Mercurial > repos > recetox > matchms_split

comparison test-data/convert/ms_lima_output.msp @ 23:6864944b00fd draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author recetox
date Mon, 30 Jun 2025 13:02:23 +0000
parents 97be845e45c2
children
comparison
equal deleted inserted replaced
22:ea6c5636c0cf 23:6864944b00fd
1 NAME: Acephate
1 FORMULA: C4H10NO3PS 2 FORMULA: C4H10NO3PS
2 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N 3 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N
3 SMILES: COP(=O)(N=C(O)C)SC 4 SMILES: COP(=O)(N=C(O)C)SC
4 NAME: Acephate
5 RETENTIONTIME: 1.232997 5 RETENTIONTIME: 1.232997
6 PRECURSORMZ: 184.0194 6 PRECURSORMZ: 184.0194
7 PRECURSORTYPE: [M+H]+ 7 PRECURSORTYPE: [M+H]+
8 INSTRUMENTTYPE: LC-ESI-Orbitrap 8 INSTRUMENTTYPE: LC-ESI-Orbitrap
9 NUM PEAKS: 16 9 NUM PEAKS: 16
22 135.84808 1428.0 22 135.84808 1428.0
23 142.99275 16419.0 23 142.99275 16419.0
24 147.94205 1750.0 24 147.94205 1750.0
25 173.5094 2353.0 25 173.5094 2353.0
26 26
27 NAME: Carbaryl
27 FORMULA: C12H11NO2 28 FORMULA: C12H11NO2
28 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N 29 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
29 SMILES: CN=C(Oc1cccc2c1cccc2)O 30 SMILES: CN=C(Oc1cccc2c1cccc2)O
30 NAME: Carbaryl
31 RETENTIONTIME: 5.259445 31 RETENTIONTIME: 5.259445
32 PRECURSORMZ: 202.0863 32 PRECURSORMZ: 202.0863
33 PRECURSORTYPE: [M+H]+ 33 PRECURSORTYPE: [M+H]+
34 INSTRUMENTTYPE: LC-ESI-Orbitrap 34 INSTRUMENTTYPE: LC-ESI-Orbitrap
35 NUM PEAKS: 1 35 NUM PEAKS: 1
36 145.06491 1326147.0 36 145.06491 1326147.0
37 37
38 NAME: Dicrotophos
38 FORMULA: C8H16NO5P 39 FORMULA: C8H16NO5P
39 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N 40 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N
40 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC 41 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC
41 NAME: Dicrotophos
42 RETENTIONTIME: 2.025499 42 RETENTIONTIME: 2.025499
43 PRECURSORMZ: 238.0844 43 PRECURSORMZ: 238.0844
44 PRECURSORTYPE: [M+H]+ 44 PRECURSORTYPE: [M+H]+
45 INSTRUMENTTYPE: LC-ESI-Orbitrap 45 INSTRUMENTTYPE: LC-ESI-Orbitrap
46 NUM PEAKS: 5 46 NUM PEAKS: 5
48 112.07591 9070987.0 48 112.07591 9070987.0
49 127.01563 3230337.0 49 127.01563 3230337.0
50 193.02605 7897744.0 50 193.02605 7897744.0
51 238.08437 2973124.0 51 238.08437 2973124.0
52 52
53 NAME: Dimethoate
53 FORMULA: C5H12NO3PS2 54 FORMULA: C5H12NO3PS2
54 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N 55 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
55 SMILES: CN=C(CSP(=S)(OC)OC)O 56 SMILES: CN=C(CSP(=S)(OC)OC)O
56 NAME: Dimethoate
57 RETENTIONTIME: 2.866696 57 RETENTIONTIME: 2.866696
58 PRECURSORMZ: 230.0072 58 PRECURSORMZ: 230.0072
59 PRECURSORTYPE: [M+H]+ 59 PRECURSORTYPE: [M+H]+
60 INSTRUMENTTYPE: LC-ESI-Orbitrap 60 INSTRUMENTTYPE: LC-ESI-Orbitrap
61 NUM PEAKS: 8 61 NUM PEAKS: 8
66 170.97 1426256.0 66 170.97 1426256.0
67 197.98123 240915.0 67 197.98123 240915.0
68 198.96501 5415933.0 68 198.96501 5415933.0
69 230.00722 497851.0 69 230.00722 497851.0
70 70
71 NAME: Dimethomorph
71 FORMULA: C21H22NO4Cl 72 FORMULA: C21H22NO4Cl
72 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N 73 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
73 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl 74 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
74 NAME: Dimethomorph
75 RETENTIONTIME: 7.060486 75 RETENTIONTIME: 7.060486
76 PRECURSORMZ: 388.1316 76 PRECURSORMZ: 388.1316
77 PRECURSORTYPE: [M+H]+ 77 PRECURSORTYPE: [M+H]+
78 INSTRUMENTTYPE: LC-ESI-Orbitrap 78 INSTRUMENTTYPE: LC-ESI-Orbitrap
79 NUM PEAKS: 22 79 NUM PEAKS: 22
98 270.04492 608851.0 98 270.04492 608851.0
99 273.06772 3866006.0 99 273.06772 3866006.0
100 286.03912 483547.0 100 286.03912 483547.0
101 301.06311 4060551.0 101 301.06311 4060551.0
102 102
103 NAME: Methamidophos
103 FORMULA: C2H8NO2PS 104 FORMULA: C2H8NO2PS
104 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N 105 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N
105 SMILES: COP(=O)(SC)N 106 SMILES: COP(=O)(SC)N
106 NAME: Methamidophos
107 RETENTIONTIME: 1.153307 107 RETENTIONTIME: 1.153307
108 PRECURSORMZ: 142.0089 108 PRECURSORMZ: 142.0089
109 PRECURSORTYPE: [M+H]+ 109 PRECURSORTYPE: [M+H]+
110 INSTRUMENTTYPE: LC-ESI-Orbitrap 110 INSTRUMENTTYPE: LC-ESI-Orbitrap
111 NUM PEAKS: 4 111 NUM PEAKS: 4
112 98.00042 37721.0 112 98.00042 37721.0
113 109.98272 71172.0 113 109.98272 71172.0
114 112.01607 2867923.0 114 112.01607 2867923.0
115 127.99321 75837.0 115 127.99321 75837.0
116 116
117 NAME: Mevinphos
117 FORMULA: C7H13O6P 118 FORMULA: C7H13O6P
118 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N 119 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N
119 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C 120 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C
120 NAME: Mevinphos
121 RETENTIONTIME: 2.876307 121 RETENTIONTIME: 2.876307
122 PRECURSORMZ: 225.0525 122 PRECURSORMZ: 225.0525
123 PRECURSORTYPE: [M+H]+ 123 PRECURSORTYPE: [M+H]+
124 INSTRUMENTTYPE: LC-ESI-Orbitrap 124 INSTRUMENTTYPE: LC-ESI-Orbitrap
125 NUM PEAKS: 4 125 NUM PEAKS: 4
126 99.04416 295529.0 126 99.04416 295529.0
127 127.01563 1960973.0 127 127.01563 1960973.0
128 193.02605 1150190.0 128 193.02605 1150190.0
129 225.05209 101872.0 129 225.05209 101872.0
130 130
131 NAME: Omethoate
131 FORMULA: C5H12NO4PS 132 FORMULA: C5H12NO4PS
132 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N 133 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N
133 SMILES: CN=C(CSP(=O)(OC)OC)O 134 SMILES: CN=C(CSP(=O)(OC)OC)O
134 NAME: Omethoate
135 RETENTIONTIME: 1.33423 135 RETENTIONTIME: 1.33423
136 PRECURSORMZ: 214.0303 136 PRECURSORMZ: 214.0303
137 PRECURSORTYPE: [M+H]+ 137 PRECURSORTYPE: [M+H]+
138 INSTRUMENTTYPE: LC-ESI-Orbitrap 138 INSTRUMENTTYPE: LC-ESI-Orbitrap
139 NUM PEAKS: 5 139 NUM PEAKS: 5
141 124.98233 194375.0 141 124.98233 194375.0
142 127.01563 4696021.0 142 127.01563 4696021.0
143 128.97701 47970.0 143 128.97701 47970.0
144 142.99275 4310988.0 144 142.99275 4310988.0
145 145
146 NAME: Temephos
146 FORMULA: C16H20O6P2S3 147 FORMULA: C16H20O6P2S3
147 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N 148 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N
148 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC 149 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC
149 NAME: Temephos
150 RETENTIONTIME: 7.736881 150 RETENTIONTIME: 7.736881
151 PRECURSORMZ: 466.9978 151 PRECURSORMZ: 466.9978
152 PRECURSORTYPE: [M+H]+ 152 PRECURSORTYPE: [M+H]+
153 INSTRUMENTTYPE: LC-ESI-Orbitrap 153 INSTRUMENTTYPE: LC-ESI-Orbitrap
154 NUM PEAKS: 44 154 NUM PEAKS: 44
195 342.01566 293721.0 195 342.01566 293721.0
196 356.03104 227870.0 196 356.03104 227870.0
197 357.03922 75786.0 197 357.03922 75786.0
198 387.9765 125383.0 198 387.9765 125383.0
199 199
200 NAME: Trichlorfon
200 FORMULA: C4H8O4Cl3P 201 FORMULA: C4H8O4Cl3P
201 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N 202 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N
202 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC 203 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC
203 NAME: Trichlorfon
204 RETENTIONTIME: 2.242985 204 RETENTIONTIME: 2.242985
205 PRECURSORMZ: 256.9308 205 PRECURSORMZ: 256.9308
206 PRECURSORTYPE: [M+H]+ 206 PRECURSORTYPE: [M+H]+
207 INSTRUMENTTYPE: LC-ESI-Orbitrap 207 INSTRUMENTTYPE: LC-ESI-Orbitrap
208 NUM PEAKS: 4 208 NUM PEAKS: 4
209 93.01007 104589.0 209 93.01007 104589.0
210 97.00512 72293.0 210 97.00512 72293.0
211 112.99994 32292.0 211 112.99994 32292.0
212 127.01563 3150219.0 212 127.01563 3150219.0
213 213
214 NAME: Vamidothion
214 FORMULA: C8H18NO4PS2 215 FORMULA: C8H18NO4PS2
215 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N 216 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N
216 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O 217 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O
217 NAME: Vamidothion
218 RETENTIONTIME: 2.914602 218 RETENTIONTIME: 2.914602
219 PRECURSORMZ: 288.0491 219 PRECURSORMZ: 288.0491
220 PRECURSORTYPE: [M+H]+ 220 PRECURSORTYPE: [M+H]+
221 INSTRUMENTTYPE: LC-ESI-Orbitrap 221 INSTRUMENTTYPE: LC-ESI-Orbitrap
222 NUM PEAKS: 3 222 NUM PEAKS: 3
223 118.03215 464396.0 223 118.03215 464396.0
224 146.06366 10321336.0 224 146.06366 10321336.0
225 288.04907 1456244.0 225 288.04907 1456244.0
226 226
227 NAME: Aldicarb sulfone
227 FORMULA: C7H14N2O4S 228 FORMULA: C7H14N2O4S
228 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N 229 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N
229 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O 230 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O
230 NAME: Aldicarb sulfone
231 RETENTIONTIME: 1.483623 231 RETENTIONTIME: 1.483623
232 PRECURSORMZ: 223.075 232 PRECURSORMZ: 223.075
233 PRECURSORTYPE: [M+H]+ 233 PRECURSORTYPE: [M+H]+
