841 1812 396.152269716091 24.8761750732841
1661 1813
1662 NAME: Secbumeton (M+H) 1814 NAME: Secbumeton (M+H)
1665 FORMULA: C10H19N5O1 1817 FORMULA: C10H19N5O1
1666 charge: 1 1818 charge: 1
1667 ionization_mode: positive 1819 ionization_mode: positive
1668 precursor_mz: 226.166236228 1820 precursor_mz: 226.166236228
1669 retention_time: 4.22 1821 retention_time: 4.22
1822 group: PM4+
1670 Num Peaks: 2 1823 Num Peaks: 2
1671 226.166236730091 100 1824 226.166236730091 100
1672 227.169591570091 10.8157282927322 1825 227.169591570091 10.8157282927322
1673 1826
1674 NAME: Spiroxamine (M+H) 1827 NAME: Spiroxamine (M+H)
1677 FORMULA: C18H35N1O2 1830 FORMULA: C18H35N1O2
1678 charge: 1 1831 charge: 1
1679 ionization_mode: positive 1832 ionization_mode: positive
1680 precursor_mz: 298.27405536 1833 precursor_mz: 298.27405536
1681 retention_time: 5.76 1834 retention_time: 5.76
1835 group: PM4+
1682 Num Peaks: 2 1836 Num Peaks: 2
1683 298.274055822091 100 1837 298.274055822091 100
1684 299.277410662091 19.468310926918 1838 299.277410662091 19.468310926918
1685 1839
1686 NAME: Tebufenozide (M+H) 1840 NAME: Tebufenozide (M+H)
1689 FORMULA: C22H28N2O2 1843 FORMULA: C22H28N2O2
1690 charge: 1 1844 charge: 1
1691 ionization_mode: positive 1845 ionization_mode: positive
1692 precursor_mz: 353.222354136 1846 precursor_mz: 353.222354136
1693 retention_time: 7.29 1847 retention_time: 7.29
1848 group: PM4+
1694 Num Peaks: 2 1849 Num Peaks: 2
1695 353.222354608091 100 1850 353.222354608091 100
1696 354.225709448091 23.7946022440109 1851 354.225709448091 23.7946022440109
1697 1852
1698 NAME: Tebufenpyrad (M+H) 1853 NAME: Tebufenpyrad (M+H)
1701 FORMULA: C18H24N3O1Cl1 1856 FORMULA: C18H24N3O1Cl1
1702 charge: 1 1857 charge: 1
1703 ionization_mode: positive 1858 ionization_mode: positive
1704 precursor_mz: 334.168066068 1859 precursor_mz: 334.168066068
1705 retention_time: 7.71 1860 retention_time: 7.71
1861 group: PM4+
1706 Num Peaks: 3 1862 Num Peaks: 3
1707 334.168066580091 100 1863 334.168066580091 100
1708 335.171421420091 19.468310926918 1864 335.171421420091 19.468310926918
1709 336.165116470091 31.9957761351637 1865 336.165116470091 31.9957761351637
1710 1866
1714 FORMULA: C10H19N5O1 1870 FORMULA: C10H19N5O1
1715 charge: 1 1871 charge: 1
1716 ionization_mode: positive 1872 ionization_mode: positive
1717 precursor_mz: 226.166236228 1873 precursor_mz: 226.166236228
1718 retention_time: 4.22 1874 retention_time: 4.22
1875 group: PM4+
1719 Num Peaks: 2 1876 Num Peaks: 2
1720 226.166236730091 100 1877 226.166236730091 100
1721 227.169591570091 10.8157282927322 1878 227.169591570091 10.8157282927322
1722 1879
1723 NAME: Triadimefon (M+H) 1880 NAME: Triadimefon (M+H)
1726 FORMULA: C14H16N3O2Cl1 1883 FORMULA: C14H16N3O2Cl1
1727 charge: 1 1884 charge: 1
1728 ionization_mode: positive 1885 ionization_mode: positive
1729 precursor_mz: 294.100380432 1886 precursor_mz: 294.100380432
1730 retention_time: 7.19 1887 retention_time: 7.19
1888 group: PM4+
1731 Num Peaks: 3 1889 Num Peaks: 3
1732 294.100380944091 100 1890 294.100380944091 100
1733 295.103735784091 15.1420196098251 1891 295.103735784091 15.1420196098251
1734 296.097430834091 31.9957761351637 1892 296.097430834091 31.9957761351637
1735 1893
1739 FORMULA: C20H19N2O4F3 1897 FORMULA: C20H19N2O4F3
1740 charge: 1 1898 charge: 1
1741 ionization_mode: positive 1899 ionization_mode: positive
1742 precursor_mz: 409.136967748 1900 precursor_mz: 409.136967748
1743 retention_time: 7.58 1901 retention_time: 7.58
1902 group: PM4+
1744 Num Peaks: 2 1903 Num Peaks: 2
1745 409.136968160091 100 1904 409.136968160091 100
1746 410.140323000091 21.6314565854645 1905 410.140323000091 21.6314565854645
1747 1906
1748 NAME: Zoxamide (M+H) 1907 NAME: Zoxamide (M+H)
1751 FORMULA: C14H16N1O2Cl3 1910 FORMULA: C14H16N1O2Cl3
1752 charge: 1 1911 charge: 1
1753 ionization_mode: positive 1912 ionization_mode: positive
1754 precursor_mz: 336.031937792 1913 precursor_mz: 336.031937792
1755 retention_time: 7.57 1914 retention_time: 7.57
1915 group: PM4+
1756 Num Peaks: 5 1916 Num Peaks: 5
1757 336.031938344091 100 1917 336.031938344091 100
1758 337.035293184091 15.1420196098251 1918 337.035293184091 15.1420196098251
1759 338.028988234091 95.987328405491 1919 338.028988234091 95.987328405491
1760 339.032343074091 14.5344200901067 1920 339.032343074091 14.5344200901067
1766 FORMULA: C8H6N2O1S2 1926 FORMULA: C8H6N2O1S2
1767 charge: 1 1927 charge: 1
1768 ionization_mode: positive 1928 ionization_mode: positive
1769 precursor_mz: 210.999430812 1929 precursor_mz: 210.999430812
1770 retention_time: 7.84 1930 retention_time: 7.84
1931 group: PM5+
1771 Num Peaks: 1 1932 Num Peaks: 1
1772 210.999430744091 100 1933 210.999430744091 100
1773 1934
1774 NAME: Bupirimate (M+H) 1935 NAME: Bupirimate (M+H)
1775 msLevel: MS1 1936 msLevel: MS1
1777 FORMULA: C13H24N4O3S1 1938 FORMULA: C13H24N4O3S1
1778 charge: 1 1939 charge: 1
1779 ionization_mode: positive 1940 ionization_mode: positive
1780 precursor_mz: 317.164187628 1941 precursor_mz: 317.164187628
1781 retention_time: 7.1 1942 retention_time: 7.1
1943 group: PM5+
1782 Num Peaks: 2 1944 Num Peaks: 2
1783 317.164187850091 100 1945 317.164187850091 100
1784 318.167542690091 14.0604467805519 1946 318.167542690091 14.0604467805519
1785 1947
1786 NAME: Buprofezin (M+H) 1948 NAME: Buprofezin (M+H)
1789 FORMULA: C16H23N3O1S1 1951 FORMULA: C16H23N3O1S1
1790 charge: 1 1952 charge: 1
1791 ionization_mode: positive 1953 ionization_mode: positive
1792 precursor_mz: 306.163459356 1954 precursor_mz: 306.163459356
1793 retention_time: 7.55 1955 retention_time: 7.55
1956 group: PM5+
1794 Num Peaks: 2 1957 Num Peaks: 2
1795 306.163459568091 100 1958 306.163459568091 100
1796 307.166814408091 17.3051652683716 1959 307.166814408091 17.3051652683716
1797 1960
1798 NAME: Carboxin (M+H) 1961 NAME: Carboxin (M+H)
1801 FORMULA: C12H13N1O2S1 1964 FORMULA: C12H13N1O2S1