234 INSTRUMENTTYPE: LC-ESI-Orbitrap 234 INSTRUMENTTYPE: LC-ESI-Orbitrap
235 NUM PEAKS: 9 235 NUM PEAKS: 9
241 166.05334 738329.0 241 166.05334 738329.0
242 208.9567 12192.0 242 208.9567 12192.0
243 223.06381 99297.0 243 223.06381 99297.0
244 223.07454 90546.0 244 223.07454 90546.0
245 245
246 NAME: Benfuracarb
246 FORMULA: C20H30N2O5S 247 FORMULA: C20H30N2O5S
247 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N 248 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N
248 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C 249 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C
249 NAME: Benfuracarb
250 RETENTIONTIME: 7.163228 250 RETENTIONTIME: 7.163228
251 PRECURSORMZ: 411.1956 251 PRECURSORMZ: 411.1956
252 PRECURSORTYPE: [M+H]+ 252 PRECURSORTYPE: [M+H]+
253 INSTRUMENTTYPE: LC-ESI-Orbitrap 253 INSTRUMENTTYPE: LC-ESI-Orbitrap
254 NUM PEAKS: 22 254 NUM PEAKS: 22
273 167.05246 131346.0 273 167.05246 131346.0
274 171.0114 23364.0 274 171.0114 23364.0
275 177.03709 172641.0 275 177.03709 172641.0
276 195.04765 2265269.0 276 195.04765 2265269.0
277 277
278 NAME: Butoxycarboxim
278 FORMULA: C7H14N2O4S 279 FORMULA: C7H14N2O4S
279 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N 280 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N
280 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O 281 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O
281 NAME: Butoxycarboxim
282 RETENTIONTIME: 1.483623 282 RETENTIONTIME: 1.483623
283 PRECURSORMZ: 223.075 283 PRECURSORMZ: 223.075
284 PRECURSORTYPE: [M+H]+ 284 PRECURSORTYPE: [M+H]+
285 INSTRUMENTTYPE: LC-ESI-Orbitrap 285 INSTRUMENTTYPE: LC-ESI-Orbitrap
286 NUM PEAKS: 9 286 NUM PEAKS: 9
292 166.05334 738329.0 292 166.05334 738329.0
293 208.9567 12192.0 293 208.9567 12192.0
294 223.06381 99297.0 294 223.06381 99297.0
295 223.07454 90546.0 295 223.07454 90546.0
296 296
297 NAME: Furathiocarb
297 FORMULA: C18H26N2O5S 298 FORMULA: C18H26N2O5S
298 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N 299 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N
299 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C 300 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C
300 NAME: Furathiocarb
301 RETENTIONTIME: 7.19165 301 RETENTIONTIME: 7.19165
302 PRECURSORMZ: 383.1642 302 PRECURSORMZ: 383.1642
303 PRECURSORTYPE: [M+H]+ 303 PRECURSORTYPE: [M+H]+
304 INSTRUMENTTYPE: LC-ESI-Orbitrap 304 INSTRUMENTTYPE: LC-ESI-Orbitrap
305 NUM PEAKS: 49 305 NUM PEAKS: 49
351 171.0114 128914.0 351 171.0114 128914.0
352 177.03709 3978125.0 352 177.03709 3978125.0
353 180.02414 213051.0 353 180.02414 213051.0
354 195.04765 11849349.0 354 195.04765 11849349.0
355 355
356 NAME: Methabenzthiazuron
356 FORMULA: C10H11N3OS 357 FORMULA: C10H11N3OS
357 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N 358 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N
358 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O 359 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O
359 NAME: Methabenzthiazuron
360 RETENTIONTIME: 6.711947 360 RETENTIONTIME: 6.711947
361 PRECURSORMZ: 222.0702 361 PRECURSORMZ: 222.0702
362 PRECURSORTYPE: [M+H]+ 362 PRECURSORTYPE: [M+H]+
363 INSTRUMENTTYPE: LC-ESI-Orbitrap 363 INSTRUMENTTYPE: LC-ESI-Orbitrap
364 NUM PEAKS: 8 364 NUM PEAKS: 8
369 132.06825 123566.0 369 132.06825 123566.0
370 150.02492 9399192.0 370 150.02492 9399192.0
371 163.03316 152108.0 371 163.03316 152108.0
372 165.04836 9598566.0 372 165.04836 9598566.0
373 373
374 NAME: Tebuthiuron
374 FORMULA: C9H16N4OS 375 FORMULA: C9H16N4OS
375 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N 376 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N
376 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O 377 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O
377 NAME: Tebuthiuron
378 RETENTIONTIME: 4.241355 378 RETENTIONTIME: 4.241355
379 PRECURSORMZ: 229.1121 379 PRECURSORMZ: 229.1121
380 PRECURSORTYPE: [M+H]+ 380 PRECURSORTYPE: [M+H]+
381 INSTRUMENTTYPE: LC-ESI-Orbitrap 381 INSTRUMENTTYPE: LC-ESI-Orbitrap
382 NUM PEAKS: 9 382 NUM PEAKS: 9
388 142.04346 1851694.0 388 142.04346 1851694.0
389 156.05936 1133851.0 389 156.05936 1133851.0
390 157.06721 6762498.0 390 157.06721 6762498.0
391 172.09081 12592908.0 391 172.09081 12592908.0
392 392
393 NAME: Thidiazuron
393 FORMULA: C9H8N4OS 394 FORMULA: C9H8N4OS
394 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N 395 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N
395 SMILES: OC(=Nc1ccccc1)Nc1cnns1 396 SMILES: OC(=Nc1ccccc1)Nc1cnns1
396 NAME: Thidiazuron
397 RETENTIONTIME: 4.909884 397 RETENTIONTIME: 4.909884
398 PRECURSORMZ: 221.0497 398 PRECURSORMZ: 221.0497
399 PRECURSORTYPE: [M+H]+ 399 PRECURSORTYPE: [M+H]+
400 INSTRUMENTTYPE: LC-ESI-Orbitrap 400 INSTRUMENTTYPE: LC-ESI-Orbitrap
401 NUM PEAKS: 7 401 NUM PEAKS: 7
405 102.0123 2547264.0 405 102.0123 2547264.0
406 105.04477 127605.0 406 105.04477 127605.0
407 120.04464 76344.0 407 120.04464 76344.0
408 127.99126 615346.0 408 127.99126 615346.0
409 409
410 NAME: Ethiofencarb
410 FORMULA: C11H15NO2S 411 FORMULA: C11H15NO2S
411 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N 412 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N
412 SMILES: CCSCc1ccccc1OC(=NC)O 413 SMILES: CCSCc1ccccc1OC(=NC)O
413 NAME: Ethiofencarb
414 RETENTIONTIME: 5.074083 414 RETENTIONTIME: 5.074083
415 PRECURSORMZ: 226.09 415 PRECURSORMZ: 226.09
416 PRECURSORTYPE: [M+H]+ 416 PRECURSORTYPE: [M+H]+
417 INSTRUMENTTYPE: LC-ESI-Orbitrap 417 INSTRUMENTTYPE: LC-ESI-Orbitrap
418 NUM PEAKS: 6 418 NUM PEAKS: 6
421 107.04936 243964.0 421 107.04936 243964.0
422 120.08101 4266.0 422 120.08101 4266.0
423 134.0966 5759.0 423 134.0966 5759.0
424 147.93529 2678.0 424 147.93529 2678.0
425 425
426 NAME: Methiocarb
426 FORMULA: C11H15NO2S 427 FORMULA: C11H15NO2S
427 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N 428 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N
428 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O 429 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O
429 NAME: Methiocarb
430 RETENTIONTIME: 6.352629 430 RETENTIONTIME: 6.352629
431 PRECURSORMZ: 226.0899 431 PRECURSORMZ: 226.0899
432 PRECURSORTYPE: [M+H]+ 432 PRECURSORTYPE: [M+H]+
433 INSTRUMENTTYPE: LC-ESI-Orbitrap 433 INSTRUMENTTYPE: LC-ESI-Orbitrap
434 NUM PEAKS: 4 434 NUM PEAKS: 4
435 121.06488 799606.0 435 121.06488 799606.0
436 122.07284 96691.0 436 122.07284 96691.0
437 169.06853 4882474.0 437 169.06853 4882474.0
438 226.08951 145633.0 438 226.08951 145633.0
439 439
440 NAME: Carbofuran
440 FORMULA: C12H15NO3 441 FORMULA: C12H15NO3
441 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N 442 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N
442 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O 443 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O
443 NAME: Carbofuran
444 RETENTIONTIME: 4.14677 444 RETENTIONTIME: 4.14677
445 PRECURSORMZ: 222.1128 445 PRECURSORMZ: 222.1128
446 PRECURSORTYPE: [M+H]+ 446 PRECURSORTYPE: [M+H]+
447 INSTRUMENTTYPE: LC-ESI-Orbitrap 447 INSTRUMENTTYPE: LC-ESI-Orbitrap
448 NUM PEAKS: 10 448 NUM PEAKS: 10
455 119.0857 227890.0 455 119.0857 227890.0
456 123.04434 10121862.0 456 123.04434 10121862.0
457 137.05997 448261.0 457 137.05997 448261.0
458 147.08089 104307.0 458 147.08089 104307.0
459 459
460 NAME: Chloroxuron
460 FORMULA: C15H15N2O2Cl 461 FORMULA: C15H15N2O2Cl
461 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N 462 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N
462 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C 463 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C
463 NAME: Chloroxuron
464 RETENTIONTIME: 6.824893 464 RETENTIONTIME: 6.824893
465 PRECURSORMZ: 291.09 465 PRECURSORMZ: 291.09
466 PRECURSORTYPE: [M+H]+ 466 PRECURSORTYPE: [M+H]+
467 INSTRUMENTTYPE: LC-ESI-Orbitrap 467 INSTRUMENTTYPE: LC-ESI-Orbitrap
468 NUM PEAKS: 34 468 NUM PEAKS: 34
499 219.04449 20961.0 499 219.04449 20961.0
500 233.15379 75598.0 500 233.15379 75598.0
501 246.03224 40845.0 501 246.03224 40845.0
502 249.18484 96150.0 502 249.18484 96150.0
503 503
504 NAME: Chlortoluron
504 FORMULA: C10H13N2OCl 505 FORMULA: C10H13N2OCl
505 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N 506 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N
506 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C 507 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C
507 NAME: Chlortoluron
508 RETENTIONTIME: 5.193264 508 RETENTIONTIME: 5.193264
509 PRECURSORMZ: 213.0795 509 PRECURSORMZ: 213.0795
510 PRECURSORTYPE: [M+H]+ 510 PRECURSORTYPE: [M+H]+
511 INSTRUMENTTYPE: LC-ESI-Orbitrap 511 INSTRUMENTTYPE: LC-ESI-Orbitrap
512 NUM PEAKS: 14 512 NUM PEAKS: 14
523 133.05254 86668.0 523 133.05254 86668.0
524 140.02612 1662428.0 524 140.02612 1662428.0
525 153.02165 91587.0 525 153.02165 91587.0
526 168.02145 83345.0 526 168.02145 83345.0