1802 charge: 1 1965 charge: 1
1803 ionization_mode: positive 1966 ionization_mode: positive
1804 precursor_mz: 236.073975656 1967 precursor_mz: 236.073975656
1805 retention_time: 6.69 1968 retention_time: 6.69
1969 group: PM5+
1806 Num Peaks: 2 1970 Num Peaks: 2
1807 236.073975848091 100 1971 236.073975848091 100
1808 237.077330688091 12.9788739512787 1972 237.077330688091 12.9788739512787
1809 1973
1810 NAME: Clethodim (M+H) 1974 NAME: Clethodim (M+H)
1813 FORMULA: C17H26N1O3Cl1S1 1977 FORMULA: C17H26N1O3Cl1S1
1814 charge: 1 1978 charge: 1
1815 ionization_mode: positive 1979 ionization_mode: positive
1816 precursor_mz: 360.139468372 1980 precursor_mz: 360.139468372
1817 retention_time: 7.81 1981 retention_time: 7.81
1982 group: PM5+
1818 Num Peaks: 3 1983 Num Peaks: 3
1819 360.139468594091 100 1984 360.139468594091 100
1820 361.142823434091 18.3867380976448 1985 361.142823434091 18.3867380976448
1821 362.136518484091 31.9957761351637 1986 362.136518484091 31.9957761351637
1822 1987
1826 FORMULA: C6H8N5O2Cl1S1 1991 FORMULA: C6H8N5O2Cl1S1
1827 charge: 1 1992 charge: 1
1828 ionization_mode: positive 1993 ionization_mode: positive
1829 precursor_mz: 250.015999176 1994 precursor_mz: 250.015999176
1830 retention_time: 3.5 1995 retention_time: 3.5
1996 group: PM5+
1831 Num Peaks: 2 1997 Num Peaks: 2
1832 250.015999438091 100 1998 250.015999438091 100
1833 252.013049328091 31.9957761351637 1999 252.013049328091 31.9957761351637
1834 2000
1835 NAME: Cyazofamid (M+H) 2001 NAME: Cyazofamid (M+H)
1838 FORMULA: C13H13N4O2Cl1S1 2004 FORMULA: C13H13N4O2Cl1S1
1839 charge: 1 2005 charge: 1
1840 ionization_mode: positive 2006 ionization_mode: positive
1841 precursor_mz: 325.052050336 2007 precursor_mz: 325.052050336
1842 retention_time: 7.4 2008 retention_time: 7.4
2009 group: PM5+
1843 Num Peaks: 3 2010 Num Peaks: 3
1844 325.052050588091 100 2011 325.052050588091 100
1845 326.055405428091 14.0604467805519 2012 326.055405428091 14.0604467805519
1846 327.049100478091 31.9957761351637 2013 327.049100478091 31.9957761351637
1847 2014
1851 FORMULA: C13H9N4O1Cl2F3S1 2018 FORMULA: C13H9N4O1Cl2F3S1
1852 charge: 1 2019 charge: 1
1853 ionization_mode: positive 2020 ionization_mode: positive
1854 precursor_mz: 396.989897928 2021 precursor_mz: 396.989897928
1855 retention_time: 6.87 2022 retention_time: 6.87
2023 group: PM5+
1856 Num Peaks: 4 2024 Num Peaks: 4
1857 396.989898150091 100 2025 396.989898150091 100
1858 397.993252990091 14.0604467805519 2026 397.993252990091 14.0604467805519
1859 398.986948040091 63.9915522703273 2027 398.986948040091 63.9915522703273
1860 400.983997930091 10.2372969049151 2028 400.983997930091 10.2372969049151
1865 FORMULA: C13H18O5S1 2033 FORMULA: C13H18O5S1
1866 charge: 1 2034 charge: 1
1867 ionization_mode: positive 2035 ionization_mode: positive
1868 precursor_mz: 287.094770676 2036 precursor_mz: 287.094770676
1869 retention_time: 6.95 2037 retention_time: 6.95