527 527
528 NAME: Cycluron
528 FORMULA: C11H22N2O 529 FORMULA: C11H22N2O
529 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N 530 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
530 SMILES: CN(C(=NC1CCCCCCC1)O)C 531 SMILES: CN(C(=NC1CCCCCCC1)O)C
531 NAME: Cycluron
532 RETENTIONTIME: 5.00998 532 RETENTIONTIME: 5.00998
533 PRECURSORMZ: 199.1809 533 PRECURSORMZ: 199.1809
534 PRECURSORTYPE: [M+H]+ 534 PRECURSORTYPE: [M+H]+
535 INSTRUMENTTYPE: LC-ESI-Orbitrap 535 INSTRUMENTTYPE: LC-ESI-Orbitrap
536 NUM PEAKS: 4 536 NUM PEAKS: 4
537 89.07108 1303776.0 537 89.07108 1303776.0
538 111.11694 18709.0 538 111.11694 18709.0
539 147.92079 14411.0 539 147.92079 14411.0
540 147.93768 15209.0 540 147.93768 15209.0
541 541
542 NAME: Diethofencarb
542 FORMULA: C14H21NO4 543 FORMULA: C14H21NO4
543 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N 544 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N
544 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O 545 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O
545 NAME: Diethofencarb
546 RETENTIONTIME: 6.124817 546 RETENTIONTIME: 6.124817
547 PRECURSORMZ: 268.1547 547 PRECURSORMZ: 268.1547
548 PRECURSORTYPE: [M+H]+ 548 PRECURSORTYPE: [M+H]+
549 INSTRUMENTTYPE: LC-ESI-Orbitrap 549 INSTRUMENTTYPE: LC-ESI-Orbitrap
550 NUM PEAKS: 7 550 NUM PEAKS: 7
554 198.0762 507187.0 554 198.0762 507187.0
555 208.09682 172166.0 555 208.09682 172166.0
556 226.10776 6612320.0 556 226.10776 6612320.0
557 268.15411 115526.0 557 268.15411 115526.0
558 558
559 NAME: Diflubenzuron
559 FORMULA: C14H9N2O2ClF2 560 FORMULA: C14H9N2O2ClF2
560 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N 561 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N
561 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O 562 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O
562 NAME: Diflubenzuron
563 RETENTIONTIME: 6.959446 563 RETENTIONTIME: 6.959446
564 PRECURSORMZ: 311.0396 564 PRECURSORMZ: 311.0396
565 PRECURSORTYPE: [M+H]+ 565 PRECURSORTYPE: [M+H]+
566 INSTRUMENTTYPE: LC-ESI-Orbitrap 566 INSTRUMENTTYPE: LC-ESI-Orbitrap
567 NUM PEAKS: 3 567 NUM PEAKS: 3
568 141.01498 340685.0 568 141.01498 340685.0
569 158.04167 9035608.0 569 158.04167 9035608.0
570 311.03952 2283440.0 570 311.03952 2283440.0
571 571
572 NAME: Diuron
572 FORMULA: C9H10N2OCl2 573 FORMULA: C9H10N2OCl2
573 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N 574 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
574 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C 575 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C
575 NAME: Diuron
576 RETENTIONTIME: 5.711479 576 RETENTIONTIME: 5.711479
577 PRECURSORMZ: 233.0248 577 PRECURSORMZ: 233.0248
578 PRECURSORTYPE: [M+H]+ 578 PRECURSORTYPE: [M+H]+
579 INSTRUMENTTYPE: LC-ESI-Orbitrap 579 INSTRUMENTTYPE: LC-ESI-Orbitrap
580 NUM PEAKS: 8 580 NUM PEAKS: 8
585 152.99777 66942.0 585 152.99777 66942.0
586 159.97182 940217.0 586 159.97182 940217.0
587 172.96721 73012.0 587 172.96721 73012.0
588 187.96654 38425.0 588 187.96654 38425.0
589 589
590 NAME: Dioxacarb
590 FORMULA: C11H13NO4 591 FORMULA: C11H13NO4
591 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N 592 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N
592 SMILES: CN=C(Oc1ccccc1C1OCCO1)O 593 SMILES: CN=C(Oc1ccccc1C1OCCO1)O
593 NAME: Dioxacarb
594 RETENTIONTIME: 2.808769 594 RETENTIONTIME: 2.808769
595 PRECURSORMZ: 224.092 595 PRECURSORMZ: 224.092
596 PRECURSORTYPE: [M+H]+ 596 PRECURSORTYPE: [M+H]+
597 INSTRUMENTTYPE: LC-ESI-Orbitrap 597 INSTRUMENTTYPE: LC-ESI-Orbitrap
598 NUM PEAKS: 6 598 NUM PEAKS: 6
601 162.05486 264649.0 601 162.05486 264649.0
602 167.07042 1519113.0 602 167.07042 1519113.0
603 208.95668 21966.0 603 208.95668 21966.0
604 224.12801 18664.0 604 224.12801 18664.0
605 605
606 NAME: Bendiocarb
606 FORMULA: C11H13NO4 607 FORMULA: C11H13NO4
607 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N 608 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N
608 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O 609 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O
609 NAME: Bendiocarb
610 RETENTIONTIME: 4.036841 610 RETENTIONTIME: 4.036841
611 PRECURSORMZ: 224.092 611 PRECURSORMZ: 224.092
612 PRECURSORTYPE: [M+H]+ 612 PRECURSORTYPE: [M+H]+
613 INSTRUMENTTYPE: LC-ESI-Orbitrap 613 INSTRUMENTTYPE: LC-ESI-Orbitrap
614 NUM PEAKS: 4 614 NUM PEAKS: 4
615 109.02843 576717.0 615 109.02843 576717.0
616 167.07042 2075283.0 616 167.07042 2075283.0
617 224.092 50305.0 617 224.092 50305.0
618 224.12801 22894.0 618 224.12801 22894.0
619 619
620 NAME: Fenobucarb
620 FORMULA: C12H17NO2 621 FORMULA: C12H17NO2
621 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N 622 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N
622 SMILES: CCC(c1ccccc1OC(=NC)O)C 623 SMILES: CCC(c1ccccc1OC(=NC)O)C
623 NAME: Fenobucarb
624 RETENTIONTIME: 5.279047 624 RETENTIONTIME: 5.279047
625 PRECURSORMZ: 208.1339 625 PRECURSORMZ: 208.1339
626 PRECURSORTYPE: [M+H]+ 626 PRECURSORTYPE: [M+H]+
627 INSTRUMENTTYPE: LC-ESI-Orbitrap 627 INSTRUMENTTYPE: LC-ESI-Orbitrap
628 NUM PEAKS: 5 628 NUM PEAKS: 5
630 151.1118 339052.0 630 151.1118 339052.0
631 152.07103 1283617.0 631 152.07103 1283617.0
632 208.13309 261671.0 632 208.13309 261671.0
633 208.15242 67196.0 633 208.15242 67196.0
634 634
635 NAME: Flufenoxuron
635 FORMULA: C21H11N2O3ClF6 636 FORMULA: C21H11N2O3ClF6
636 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N 637 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N
637 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O 638 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O
638 NAME: Flufenoxuron
639 RETENTIONTIME: 7.258582 639 RETENTIONTIME: 7.258582
640 PRECURSORMZ: 489.044 640 PRECURSORMZ: 489.044
641 PRECURSORTYPE: [M+H]+ 641 PRECURSORTYPE: [M+H]+
642 INSTRUMENTTYPE: LC-ESI-Orbitrap 642 INSTRUMENTTYPE: LC-ESI-Orbitrap
643 NUM PEAKS: 9 643 NUM PEAKS: 9
649 326.76685 460767.0 649 326.76685 460767.0
650 328.76389 301405.0 650 328.76389 301405.0
651 407.68225 401379.0 651 407.68225 401379.0
652 409.68002 103253.0 652 409.68002 103253.0
653 653
654 NAME: Fluometuron
654 FORMULA: C10H11N2OF3 655 FORMULA: C10H11N2OF3
655 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N 656 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N
656 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C 657 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C
657 NAME: Fluometuron
658 RETENTIONTIME: 4.295248 658 RETENTIONTIME: 4.295248
659 PRECURSORMZ: 233.0903 659 PRECURSORMZ: 233.0903
660 PRECURSORTYPE: [M+H]+ 660 PRECURSORTYPE: [M+H]+
661 INSTRUMENTTYPE: LC-ESI-Orbitrap 661 INSTRUMENTTYPE: LC-ESI-Orbitrap
662 NUM PEAKS: 14 662 NUM PEAKS: 14
673 173.50755 34131.0 673 173.50755 34131.0
674 178.04784 113811.0 674 178.04784 113811.0
675 188.03226 109696.0 675 188.03226 109696.0
676 192.06305 82452.0 676 192.06305 82452.0
677 677
678 NAME: Forchlorfenuron
678 FORMULA: C12H10N3OCl 679 FORMULA: C12H10N3OCl
679 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N 680 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N
680 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl 681 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl
681 NAME: Forchlorfenuron
682 RETENTIONTIME: 6.068144 682 RETENTIONTIME: 6.068144
683 PRECURSORMZ: 248.0593 683 PRECURSORMZ: 248.0593
684 PRECURSORTYPE: [M+H]+ 684 PRECURSORTYPE: [M+H]+
685 INSTRUMENTTYPE: LC-ESI-Orbitrap 685 INSTRUMENTTYPE: LC-ESI-Orbitrap
686 NUM PEAKS: 6 686 NUM PEAKS: 6
689 111.05567 15214406.0 689 111.05567 15214406.0
690 129.02182 20609304.0 690 129.02182 20609304.0
691 137.03458 1954463.0 691 137.03458 1954463.0
692 155.00107 2962225.0 692 155.00107 2962225.0
693 693
694 NAME: 3-Hydroxycarbofuran
694 FORMULA: C12H15NO4 695 FORMULA: C12H15NO4
695 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N 696 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N
696 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O 697 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O
697 NAME: 3-Hydroxycarbofuran
698 RETENTIONTIME: 2.534817 698 RETENTIONTIME: 2.534817
699 PRECURSORMZ: 238.1075 699 PRECURSORMZ: 238.1075
700 PRECURSORTYPE: [M+H]+ 700 PRECURSORTYPE: [M+H]+
701 INSTRUMENTTYPE: LC-ESI-Orbitrap 701 INSTRUMENTTYPE: LC-ESI-Orbitrap
702 NUM PEAKS: 7 702 NUM PEAKS: 7
706 207.06541 67306.0 706 207.06541 67306.0
707 208.95668 38515.0 707 208.95668 38515.0
708 220.09669 446913.0 708 220.09669 446913.0
709 238.10802 398788.0 709 238.10802 398788.0
710 710
711 NAME: Indoxacarb
711 FORMULA: C22H17N3O7ClF3 712 FORMULA: C22H17N3O7ClF3
712 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N 713 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N
713 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F 714 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
714 NAME: Indoxacarb
715 RETENTIONTIME: 7.23968 715 RETENTIONTIME: 7.23968
716 PRECURSORMZ: 528.0795 716 PRECURSORMZ: 528.0795
717 PRECURSORTYPE: [M+H]+ 717 PRECURSORTYPE: [M+H]+
718 INSTRUMENTTYPE: LC-ESI-Orbitrap 718 INSTRUMENTTYPE: LC-ESI-Orbitrap
719 NUM PEAKS: 38 719 NUM PEAKS: 38
754 217.01668 489943.0 754 217.01668 489943.0
755 218.04218 536326.0 755 218.04218 536326.0
756 219.03232 457473.0 756 219.03232 457473.0
757 223.01553 87858.0 757 223.01553 87858.0
758 758
759 NAME: Iprovalicarb
759 FORMULA: C18H28N2O3 760 FORMULA: C18H28N2O3
760 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N 761 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
761 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C 762 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C
762 NAME: Iprovalicarb
763 RETENTIONTIME: 6.291288 763 RETENTIONTIME: 6.291288
764 PRECURSORMZ: 321.218 764 PRECURSORMZ: 321.218
765 PRECURSORTYPE: [M+H]+ 765 PRECURSORTYPE: [M+H]+
766 INSTRUMENTTYPE: LC-ESI-Orbitrap 766 INSTRUMENTTYPE: LC-ESI-Orbitrap
767 NUM PEAKS: 9 767 NUM PEAKS: 9
773 161.09248 110448.0 773 161.09248 110448.0
774 186.11298 1809182.0 774 186.11298 1809182.0
775 203.13902 3619220.0 775 203.13902 3619220.0
776 321.21719 658523.0 776 321.21719 658523.0
777 777
778 NAME: Isoproturon
778 FORMULA: C12H18N2O 779 FORMULA: C12H18N2O
779 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N 780 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
780 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C 781 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C
781 NAME: Isoproturon
782 RETENTIONTIME: 4.953308 782 RETENTIONTIME: 4.953308
783 PRECURSORMZ: 207.1494 783 PRECURSORMZ: 207.1494
784 PRECURSORTYPE: [M+H]+ 784 PRECURSORTYPE: [M+H]+
785 INSTRUMENTTYPE: LC-ESI-Orbitrap 785 INSTRUMENTTYPE: LC-ESI-Orbitrap
786 NUM PEAKS: 27 786 NUM PEAKS: 27
810 137.09615 58215.0 810 137.09615 58215.0
811 147.0919 129941.0 811 147.0919 129941.0
812 162.09142 42617.0 812 162.09142 42617.0
813 165.10242 74899.0 813 165.10242 74899.0
814 814
815 NAME: Linuron
815 FORMULA: C9H10N2O2Cl2 816 FORMULA: C9H10N2O2Cl2
816 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N 817 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
817 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C 818 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C
818 NAME: Linuron
819 RETENTIONTIME: 6.428301 819 RETENTIONTIME: 6.428301
820 PRECURSORMZ: 249.0202 820 PRECURSORMZ: 249.0202
821 PRECURSORTYPE: [M+H]+ 821 PRECURSORTYPE: [M+H]+
822 INSTRUMENTTYPE: LC-ESI-Orbitrap 822 INSTRUMENTTYPE: LC-ESI-Orbitrap
823 NUM PEAKS: 17 823 NUM PEAKS: 17
837 173.98759 32777.0 837 173.98759 32777.0
838 181.0168 457538.0 838 181.0168 457538.0
839 182.02429 570846.0 839 182.02429 570846.0
840 216.99352 182540.0 840 216.99352 182540.0
841 841
842 NAME: Metobromuron
842 FORMULA: C9H11N2O2Br 843 FORMULA: C9H11N2O2Br
843 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N 844 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
844 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C 845 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C
845 NAME: Metobromuron
846 RETENTIONTIME: 5.555997 846 RETENTIONTIME: 5.555997
847 PRECURSORMZ: 259.0081 847 PRECURSORMZ: 259.0081
848 PRECURSORTYPE: [M+H]+ 848 PRECURSORTYPE: [M+H]+
849 INSTRUMENTTYPE: LC-ESI-Orbitrap 849 INSTRUMENTTYPE: LC-ESI-Orbitrap
850 NUM PEAKS: 15 850 NUM PEAKS: 15
862 169.95995 3654354.0 862 169.95995 3654354.0
863 170.96819 2866842.0 863 170.96819 2866842.0
864 183.97557 70285.0 864 183.97557 70285.0
865 226.98169 352678.0 865 226.98169 352678.0
866 866
867 NAME: Monolinuron
867 FORMULA: C9H11N2O2Cl 868 FORMULA: C9H11N2O2Cl
868 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N 869 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
869 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C 870 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C
870 NAME: Monolinuron
871 RETENTIONTIME: 5.086284 871 RETENTIONTIME: 5.086284
872 PRECURSORMZ: 215.0587 872 PRECURSORMZ: 215.0587
873 PRECURSORTYPE: [M+H]+ 873 PRECURSORTYPE: [M+H]+
874 INSTRUMENTTYPE: LC-ESI-Orbitrap 874 INSTRUMENTTYPE: LC-ESI-Orbitrap
875 NUM PEAKS: 16 875 NUM PEAKS: 16
888 141.02174 52283.0 888 141.02174 52283.0
889 147.05553 873918.0 889 147.05553 873918.0
890 148.06332 1071865.0 890 148.06332 1071865.0
891 183.03224 448058.0 891 183.03224 448058.0
892 892
893 NAME: Fenoxycarb
893 FORMULA: C17H19NO4 894 FORMULA: C17H19NO4
894 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N 895 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
895 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O 896 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O
896 NAME: Fenoxycarb
897 RETENTIONTIME: 7.007411 897 RETENTIONTIME: 7.007411
898 PRECURSORMZ: 302.1392 898 PRECURSORMZ: 302.1392
899 PRECURSORTYPE: [M+H]+ 899 PRECURSORTYPE: [M+H]+
900 INSTRUMENTTYPE: LC-ESI-Orbitrap 900 INSTRUMENTTYPE: LC-ESI-Orbitrap
901 NUM PEAKS: 4 901 NUM PEAKS: 4
902 88.03963 3398675.0 902 88.03963 3398675.0
903 116.07085 7870537.0 903 116.07085 7870537.0
904 256.09756 3714539.0 904 256.09756 3714539.0
905 302.13986 4154405.0 905 302.13986 4154405.0
906 906
907 NAME: Fenuron
907 FORMULA: C9H12N2O 908 FORMULA: C9H12N2O
908 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N 909 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
909 SMILES: CN(C(=Nc1ccccc1)O)C 910 SMILES: CN(C(=Nc1ccccc1)O)C
910 NAME: Fenuron
911 RETENTIONTIME: 2.603287 911 RETENTIONTIME: 2.603287
912 PRECURSORMZ: 165.1026 912 PRECURSORMZ: 165.1026
913 PRECURSORTYPE: [M+H]+ 913 PRECURSORTYPE: [M+H]+
914 INSTRUMENTTYPE: LC-ESI-Orbitrap 914 INSTRUMENTTYPE: LC-ESI-Orbitrap
915 NUM PEAKS: 8 915 NUM PEAKS: 8
920 95.04929 620773.0 920 95.04929 620773.0
921 104.96333 7099.0 921 104.96333 7099.0
922 105.04477 391134.0 922 105.04477 391134.0
923 120.04464 89335.0 923 120.04464 89335.0
924 924
925 NAME: Isoprocarb
925 FORMULA: C11H15NO2 926 FORMULA: C11H15NO2
926 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N 927 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
927 SMILES: CN=C(Oc1ccccc1C(C)C)O 928 SMILES: CN=C(Oc1ccccc1C(C)C)O
928 NAME: Isoprocarb
929 RETENTIONTIME: 4.552796 929 RETENTIONTIME: 4.552796
930 PRECURSORMZ: 194.1181 930 PRECURSORMZ: 194.1181
931 PRECURSORTYPE: [M+H]+ 931 PRECURSORTYPE: [M+H]+
932 INSTRUMENTTYPE: LC-ESI-Orbitrap 932 INSTRUMENTTYPE: LC-ESI-Orbitrap
933 NUM PEAKS: 4 933 NUM PEAKS: 4
934 95.04929 1741248.0 934 95.04929 1741248.0
935 137.09615 1255669.0 935 137.09615 1255669.0
936 152.07103 658146.0 936 152.07103 658146.0
937 194.11743 393850.0 937 194.11743 393850.0
938 938
939 NAME: Pyraclostrobin
939 FORMULA: C19H18N3O4Cl 940 FORMULA: C19H18N3O4Cl
940 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N 941 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
941 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC 942 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC
942 NAME: Pyraclostrobin
943 RETENTIONTIME: 7.421628 943 RETENTIONTIME: 7.421628
944 PRECURSORMZ: 388.107 944 PRECURSORMZ: 388.107
945 PRECURSORTYPE: [M+H]+ 945 PRECURSORTYPE: [M+H]+
946 INSTRUMENTTYPE: LC-ESI-Orbitrap 946 INSTRUMENTTYPE: LC-ESI-Orbitrap
947 NUM PEAKS: 11 947 NUM PEAKS: 11
955 356.07611 701579.0 955 356.07611 701579.0
956 356.08151 2958382.0 956 356.08151 2958382.0
957 357.08807 317478.0 957 357.08807 317478.0
958 388.10776 6476718.0 958 388.10776 6476718.0
959 959
960 NAME: Siduron_1
960 FORMULA: C14H20N2O 961 FORMULA: C14H20N2O
961 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N 962 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
962 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O 963 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
963 NAME: Siduron_1
964 RETENTIONTIME: 5.922128 964 RETENTIONTIME: 5.922128
965 PRECURSORMZ: 233.1652 965 PRECURSORMZ: 233.1652
966 PRECURSORTYPE: [M+H]+ 966 PRECURSORTYPE: [M+H]+
967 INSTRUMENTTYPE: LC-ESI-Orbitrap 967 INSTRUMENTTYPE: LC-ESI-Orbitrap
968 NUM PEAKS: 8 968 NUM PEAKS: 8
973 97.10134 599721.0 973 97.10134 599721.0
974 105.04506 1075144.0 974 105.04506 1075144.0
975 120.04464 1602718.0 975 120.04464 1602718.0
976 137.07117 1760320.0 976 137.07117 1760320.0
977 977
978 NAME: Siduron_2
978 FORMULA: C14H20N2O 979 FORMULA: C14H20N2O
979 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N 980 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
980 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O 981 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
981 NAME: Siduron_2
982 RETENTIONTIME: 6.048454 982 RETENTIONTIME: 6.048454
983 PRECURSORMZ: 233.1654 983 PRECURSORMZ: 233.1654
984 PRECURSORTYPE: [M+H]+ 984 PRECURSORTYPE: [M+H]+
985 INSTRUMENTTYPE: LC-ESI-Orbitrap 985 INSTRUMENTTYPE: LC-ESI-Orbitrap
986 NUM PEAKS: 8 986 NUM PEAKS: 8
991 97.10134 147324.0 991 97.10134 147324.0