2038 group: PM5+
1870 Num Peaks: 2 2039 Num Peaks: 2
1871 287.094770858091 100 2040 287.094770858091 100
1872 288.098125698091 14.0604467805519 2041 288.098125698091 14.0604467805519
1873 2042
1874 NAME: Fenamidone (M+H) 2043 NAME: Fenamidone (M+H)
1877 FORMULA: C17H17N3O1S1 2046 FORMULA: C17H17N3O1S1
1878 charge: 1 2047 charge: 1
1879 ionization_mode: positive 2048 ionization_mode: positive
1880 precursor_mz: 312.116509164 2049 precursor_mz: 312.116509164
1881 retention_time: 7.28 2050 retention_time: 7.28
2051 group: PM5+
1882 Num Peaks: 2 2052 Num Peaks: 2
1883 312.116509376091 100 2053 312.116509376091 100
1884 313.119864216091 18.3867380976448 2054 313.119864216091 18.3867380976448
1885 2055
1886 NAME: Fipronil (M+H) 2056 NAME: Fipronil (M+H)
1889 FORMULA: C12H4N4O1Cl2F6S1 2059 FORMULA: C12H4N4O1Cl2F6S1
1890 charge: 1 2060 charge: 1
1891 ionization_mode: positive 2061 ionization_mode: positive
1892 precursor_mz: 436.945982428 2062 precursor_mz: 436.945982428
1893 retention_time: 7.08 2063 retention_time: 7.08
2064 group: QCmix+
1894 Num Peaks: 4 2065 Num Peaks: 4
1895 436.945982590091 100 2066 436.945982590091 100
1896 437.949337430091 12.9788739512787 2067 437.949337430091 12.9788739512787
1897 438.943032480091 63.9915522703273 2068 438.943032480091 63.9915522703273
1898 440.940082370091 10.2372969049151 2069 440.940082370091 10.2372969049151
1899 2070
2071 NAME: Fipronil (M+H)
2072 msLevel: MS1
2073 PRECURSORTYPE: [M+H]+
2074 FORMULA: C12H4N4O1Cl2F6S1
2075 charge: 1
2076 ionization_mode: positive
2077 precursor_mz: 436.945982428
2078 retention_time: 7.08
2079 group: PM5+
2080 Num Peaks: 4
2081 436.945982590091 100
2082 437.949337430091 12.9788739512787
2083 438.943032480091 63.9915522703273
2084 440.940082370091 10.2372969049151
2085
1900 NAME: Flubendiamide (M+H) 2086 NAME: Flubendiamide (M+H)
1901 msLevel: MS1 2087 msLevel: MS1
1902 PRECURSORTYPE: [M+H]+ 2088 PRECURSORTYPE: [M+H]+
1903 FORMULA: C23H22N2O4F7I1S1 2089 FORMULA: C23H22N2O4F7I1S1
1904 charge: 1 2090 charge: 1
1905 ionization_mode: positive 2091 ionization_mode: positive
1906 precursor_mz: 683.030599724 2092 precursor_mz: 683.030599724
1907 retention_time: 7.31 2093 retention_time: 7.31
2094 group: PM5+
1908 Num Peaks: 2 2095 Num Peaks: 2
1909 683.030599786091 100 2096 683.030599786091 100
1910 684.033954626091 24.8761750732841 2097 684.033954626091 24.8761750732841
1911 2098
1912 NAME: Flufenacet (M+H) 2099 NAME: Flufenacet (M+H)
1915 FORMULA: C14H13N3O2F4S1 2102 FORMULA: C14H13N3O2F4S1
1916 charge: 1 2103 charge: 1
1917 ionization_mode: positive 2104 ionization_mode: positive
1918 precursor_mz: 364.073736536 2105 precursor_mz: 364.073736536
1919 retention_time: 7.14 2106 retention_time: 7.14
2107 group: PM5+
1920 Num Peaks: 2 2108 Num Peaks: 2
1921 364.073736668091 100 2109 364.073736668091 100
1922 365.077091508091 15.1420196098251 2110 365.077091508091 15.1420196098251
1923 2111