992 105.04477 331107.0 992 105.04477 331107.0
993 120.04464 414038.0 993 120.04464 414038.0
994 137.07117 494688.0 994 137.07117 494688.0
995 995
996 NAME: Thiobencarb
996 FORMULA: C12H16NOClS 997 FORMULA: C12H16NOClS
997 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N 998 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
998 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC 999 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC
999 NAME: Thiobencarb
1000 RETENTIONTIME: 7.094566 1000 RETENTIONTIME: 7.094566
1001 PRECURSORMZ: 258.0717 1001 PRECURSORMZ: 258.0717
1002 PRECURSORTYPE: [M+H]+ 1002 PRECURSORTYPE: [M+H]+
1003 INSTRUMENTTYPE: LC-ESI-Orbitrap 1003 INSTRUMENTTYPE: LC-ESI-Orbitrap
1004 NUM PEAKS: 3 1004 NUM PEAKS: 3
1005 89.03883 1114558.0 1005 89.03883 1114558.0
1006 98.99973 585236.0 1006 98.99973 585236.0
1007 125.01533 28327212.0 1007 125.01533 28327212.0
1008 1008
1009 NAME: Triflumuron
1009 FORMULA: C15H10N2O3ClF3 1010 FORMULA: C15H10N2O3ClF3
1010 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N 1011 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N
1011 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F 1012 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F
1012 NAME: Triflumuron
1013 RETENTIONTIME: 6.978649 1013 RETENTIONTIME: 6.978649
1014 PRECURSORMZ: 359.0412 1014 PRECURSORMZ: 359.0412
1015 PRECURSORTYPE: [M+H]+ 1015 PRECURSORTYPE: [M+H]+
1016 INSTRUMENTTYPE: LC-ESI-Orbitrap 1016 INSTRUMENTTYPE: LC-ESI-Orbitrap
1017 NUM PEAKS: 7 1017 NUM PEAKS: 7
1021 138.99484 9851099.0 1021 138.99484 9851099.0
1022 139.00452 474854.0 1022 139.00452 474854.0
1023 156.02116 3353307.0 1023 156.02116 3353307.0
1024 178.04784 200379.0 1024 178.04784 200379.0
1025 1025
1026 NAME: Propham
1026 FORMULA: C10H13NO2 1027 FORMULA: C10H13NO2
1027 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N 1028 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
1028 SMILES: CC(OC(=Nc1ccccc1)O)C 1029 SMILES: CC(OC(=Nc1ccccc1)O)C
1029 NAME: Propham
1030 RETENTIONTIME: 6.134321 1030 RETENTIONTIME: 6.134321
1031 PRECURSORMZ: 180.1022 1031 PRECURSORMZ: 180.1022
1032 PRECURSORTYPE: [M+H]+ 1032 PRECURSORTYPE: [M+H]+
1033 INSTRUMENTTYPE: LC-ESI-Orbitrap 1033 INSTRUMENTTYPE: LC-ESI-Orbitrap
1034 NUM PEAKS: 13 1034 NUM PEAKS: 13
1044 117.0574 2236.0 1044 117.0574 2236.0
1045 124.03935 187312.0 1045 124.03935 187312.0
1046 134.0237 14609.0 1046 134.0237 14609.0
1047 152.0343 3135.0 1047 152.0343 3135.0
1048 1048
1049 NAME: Propoxur
1049 FORMULA: C11H15NO3 1050 FORMULA: C11H15NO3
1050 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N 1051 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
1051 SMILES: CN=C(Oc1ccccc1OC(C)C)O 1052 SMILES: CN=C(Oc1ccccc1OC(C)C)O
1052 NAME: Propoxur
1053 RETENTIONTIME: 3.894733 1053 RETENTIONTIME: 3.894733
1054 PRECURSORMZ: 210.1129 1054 PRECURSORMZ: 210.1129
1055 PRECURSORTYPE: [M+H]+ 1055 PRECURSORTYPE: [M+H]+
1056 INSTRUMENTTYPE: LC-ESI-Orbitrap 1056 INSTRUMENTTYPE: LC-ESI-Orbitrap
1057 NUM PEAKS: 6 1057 NUM PEAKS: 6
1060 153.09126 254920.0 1060 153.09126 254920.0
1061 168.06589 785437.0 1061 168.06589 785437.0
1062 199.97662 26875.0 1062 199.97662 26875.0
1063 210.11256 38244.0 1063 210.11256 38244.0
1064 1064
1065 NAME: Neburon
1065 FORMULA: C12H16N2OCl2 1066 FORMULA: C12H16N2OCl2
1066 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N 1067 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N
1067 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C 1068 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C
1068 NAME: Neburon
1069 RETENTIONTIME: 6.834164 1069 RETENTIONTIME: 6.834164
1070 PRECURSORMZ: 275.0721 1070 PRECURSORMZ: 275.0721
1071 PRECURSORTYPE: [M+H]+ 1071 PRECURSORTYPE: [M+H]+
1072 INSTRUMENTTYPE: LC-ESI-Orbitrap 1072 INSTRUMENTTYPE: LC-ESI-Orbitrap
1073 NUM PEAKS: 12 1073 NUM PEAKS: 12
1082 161.98734 127589.0 1082 161.98734 127589.0
1083 172.9666 45053.0 1083 172.9666 45053.0
1084 173.50816 20256.0 1084 173.50816 20256.0
1085 187.96652 106090.0 1085 187.96652 106090.0
1086 1086
1087 NAME: Pirimicarb
1087 FORMULA: C11H18N4O2 1088 FORMULA: C11H18N4O2
1088 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N 1089 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
1089 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C 1090 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
1090 NAME: Pirimicarb
1091 RETENTIONTIME: 2.886323 1091 RETENTIONTIME: 2.886323
1092 PRECURSORMZ: 239.1508 1092 PRECURSORMZ: 239.1508
1093 PRECURSORTYPE: [M+H]+ 1093 PRECURSORTYPE: [M+H]+
1094 INSTRUMENTTYPE: LC-ESI-Orbitrap 1094 INSTRUMENTTYPE: LC-ESI-Orbitrap
1095 NUM PEAKS: 16 1095 NUM PEAKS: 16
1108 168.11327 14402.0 1108 168.11327 14402.0
1109 180.11363 53047.0 1109 180.11363 53047.0
1110 182.12914 1046026.0 1110 182.12914 1046026.0
1111 195.16029 68565.0 1111 195.16029 68565.0
1112 1112
1113 NAME: Promecarb
1113 FORMULA: C12H17NO2 1114 FORMULA: C12H17NO2
1114 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N 1115 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
1115 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O 1116 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O
1116 NAME: Promecarb
1117 RETENTIONTIME: 5.65392 1117 RETENTIONTIME: 5.65392
1118 PRECURSORMZ: 208.1339 1118 PRECURSORMZ: 208.1339
1119 PRECURSORTYPE: [M+H]+ 1119 PRECURSORTYPE: [M+H]+
1120 INSTRUMENTTYPE: LC-ESI-Orbitrap 1120 INSTRUMENTTYPE: LC-ESI-Orbitrap
1121 NUM PEAKS: 3 1121 NUM PEAKS: 3
1122 109.0651 1911986.0 1122 109.0651 1911986.0
1123 151.1118 3833728.0 1123 151.1118 3833728.0
1124 208.13309 173991.0 1124 208.13309 173991.0
1125 1125
1126 NAME: Ametryn
1126 FORMULA: C9H17N5S 1127 FORMULA: C9H17N5S
1127 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N 1128 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
1128 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 1129 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
1129 NAME: Ametryn
1130 RETENTIONTIME: 4.38309 1130 RETENTIONTIME: 4.38309
1131 PRECURSORMZ: 228.1282 1131 PRECURSORMZ: 228.1282
1132 PRECURSORTYPE: [M+H]+ 1132 PRECURSORTYPE: [M+H]+
1133 INSTRUMENTTYPE: LC-ESI-Orbitrap 1133 INSTRUMENTTYPE: LC-ESI-Orbitrap
1134 NUM PEAKS: 15 1134 NUM PEAKS: 15
1146 158.04967 1355067.0 1146 158.04967 1355067.0
1147 184.06534 61690.0 1147 184.06534 61690.0
1148 186.08095 4152044.0 1148 186.08095 4152044.0
1149 228.12772 94575.0 1149 228.12772 94575.0
1150 1150
1151 NAME: Azoxystrobin
1151 FORMULA: C22H17N3O5 1152 FORMULA: C22H17N3O5
1152 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N 1153 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N
1153 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC 1154 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC
1154 NAME: Azoxystrobin
1155 RETENTIONTIME: 6.9269 1155 RETENTIONTIME: 6.9269
1156 PRECURSORMZ: 404.1249 1156 PRECURSORMZ: 404.1249
1157 PRECURSORTYPE: [M+H]+ 1157 PRECURSORTYPE: [M+H]+
1158 INSTRUMENTTYPE: LC-ESI-Orbitrap 1158 INSTRUMENTTYPE: LC-ESI-Orbitrap
1159 NUM PEAKS: 46 1159 NUM PEAKS: 46
1202 328.07382 3766201.0 1202 328.07382 3766201.0
1203 329.08087 15964814.0 1203 329.08087 15964814.0
1204 344.10461 2718360.0 1204 344.10461 2718360.0
1205 372.10004 167044.0 1205 372.10004 167044.0
1206 1206
1207 NAME: Benalaxyl
1207 FORMULA: C20H23NO3 1208 FORMULA: C20H23NO3
1208 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N 1209 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N
1209 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C 1210 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C
1210 NAME: Benalaxyl
1211 RETENTIONTIME: 7.079875 1211 RETENTIONTIME: 7.079875
1212 PRECURSORMZ: 326.1756 1212 PRECURSORMZ: 326.1756
1213 PRECURSORTYPE: [M+H]+ 1213 PRECURSORTYPE: [M+H]+
1214 INSTRUMENTTYPE: LC-ESI-Orbitrap 1214 INSTRUMENTTYPE: LC-ESI-Orbitrap
1215 NUM PEAKS: 8 1215 NUM PEAKS: 8
1220 121.08883 11501126.0 1220 121.08883 11501126.0
1221 122.09673 517871.0 1221 122.09673 517871.0
1222 133.08878 546024.0 1222 133.08878 546024.0
1223 148.11217 23207426.0 1223 148.11217 23207426.0
1224 1224
1225 NAME: Boscalid
1225 FORMULA: C18H12N2OCl2 1226 FORMULA: C18H12N2OCl2
1226 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N 1227 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
1227 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O 1228 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O
1228 NAME: Boscalid
1229 RETENTIONTIME: 6.811709 1229 RETENTIONTIME: 6.811709
1230 PRECURSORMZ: 343.0408 1230 PRECURSORMZ: 343.0408
1231 PRECURSORTYPE: [M+H]+ 1231 PRECURSORTYPE: [M+H]+
1232 INSTRUMENTTYPE: LC-ESI-Orbitrap 1232 INSTRUMENTTYPE: LC-ESI-Orbitrap
1233 NUM PEAKS: 27 1233 NUM PEAKS: 27
1257 289.05276 1245064.0 1257 289.05276 1245064.0
1258 305.04871 107573.0 1258 305.04871 107573.0
1259 306.05643 72921.0 1259 306.05643 72921.0
1260 307.06335 2958245.0 1260 307.06335 2958245.0
1261 1261
1262 NAME: Carbetamide
1262 FORMULA: C12H16N2O3 1263 FORMULA: C12H16N2O3
1263 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N 1264 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N
1264 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O 1265 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O
1265 NAME: Carbetamide
1266 RETENTIONTIME: 3.923062 1266 RETENTIONTIME: 3.923062
1267 PRECURSORMZ: 237.1238 1267 PRECURSORMZ: 237.1238
1268 PRECURSORTYPE: [M+H]+ 1268 PRECURSORTYPE: [M+H]+
1269 INSTRUMENTTYPE: LC-ESI-Orbitrap 1269 INSTRUMENTTYPE: LC-ESI-Orbitrap
1270 NUM PEAKS: 12 1270 NUM PEAKS: 12
1279 192.0659 2143350.0 1279 192.0659 2143350.0
1280 237.07993 102575.0 1280 237.07993 102575.0
1281 237.09068 314588.0 1281 237.09068 314588.0
1282 237.12401 187935.0 1282 237.12401 187935.0
1283 1283
1284 NAME: Carfentrazone ethyl
1284 FORMULA: C15H14N3O3Cl2F3 1285 FORMULA: C15H14N3O3Cl2F3
1285 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N 1286 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N
1286 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl 1287 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl
1287 NAME: Carfentrazone ethyl
1288 RETENTIONTIME: 6.898515 1288 RETENTIONTIME: 6.898515
1289 PRECURSORMZ: 412.045 1289 PRECURSORMZ: 412.045
1290 PRECURSORTYPE: [M+H]+ 1290 PRECURSORTYPE: [M+H]+
1291 INSTRUMENTTYPE: LC-ESI-Orbitrap 1291 INSTRUMENTTYPE: LC-ESI-Orbitrap
1292 NUM PEAKS: 75 1292 NUM PEAKS: 75
1364 318.00153 484008.0 1364 318.00153 484008.0
1365 320.04153 58056.0 1365 320.04153 58056.0
1366 338.00775 410316.0 1366 338.00775 410316.0
1367 345.99677 2618042.0 1367 345.99677 2618042.0
1368 1368
1369 NAME: Chlorantraniliprole
1369 FORMULA: C18H14N5O2BrCl2 1370 FORMULA: C18H14N5O2BrCl2
1370 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N 1371 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N
1371 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O 1372 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O
1372 NAME: Chlorantraniliprole
1373 RETENTIONTIME: 6.589343 1373 RETENTIONTIME: 6.589343
1374 PRECURSORMZ: 481.9785 1374 PRECURSORMZ: 481.9785
1375 PRECURSORTYPE: [M+H]+ 1375 PRECURSORTYPE: [M+H]+
1376 INSTRUMENTTYPE: LC-ESI-Orbitrap 1376 INSTRUMENTTYPE: LC-ESI-Orbitrap
1377 NUM PEAKS: 4 1377 NUM PEAKS: 4
1378 283.92297 5735542.0 1378 283.92297 5735542.0
1379 450.93774 4907420.0 1379 450.93774 4907420.0
1380 463.96796 71876.0 1380 463.96796 71876.0
1381 481.97949 1501231.0 1381 481.97949 1501231.0
1382 1382
1383 NAME: Clofentezine
1383 FORMULA: C14H8N4Cl2 1384 FORMULA: C14H8N4Cl2
1384 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N 1385 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N
1385 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl 1386 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl
1386 NAME: Clofentezine
1387 RETENTIONTIME: 7.397017 1387 RETENTIONTIME: 7.397017
1388 PRECURSORMZ: 303.0207 1388 PRECURSORMZ: 303.0207
1389 PRECURSORTYPE: [M+H]+ 1389 PRECURSORTYPE: [M+H]+
1390 INSTRUMENTTYPE: LC-ESI-Orbitrap 1390 INSTRUMENTTYPE: LC-ESI-Orbitrap
1391 NUM PEAKS: 5 1391 NUM PEAKS: 5
1393 102.03414 382179.0 1393 102.03414 382179.0
1394 120.04463 495630.0 1394 120.04463 495630.0
1395 130.04021 2783936.0 1395 130.04021 2783936.0
1396 138.01057 2494447.0 1396 138.01057 2494447.0
1397 1397
1398 NAME: Cyprodinil
1398 FORMULA: C14H15N3 1399 FORMULA: C14H15N3
1399 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N 1400 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N
1400 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1 1401 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1
1401 NAME: Cyprodinil
1402 RETENTIONTIME: 6.669806 1402 RETENTIONTIME: 6.669806
1403 PRECURSORMZ: 226.1346 1403 PRECURSORMZ: 226.1346
1404 PRECURSORTYPE: [M+H]+ 1404 PRECURSORTYPE: [M+H]+
1405 INSTRUMENTTYPE: LC-ESI-Orbitrap 1405 INSTRUMENTTYPE: LC-ESI-Orbitrap
1406 NUM PEAKS: 68 1406 NUM PEAKS: 68
1471 210.10275 4134248.0 1471 210.10275 4134248.0
1472 211.11086 699261.0 1472 211.11086 699261.0
1473 224.1181 912227.0 1473 224.1181 912227.0
1474 226.13422 16374867.0 1474 226.13422 16374867.0
1475 1475
1476 NAME: Cyromazine_1
1476 FORMULA: C6H10N6 1477 FORMULA: C6H10N6
1477 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N 1478 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
1478 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 1479 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
1479 NAME: Cyromazine_1
1480 RETENTIONTIME: 0.7250975 1480 RETENTIONTIME: 0.7250975
1481 PRECURSORMZ: 167.1043 1481 PRECURSORMZ: 167.1043
1482 PRECURSORTYPE: [M+H]+ 1482 PRECURSORTYPE: [M+H]+
1483 INSTRUMENTTYPE: LC-ESI-Orbitrap 1483 INSTRUMENTTYPE: LC-ESI-Orbitrap
1484 NUM PEAKS: 9 1484 NUM PEAKS: 9
1490 139.07271 33973.0 1490 139.07271 33973.0
1491 150.0777 7345.0 1491 150.0777 7345.0
1492 151.07292 35146.0 1492 151.07292 35146.0
1493 167.10403 54669.0 1493 167.10403 54669.0
1494 1494
1495 NAME: Cyromazine_2
1495 FORMULA: C6H10N6 1496 FORMULA: C6H10N6
1496 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N 1497 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
1497 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 1498 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
1498 NAME: Cyromazine_2
1499 RETENTIONTIME: 1.057777 1499 RETENTIONTIME: 1.057777
1500 PRECURSORMZ: 167.1043 1500 PRECURSORMZ: 167.1043
1501 PRECURSORTYPE: [M+H]+ 1501 PRECURSORTYPE: [M+H]+
1502 INSTRUMENTTYPE: LC-ESI-Orbitrap 1502 INSTRUMENTTYPE: LC-ESI-Orbitrap
1503 NUM PEAKS: 12 1503 NUM PEAKS: 12
1512 150.0777 3986.0 1512 150.0777 3986.0
1513 151.07292 16833.0 1513 151.07292 16833.0
1514 155.01868 3272.0 1514 155.01868 3272.0
1515 167.10403 33800.0 1515 167.10403 33800.0
1516 1516
1517 NAME: Dimoxystrobin
1517 FORMULA: C19H22N2O3 1518 FORMULA: C19H22N2O3
1518 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N 1519 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N
1519 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O 1520 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O
1520 NAME: Dimoxystrobin
1521 RETENTIONTIME: 7.042906 1521 RETENTIONTIME: 7.042906
1522 PRECURSORMZ: 327.1716 1522 PRECURSORMZ: 327.1716
1523 PRECURSORTYPE: [M+H]+ 1523 PRECURSORTYPE: [M+H]+
1524 INSTRUMENTTYPE: LC-ESI-Orbitrap 1524 INSTRUMENTTYPE: LC-ESI-Orbitrap
1525 NUM PEAKS: 25 1525 NUM PEAKS: 25
1547 221.09647 105352.0 1547 221.09647 105352.0
1548 222.09152 46935.0 1548 222.09152 46935.0
1549 222.10396 66419.0 1549 222.10396 66419.0
1550 223.09956 719508.0 1550 223.09956 719508.0
1551 1551
1552 NAME: Fenazaquin
1552 FORMULA: C20H22N2O 1553 FORMULA: C20H22N2O
1553 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N 1554 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
1554 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C 1555 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C
1555 NAME: Fenazaquin
1556 RETENTIONTIME: 7.977267 1556 RETENTIONTIME: 7.977267
1557 PRECURSORMZ: 307.1813 1557 PRECURSORMZ: 307.1813
1558 PRECURSORTYPE: [M+H]+ 1558 PRECURSORTYPE: [M+H]+
1559 INSTRUMENTTYPE: LC-ESI-Orbitrap 1559 INSTRUMENTTYPE: LC-ESI-Orbitrap
1560 NUM PEAKS: 14 1560 NUM PEAKS: 14
1571 145.10149 85536.0 1571 145.10149 85536.0
1572 146.10915 4833104.0 1572 146.10915 4833104.0
1573 147.05551 4215618.0 1573 147.05551 4215618.0
1574 161.13255 3701806.0 1574 161.13255 3701806.0
1575 1575
1576 NAME: Fenhexamid
1576 FORMULA: C14H17NO2Cl2 1577 FORMULA: C14H17NO2Cl2
1577 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N 1578 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
1578 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1 1579 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1
1579 NAME: Fenhexamid
1580 RETENTIONTIME: 6.679342 1580 RETENTIONTIME: 6.679342
1581 PRECURSORMZ: 302.0717 1581 PRECURSORMZ: 302.0717
1582 PRECURSORTYPE: [M+H]+ 1582 PRECURSORTYPE: [M+H]+
1583 INSTRUMENTTYPE: LC-ESI-Orbitrap 1583 INSTRUMENTTYPE: LC-ESI-Orbitrap
1584 NUM PEAKS: 6 1584 NUM PEAKS: 6
1587 142.00574 470488.0 1587 142.00574 470488.0
1588 143.0134 1124724.0 1588 143.0134 1124724.0
1589 177.98218 162637.0 1589 177.98218 162637.0
1590 302.0708 49250.0 1590 302.0708 49250.0
1591 1591
1592 NAME: Fenpyroximate
1592 FORMULA: C24H27N3O4 1593 FORMULA: C24H27N3O4
1593 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N 1594 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N
1594 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C 1595 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C
1595 NAME: Fenpyroximate
1596 RETENTIONTIME: 7.825895 1596 RETENTIONTIME: 7.825895
1597 PRECURSORMZ: 422.2081 1597 PRECURSORMZ: 422.2081
1598 PRECURSORTYPE: [M+H]+ 1598 PRECURSORTYPE: [M+H]+
1599 INSTRUMENTTYPE: LC-ESI-Orbitrap 1599 INSTRUMENTTYPE: LC-ESI-Orbitrap
1600 NUM PEAKS: 90 1600 NUM PEAKS: 90