1924 NAME: Hexythiazox (M+H) 2112 NAME: Hexythiazox (M+H)
1927 FORMULA: C17H21N2O2Cl1S1 2115 FORMULA: C17H21N2O2Cl1S1
1928 charge: 1 2116 charge: 1
1929 ionization_mode: positive 2117 ionization_mode: positive
1930 precursor_mz: 353.108502592 2118 precursor_mz: 353.108502592
1931 retention_time: 8.01 2119 retention_time: 8.01
2120 group: PM5+
1932 Num Peaks: 3 2121 Num Peaks: 3
1933 353.108502824091 100 2122 353.108502824091 100
1934 354.111857664091 18.3867380976448 2123 354.111857664091 18.3867380976448
1935 355.105552714091 31.9957761351637 2124 355.105552714091 31.9957761351637
1936 2125
1940 FORMULA: C16H14N2O2S1 2129 FORMULA: C16H14N2O2S1
1941 charge: 1 2130 charge: 1
1942 ionization_mode: positive 2131 ionization_mode: positive
1943 precursor_mz: 299.084874688 2132 precursor_mz: 299.084874688
1944 retention_time: 7.73 2133 retention_time: 7.73
2134 group: PM5+
1945 Num Peaks: 2 2135 Num Peaks: 2
1946 299.084874890091 100 2136 299.084874890091 100
1947 300.088229730091 17.3051652683716 2137 300.088229730091 17.3051652683716
1948 2138
1949 NAME: Mesotrione (M+H) 2139 NAME: Mesotrione (M+H)
1951 PRECURSORTYPE: [M+H]+ 2141 PRECURSORTYPE: [M+H]+
1952 FORMULA: C14H13N1O7S1 2142 FORMULA: C14H13N1O7S1
1953 charge: 1 2143 charge: 1
1954 ionization_mode: positive 2144 ionization_mode: positive
1955 precursor_mz: 340.048548756 2145 precursor_mz: 340.048548756
2146 group: PM5+
1956 Num Peaks: 2 2147 Num Peaks: 2
1957 340.048548948091 100 2148 340.048548948091 100
1958 341.051903788091 15.1420196098251 2149 341.051903788091 15.1420196098251
1959 2150
1960 NAME: Methoprotryne (M+H) 2151 NAME: Methoprotryne (M+H)
1963 FORMULA: C11H21N5O1S1 2154 FORMULA: C11H21N5O1S1
1964 charge: 1 2155 charge: 1
1965 ionization_mode: positive 2156 ionization_mode: positive
1966 precursor_mz: 272.153957292 2157 precursor_mz: 272.153957292
1967 retention_time: 6.34 2158 retention_time: 6.34
2159 group: PM5+
1968 Num Peaks: 2 2160 Num Peaks: 2
1969 272.153957524091 100 2161 272.153957524091 100
1970 273.157312364091 11.8973011220055 2162 273.157312364091 11.8973011220055
1971 2163
1972 NAME: Metribuzin (M+H) 2164 NAME: Metribuzin (M+H)
1975 FORMULA: C8H14N4O1S1 2167 FORMULA: C8H14N4O1S1
1976 charge: 1 2168 charge: 1
1977 ionization_mode: positive 2169 ionization_mode: positive
1978 precursor_mz: 215.096108068 2170 precursor_mz: 215.096108068
1979 retention_time: 5.56 2171 retention_time: 5.56
2172 group: PM5+
1980 Num Peaks: 1 2173 Num Peaks: 1
1981 215.096108290091 100 2174 215.096108290091 100
1982 2175
1983 NAME: Prometryne (M+H) 2176 NAME: Prometryne (M+H)
1984 msLevel: MS1 2177 msLevel: MS1
1986 FORMULA: C10H19N5S1 2179 FORMULA: C10H19N5S1
1987 charge: 1 2180 charge: 1
1988 ionization_mode: positive 2181 ionization_mode: positive
1989 precursor_mz: 242.143392608 2182 precursor_mz: 242.143392608
1990 retention_time: 6.31 2183 retention_time: 6.31
2184 group: PM5+
1991 Num Peaks: 2 2185 Num Peaks: 2
1992 242.143392840091 100 2186 242.143392840091 100
1993 243.146747680091 10.8157282927322 2187 243.146747680091 10.8157282927322
1994 2188
1995 NAME: Propargite (M+H) 2189 NAME: Propargite (M+H)
1998 FORMULA: C19H26O4S1 2192 FORMULA: C19H26O4S1
1999 charge: 1 2193 charge: 1
2000 ionization_mode: positive 2194 ionization_mode: positive
2001 precursor_mz: 351.162456312 2195 precursor_mz: 351.162456312
2002 retention_time: 7.69 2196 retention_time: 7.69
2197 group: PM5+
2003 Num Peaks: 2 2198 Num Peaks: 2
2004 351.162456494091 100 2199 351.162456494091 100
2005 352.165811334091 20.5498837561912 2200 352.165811334091 20.5498837561912
2006 2201
2007 NAME: Prothioconazole (M+H) 2202 NAME: Prothioconazole (M+H)
2009 PRECURSORTYPE: [M+H]+ 2204 PRECURSORTYPE: [M+H]+
2010 FORMULA: C14H15N3O1Cl2S1 2205 FORMULA: C14H15N3O1Cl2S1
2011 charge: 1 2206 charge: 1
2012 ionization_mode: positive 2207 ionization_mode: positive
2013 precursor_mz: 344.03856446 2208 precursor_mz: 344.03856446
2209 group: PM5+
2014 Num Peaks: 4 2210 Num Peaks: 4
2015 344.038564732091 100 2211 344.038564732091 100
2016 345.041919572091 15.1420196098251 2212 345.041919572091 15.1420196098251
2017 346.035614622091 63.9915522703273 2213 346.035614622091 63.9915522703273
2018 348.032664512091 10.2372969049151 2214 348.032664512091 10.2372969049151
2023 FORMULA: C19H25N2O1Cl1S1 2219 FORMULA: C19H25N2O1Cl1S1
2024 charge: 1 2220 charge: 1
2025 ionization_mode: positive 2221 ionization_mode: positive
2026 precursor_mz: 365.1448881 2222 precursor_mz: 365.1448881
2027 retention_time: 8.08 2223 retention_time: 8.08
2224 group: PM5+
2028 Num Peaks: 3 2225 Num Peaks: 3
2029 365.144888332091 100 2226 365.144888332091 100
2030 366.148243172091 20.5498837561912 2227 366.148243172091 20.5498837561912
2031 367.141938222091 31.9957761351637 2228 367.141938222091 31.9957761351637
2032 2229
2036 FORMULA: C8H15N5S1 2233 FORMULA: C8H15N5S1
2037 charge: 1 2234 charge: 1
2038 ionization_mode: positive 2235 ionization_mode: positive
2039 precursor_mz: 214.11209248 2236 precursor_mz: 214.11209248
2040 retention_time: 4.97 2237 retention_time: 4.97
2238 group: PM5+
2041 Num Peaks: 1 2239 Num Peaks: 1
2042 214.112092712091 100 2240 214.112092712091 100
2043 2241
2044 NAME: Sulfentrazone (M+H) 2242 NAME: Sulfentrazone (M+H)
2045 msLevel: MS1 2243 msLevel: MS1
2047 FORMULA: C11H10N4O3Cl2F2S1 2245 FORMULA: C11H10N4O3Cl2F2S1
2048 charge: 1 2246 charge: 1
2049 ionization_mode: positive 2247 ionization_mode: positive
2050 precursor_mz: 386.98914898 2248 precursor_mz: 386.98914898
2051 retention_time: 5.92 2249 retention_time: 5.92
2250 group: PM5+
2052 Num Peaks: 4 2251 Num Peaks: 4
2053 386.989149222091 100 2252 386.989149222091 100
2054 387.992504062091 11.8973011220055 2253 387.992504062091 11.8973011220055
2055 388.986199112091 63.9915522703273 2254 388.986199112091 63.9915522703273
2056 390.983249002091 10.2372969049151 2255 390.983249002091 10.2372969049151