1687 215.10576 1548726.0 1687 215.10576 1548726.0
1688 230.09335 285190.0 1688 230.09335 285190.0
1689 231.10078 772223.0 1689 231.10078 772223.0
1690 366.14682 271014.0 1690 366.14682 271014.0
1691 1691
1692 NAME: Flonicamid
1692 FORMULA: C9H6N3OF3 1693 FORMULA: C9H6N3OF3
1693 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N 1694 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N
1694 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O 1695 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O
1695 NAME: Flonicamid
1696 RETENTIONTIME: 1.603478 1696 RETENTIONTIME: 1.603478
1697 PRECURSORMZ: 230.054 1697 PRECURSORMZ: 230.054
1698 PRECURSORTYPE: [M+H]+ 1698 PRECURSORTYPE: [M+H]+
1699 INSTRUMENTTYPE: LC-ESI-Orbitrap 1699 INSTRUMENTTYPE: LC-ESI-Orbitrap
1700 NUM PEAKS: 22 1700 NUM PEAKS: 22
1719 175.0481 152887.0 1719 175.0481 152887.0
1720 176.0318 1685318.0 1720 176.0318 1685318.0
1721 183.0369 1014810.0 1721 183.0369 1014810.0
1722 203.04269 761411.0 1722 203.04269 761411.0
1723 1723
1724 NAME: Fluoxastrobin
1724 FORMULA: C21H16N4O5ClF 1725 FORMULA: C21H16N4O5ClF
1725 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N 1726 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N
1726 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1 1727 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1
1727 NAME: Fluoxastrobin
1728 RETENTIONTIME: 7.061409 1728 RETENTIONTIME: 7.061409
1729 PRECURSORMZ: 459.0882 1729 PRECURSORMZ: 459.0882
1730 PRECURSORTYPE: [M+H]+ 1730 PRECURSORTYPE: [M+H]+
1731 INSTRUMENTTYPE: LC-ESI-Orbitrap 1731 INSTRUMENTTYPE: LC-ESI-Orbitrap
1732 NUM PEAKS: 85 1732 NUM PEAKS: 85
1814 340.02972 444209.0 1814 340.02972 444209.0
1815 342.04449 118004.0 1815 342.04449 118004.0
1816 367.03973 216560.0 1816 367.03973 216560.0
1817 383.03424 104628.0 1817 383.03424 104628.0
1818 1818
1819 NAME: Flutolanil
1819 FORMULA: C17H16NO2F3 1820 FORMULA: C17H16NO2F3
1820 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N 1821 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
1821 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C 1822 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C
1822 NAME: Flutolanil
1823 RETENTIONTIME: 6.193638 1823 RETENTIONTIME: 6.193638
1824 PRECURSORMZ: 324.1214 1824 PRECURSORMZ: 324.1214
1825 PRECURSORTYPE: [M+H]+ 1825 PRECURSORTYPE: [M+H]+
1826 INSTRUMENTTYPE: LC-ESI-Orbitrap 1826 INSTRUMENTTYPE: LC-ESI-Orbitrap
1827 NUM PEAKS: 12 1827 NUM PEAKS: 12
1836 222.05511 217155.0 1836 222.05511 217155.0
1837 242.05533 161728.0 1837 242.05533 161728.0
1838 242.06139 15929322.0 1838 242.06139 15929322.0
1839 262.06796 878870.0 1839 262.06796 878870.0
1840 1840
1841 NAME: Furalaxyl
1841 FORMULA: C17H19NO4 1842 FORMULA: C17H19NO4
1842 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N 1843 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N
1843 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C 1844 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C
1844 NAME: Furalaxyl
1845 RETENTIONTIME: 6.193638 1845 RETENTIONTIME: 6.193638
1846 PRECURSORMZ: 302.1392 1846 PRECURSORMZ: 302.1392
1847 PRECURSORTYPE: [M+H]+ 1847 PRECURSORTYPE: [M+H]+
1848 INSTRUMENTTYPE: LC-ESI-Orbitrap 1848 INSTRUMENTTYPE: LC-ESI-Orbitrap
1849 NUM PEAKS: 1 1849 NUM PEAKS: 1
1850 95.01299 22120298.0 1850 95.01299 22120298.0
1851 1851
1852 NAME: Imazalil
1852 FORMULA: C14H14N2OCl2 1853 FORMULA: C14H14N2OCl2
1853 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N 1854 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N
1854 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1 1855 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
1855 NAME: Imazalil
1856 RETENTIONTIME: 3.913752 1856 RETENTIONTIME: 3.913752
1857 PRECURSORMZ: 297.0566 1857 PRECURSORMZ: 297.0566
1858 PRECURSORTYPE: [M+H]+ 1858 PRECURSORTYPE: [M+H]+
1859 INSTRUMENTTYPE: LC-ESI-Orbitrap 1859 INSTRUMENTTYPE: LC-ESI-Orbitrap
1860 NUM PEAKS: 17 1860 NUM PEAKS: 17
1874 176.0387 901695.0 1874 176.0387 901695.0
1875 186.97179 139839.0 1875 186.97179 139839.0
1876 200.98682 142186.0 1876 200.98682 142186.0
1877 255.00883 411510.0 1877 255.00883 411510.0
1878 1878
1879 NAME: Imidacloprid
1879 FORMULA: C9H10N5O2Cl 1880 FORMULA: C9H10N5O2Cl
1880 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N 1881 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N
1881 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl 1882 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl
1882 NAME: Imidacloprid
1883 RETENTIONTIME: 3.079668 1883 RETENTIONTIME: 3.079668
1884 PRECURSORMZ: 256.0602 1884 PRECURSORMZ: 256.0602
1885 PRECURSORTYPE: [M+H]+ 1885 PRECURSORTYPE: [M+H]+
1886 INSTRUMENTTYPE: LC-ESI-Orbitrap 1886 INSTRUMENTTYPE: LC-ESI-Orbitrap
1887 NUM PEAKS: 36 1887 NUM PEAKS: 36
1920 194.04849 73037.0 1920 194.04849 73037.0
1921 208.05171 91411.0 1921 208.05171 91411.0
1922 209.05724 1316587.0 1922 209.05724 1316587.0
1923 209.05885 3531093.0 1923 209.05885 3531093.0
1924 1924
1925 NAME: Mandipropamid
1925 FORMULA: C23H22NO4Cl 1926 FORMULA: C23H22NO4Cl
1926 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N 1927 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N
1927 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O 1928 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O
1928 NAME: Mandipropamid
1929 RETENTIONTIME: 6.964275 1929 RETENTIONTIME: 6.964275
1930 PRECURSORMZ: 412.1314 1930 PRECURSORMZ: 412.1314
1931 PRECURSORTYPE: [M+H]+ 1931 PRECURSORTYPE: [M+H]+
1932 INSTRUMENTTYPE: LC-ESI-Orbitrap 1932 INSTRUMENTTYPE: LC-ESI-Orbitrap
1933 NUM PEAKS: 5 1933 NUM PEAKS: 5
1935 328.11053 16472820.0 1935 328.11053 16472820.0
1936 356.10495 7175862.0 1936 356.10495 7175862.0
1937 412.04471 215694.0 1937 412.04471 215694.0
1938 412.13226 2828841.0 1938 412.13226 2828841.0
1939 1939
1940 NAME: Mepanipyrim
1940 FORMULA: C14H13N3 1941 FORMULA: C14H13N3
1941 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N 1942 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N
1942 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C 1943 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C
1943 NAME: Mepanipyrim
1944 RETENTIONTIME: 6.936112 1944 RETENTIONTIME: 6.936112
1945 PRECURSORMZ: 224.1185 1945 PRECURSORMZ: 224.1185
1946 PRECURSORTYPE: [M+H]+ 1946 PRECURSORTYPE: [M+H]+
1947 INSTRUMENTTYPE: LC-ESI-Orbitrap 1947 INSTRUMENTTYPE: LC-ESI-Orbitrap
1948 NUM PEAKS: 102 1948 NUM PEAKS: 102
2047 221.09558 532629.0 2047 221.09558 532629.0
2048 222.10307 5281894.0 2048 222.10307 5281894.0
2049 223.11121 2054946.0 2049 223.11121 2054946.0
2050 224.119 13923746.0 2050 224.119 13923746.0
2051 2051
2052 NAME: Dinotefuran
2052 FORMULA: C7H14N4O3 2053 FORMULA: C7H14N4O3
2053 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N 2054 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N
2054 SMILES: CN=C(NN(=O)=O)NCC1COCC1 2055 SMILES: CN=C(NN(=O)=O)NCC1COCC1
2055 NAME: Dinotefuran
2056 RETENTIONTIME: 1.502809 2056 RETENTIONTIME: 1.502809
2057 PRECURSORMZ: 203.1141 2057 PRECURSORMZ: 203.1141
2058 PRECURSORTYPE: [M+H]+ 2058 PRECURSORTYPE: [M+H]+
2059 INSTRUMENTTYPE: LC-ESI-Orbitrap 2059 INSTRUMENTTYPE: LC-ESI-Orbitrap
2060 NUM PEAKS: 13 2060 NUM PEAKS: 13
2070 129.12611 128089.0 2070 129.12611 128089.0
2071 157.12112 345152.0 2071 157.12112 345152.0
2072 173.11627 46987.0 2072 173.11627 46987.0
2073 203.11415 399504.0 2073 203.11415 399504.0
2074 2074
2075 NAME: Metaflumizone
2075 FORMULA: C24H16N4O2F6 2076 FORMULA: C24H16N4O2F6
2076 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N 2077 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
2077 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F 2078 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F
2078 NAME: Metaflumizone
2079 RETENTIONTIME: 7.19479 2079 RETENTIONTIME: 7.19479
2080 PRECURSORMZ: 507.1251 2080 PRECURSORMZ: 507.1251
2081 PRECURSORTYPE: [M+H]+ 2081 PRECURSORTYPE: [M+H]+
2082 INSTRUMENTTYPE: LC-ESI-Orbitrap 2082 INSTRUMENTTYPE: LC-ESI-Orbitrap
2083 NUM PEAKS: 33 2083 NUM PEAKS: 33
2113 286.07156 143270.0 2113 286.07156 143270.0
2114 287.07932 2154516.0 2114 287.07932 2154516.0
2115 288.0871 575359.0 2115 288.0871 575359.0
2116 330.08609 207585.0 2116 330.08609 207585.0
2117 2117
2118 NAME: Metalaxyl
2118 FORMULA: C15H21NO4 2119 FORMULA: C15H21NO4
2119 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N 2120 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N
2120 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C 2121 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
2121 NAME: Metalaxyl
2122 RETENTIONTIME: 5.550616 2122 RETENTIONTIME: 5.550616
2123 PRECURSORMZ: 280.1547 2123 PRECURSORMZ: 280.1547
2124 PRECURSORTYPE: [M+H]+ 2124 PRECURSORTYPE: [M+H]+
2125 INSTRUMENTTYPE: LC-ESI-Orbitrap 2125 INSTRUMENTTYPE: LC-ESI-Orbitrap
2126 NUM PEAKS: 24 2126 NUM PEAKS: 24
2147 162.12798 1800051.0 2147 162.12798 1800051.0