2061 FORMULA: C10H19N5S1 2260 FORMULA: C10H19N5S1
2062 charge: 1 2261 charge: 1
2063 ionization_mode: positive 2262 ionization_mode: positive
2064 precursor_mz: 242.143392608 2263 precursor_mz: 242.143392608
2065 retention_time: 6.31 2264 retention_time: 6.31
2265 group: PM5+
2066 Num Peaks: 2 2266 Num Peaks: 2
2067 242.143392840091 100 2267 242.143392840091 100
2068 243.146747680091 10.8157282927322 2268 243.146747680091 10.8157282927322
2069 2269
2070 NAME: Thiabendazole (M+H) 2270 NAME: Thiabendazole (M+H)
2073 FORMULA: C10H7N3S1 2273 FORMULA: C10H7N3S1
2074 charge: 1 2274 charge: 1
2075 ionization_mode: positive 2275 ionization_mode: positive
2076 precursor_mz: 202.043344224 2276 precursor_mz: 202.043344224
2077 retention_time: 3.3 2277 retention_time: 3.3
2278 group: PM5+
2078 Num Peaks: 2 2279 Num Peaks: 2
2079 202.043344436091 100 2280 202.043344436091 100
2080 203.046699276091 10.8157282927322 2281 203.046699276091 10.8157282927322
2081 2282
2082 NAME: Thiacloprid (M+H) 2283 NAME: Thiacloprid (M+H)
2085 FORMULA: C10H9N4Cl1S1 2286 FORMULA: C10H9N4Cl1S1
2086 charge: 1 2287 charge: 1
2087 ionization_mode: positive 2288 ionization_mode: positive
2088 precursor_mz: 253.030920968 2289 precursor_mz: 253.030920968
2089 retention_time: 5.32 2290 retention_time: 5.32
2291 group: PM5+
2090 Num Peaks: 3 2292 Num Peaks: 3
2091 253.030921220091 100 2293 253.030921220091 100
2092 254.034276060091 10.8157282927322 2294 254.034276060091 10.8157282927322
2093 255.027971110091 31.9957761351637 2295 255.027971110091 31.9957761351637
2094 2296
2098 FORMULA: C8H10N5O3Cl1S1 2300 FORMULA: C8H10N5O3Cl1S1
2099 charge: 1 2301 charge: 1
2100 ionization_mode: positive 2302 ionization_mode: positive
2101 precursor_mz: 292.02656386 2303 precursor_mz: 292.02656386
2102 retention_time: 2.88 2304 retention_time: 2.88
2305 group: PM5+
2103 Num Peaks: 2 2306 Num Peaks: 2
2104 292.026564122091 100 2307 292.026564122091 100
2105 294.023614012091 31.9957761351637 2308 294.023614012091 31.9957761351637
2106 2309
2107 NAME: Thiofanox (M+H) 2310 NAME: Thiofanox (M+H)
2109 PRECURSORTYPE: [M+H]+ 2312 PRECURSORTYPE: [M+H]+
2110 FORMULA: C9H18N2O2S1 2313 FORMULA: C9H18N2O2S1
2111 charge: 1 2314 charge: 1
2112 ionization_mode: positive 2315 ionization_mode: positive
2113 precursor_mz: 219.116174816 2316 precursor_mz: 219.116174816
2317 group: PM5+
2114 Num Peaks: 1 2318 Num Peaks: 1
2115 219.116175018091 100 2319 219.116175018091 100
2116 2320
2117 NAME: Tricyclazole (M+H) 2321 NAME: Tricyclazole (M+H)
2118 msLevel: MS1 2322 msLevel: MS1
2119 PRECURSORTYPE: [M+H]+ 2323 PRECURSORTYPE: [M+H]+
2120 FORMULA: C9H7N3S1 2324 FORMULA: C9H7N3S1
2121 charge: 1 2325 charge: 1
2122 ionization_mode: positive 2326 ionization_mode: positive
2123 precursor_mz: 190.043344224 2327 precursor_mz: 190.043344224
2328 group: PM5+
2124 Num Peaks: 1 2329 Num Peaks: 1
2125 190.043344436091 100 2330 190.043344436091 100
2126 2331