2148 164.10716 139534.0 2148 164.10716 139534.0
2149 192.13879 614235.0 2149 192.13879 614235.0
2150 220.13348 136200.0 2150 220.13348 136200.0
2151 2151
2152 NAME: Myclobutanil
2152 FORMULA: C15H17N4Cl 2153 FORMULA: C15H17N4Cl
2153 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N 2154 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N
2154 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N 2155 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
2155 NAME: Myclobutanil
2156 RETENTIONTIME: 6.259462 2156 RETENTIONTIME: 6.259462
2157 PRECURSORMZ: 289.1221 2157 PRECURSORMZ: 289.1221
2158 PRECURSORTYPE: [M+H]+ 2158 PRECURSORTYPE: [M+H]+
2159 INSTRUMENTTYPE: LC-ESI-Orbitrap 2159 INSTRUMENTTYPE: LC-ESI-Orbitrap
2160 NUM PEAKS: 18 2160 NUM PEAKS: 18
2175 166.04185 38601.0 2175 166.04185 38601.0
2176 168.09337 31175.0 2176 168.09337 31175.0
2177 175.03131 41390.0 2177 175.03131 41390.0
2178 178.04208 93247.0 2178 178.04208 93247.0
2179 2179
2180 NAME: Oxadixyl
2180 FORMULA: C14H18N2O4 2181 FORMULA: C14H18N2O4
2181 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N 2182 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
2182 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O 2183 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
2183 NAME: Oxadixyl
2184 RETENTIONTIME: 4.402048 2184 RETENTIONTIME: 4.402048
2185 PRECURSORMZ: 279.1344 2185 PRECURSORMZ: 279.1344
2186 PRECURSORTYPE: [M+H]+ 2186 PRECURSORTYPE: [M+H]+
2187 INSTRUMENTTYPE: LC-ESI-Orbitrap 2187 INSTRUMENTTYPE: LC-ESI-Orbitrap
2188 NUM PEAKS: 7 2188 NUM PEAKS: 7
2192 160.07613 49235.0 2192 160.07613 49235.0
2193 192.10234 94587.0 2193 192.10234 94587.0
2194 219.11325 4470994.0 2194 219.11325 4470994.0
2195 279.13367 216370.0 2195 279.13367 216370.0
2196 2196
2197 NAME: Prochloraz
2197 FORMULA: C15H16N3O2Cl3 2198 FORMULA: C15H16N3O2Cl3
2198 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N 2199 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N
2199 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl 2200 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl
2200 NAME: Prochloraz
2201 RETENTIONTIME: 7.089308 2201 RETENTIONTIME: 7.089308
2202 PRECURSORMZ: 376.0388 2202 PRECURSORMZ: 376.0388
2203 PRECURSORTYPE: [M+H]+ 2203 PRECURSORTYPE: [M+H]+
2204 INSTRUMENTTYPE: LC-ESI-Orbitrap 2204 INSTRUMENTTYPE: LC-ESI-Orbitrap
2205 NUM PEAKS: 3 2205 NUM PEAKS: 3
2206 265.95453 2776909.0 2206 265.95453 2776909.0
2207 308.00125 53942956.0 2207 308.00125 53942956.0
2208 376.03964 3704219.0 2208 376.03964 3704219.0
2209 2209
2210 NAME: Prometon_1
2210 FORMULA: C10H19N5O 2211 FORMULA: C10H19N5O
2211 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N 2212 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
2212 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 2213 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
2213 NAME: Prometon_1
2214 RETENTIONTIME: 3.185351 2214 RETENTIONTIME: 3.185351
2215 PRECURSORMZ: 226.1667 2215 PRECURSORMZ: 226.1667
2216 PRECURSORTYPE: [M+H]+ 2216 PRECURSORTYPE: [M+H]+
2217 INSTRUMENTTYPE: LC-ESI-Orbitrap 2217 INSTRUMENTTYPE: LC-ESI-Orbitrap
2218 NUM PEAKS: 16 2218 NUM PEAKS: 16
2231 142.07253 19868644.0 2231 142.07253 19868644.0
2232 168.0881 278497.0 2232 168.0881 278497.0
2233 170.10394 12296676.0 2233 170.10394 12296676.0
2234 184.11964 1858746.0 2234 184.11964 1858746.0
2235 2235
2236 NAME: Prometon_2
2236 FORMULA: C10H19N5O 2237 FORMULA: C10H19N5O
2237 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N 2238 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
2238 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 2239 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
2239 NAME: Prometon_2
2240 RETENTIONTIME: 3.288845 2240 RETENTIONTIME: 3.288845
2241 PRECURSORMZ: 226.1663 2241 PRECURSORMZ: 226.1663
2242 PRECURSORTYPE: [M+H]+ 2242 PRECURSORTYPE: [M+H]+
2243 INSTRUMENTTYPE: LC-ESI-Orbitrap 2243 INSTRUMENTTYPE: LC-ESI-Orbitrap
2244 NUM PEAKS: 22 2244 NUM PEAKS: 22
2263 168.0881 343548.0 2263 168.0881 343548.0
2264 170.10394 12923365.0 2264 170.10394 12923365.0
2265 184.11964 137608.0 2265 184.11964 137608.0
2266 226.16615 243943.0 2266 226.16615 243943.0
2267 2267
2268 NAME: Pymetrozine
2268 FORMULA: C10H11N5O 2269 FORMULA: C10H11N5O
2269 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N 2270 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N
2270 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O 2271 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O
2271 NAME: Pymetrozine
2272 RETENTIONTIME: 1.373368 2272 RETENTIONTIME: 1.373368
2273 PRECURSORMZ: 218.1044 2273 PRECURSORMZ: 218.1044
2274 PRECURSORTYPE: [M+H]+ 2274 PRECURSORTYPE: [M+H]+
2275 INSTRUMENTTYPE: LC-ESI-Orbitrap 2275 INSTRUMENTTYPE: LC-ESI-Orbitrap
2276 NUM PEAKS: 2 2276 NUM PEAKS: 2
2277 96.04461 383408.0 2277 96.04461 383408.0
2278 105.04506 15166273.0 2278 105.04506 15166273.0
2279 2279
2280 NAME: Pyracarbolid
2280 FORMULA: C13H15NO2 2281 FORMULA: C13H15NO2
2281 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N 2282 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
2282 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1 2283 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1
2283 NAME: Pyracarbolid
2284 RETENTIONTIME: 4.72542 2284 RETENTIONTIME: 4.72542
2285 PRECURSORMZ: 218.1182 2285 PRECURSORMZ: 218.1182
2286 PRECURSORTYPE: [M+H]+ 2286 PRECURSORTYPE: [M+H]+
2287 INSTRUMENTTYPE: LC-ESI-Orbitrap 2287 INSTRUMENTTYPE: LC-ESI-Orbitrap
2288 NUM PEAKS: 8 2288 NUM PEAKS: 8
2293 105.04477 279492.0 2293 105.04477 279492.0
2294 107.04936 2653095.0 2294 107.04936 2653095.0
2295 115.03907 949155.0 2295 115.03907 949155.0
2296 125.05998 14590636.0 2296 125.05998 14590636.0
2297 2297
2298 NAME: Pyrimethanil
2298 FORMULA: C12H13N3 2299 FORMULA: C12H13N3
2299 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N 2300 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
2300 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1 2301 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1
2301 NAME: Pyrimethanil
2302 RETENTIONTIME: 5.598423 2302 RETENTIONTIME: 5.598423
2303 PRECURSORMZ: 200.1186 2303 PRECURSORMZ: 200.1186
2304 PRECURSORTYPE: [M+H]+ 2304 PRECURSORTYPE: [M+H]+
2305 INSTRUMENTTYPE: LC-ESI-Orbitrap 2305 INSTRUMENTTYPE: LC-ESI-Orbitrap
2306 NUM PEAKS: 43 2306 NUM PEAKS: 43
2346 185.09505 609372.0 2346 185.09505 609372.0
2347 198.10313 499158.0 2347 198.10313 499158.0
2348 199.11044 154902.0 2348 199.11044 154902.0
2349 200.11862 13352280.0 2349 200.11862 13352280.0
2350 2350
2351 NAME: Pyriproxyfen
2351 FORMULA: C20H19NO3 2352 FORMULA: C20H19NO3
2352 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N 2353 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N
2353 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1 2354 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1
2354 NAME: Pyriproxyfen
2355 RETENTIONTIME: 7.483148 2355 RETENTIONTIME: 7.483148
2356 PRECURSORMZ: 322.1441 2356 PRECURSORMZ: 322.1441
2357 PRECURSORTYPE: [M+H]+ 2357 PRECURSORTYPE: [M+H]+
2358 INSTRUMENTTYPE: LC-ESI-Orbitrap 2358 INSTRUMENTTYPE: LC-ESI-Orbitrap
2359 NUM PEAKS: 21 2359 NUM PEAKS: 21
2377 185.05991 13867037.0 2377 185.05991 13867037.0
2378 186.06801 602621.0 2378 186.06801 602621.0
2379 194.07315 653455.0 2379 194.07315 653455.0
2380 199.07576 804230.0 2380 199.07576 804230.0
2381 2381
2382 NAME: Mepronil
2382 FORMULA: C17H19NO2 2383 FORMULA: C17H19NO2
2383 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N 2384 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
2384 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C 2385 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C
2385 NAME: Mepronil
2386 RETENTIONTIME: 6.63015 2386 RETENTIONTIME: 6.63015
2387 PRECURSORMZ: 270.1492 2387 PRECURSORMZ: 270.1492
2388 PRECURSORTYPE: [M+H]+ 2388 PRECURSORTYPE: [M+H]+
2389 INSTRUMENTTYPE: LC-ESI-Orbitrap 2389 INSTRUMENTTYPE: LC-ESI-Orbitrap
2390 NUM PEAKS: 8 2390 NUM PEAKS: 8
2395 111.04436 177960.0 2395 111.04436 177960.0
2396 119.04979 16405699.0 2396 119.04979 16405699.0
2397 119.0592 353581.0 2397 119.0592 353581.0
2398 136.03949 166339.0 2398 136.03949 166339.0
2399 2399
2400 NAME: Spiroxamine_2
2400 FORMULA: C18H35NO2 2401 FORMULA: C18H35NO2
2401 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N 2402 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
2402 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC 2403 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
2403 NAME: Spiroxamine_2
2404 RETENTIONTIME: 4.628222 2404 RETENTIONTIME: 4.628222
2405 PRECURSORMZ: 298.2747 2405 PRECURSORMZ: 298.2747
2406 PRECURSORTYPE: [M+H]+ 2406 PRECURSORTYPE: [M+H]+
2407 INSTRUMENTTYPE: LC-ESI-Orbitrap 2407 INSTRUMENTTYPE: LC-ESI-Orbitrap
2408 NUM PEAKS: 4 2408 NUM PEAKS: 4
2409 100.11219 10585697.0 2409 100.11219 10585697.0
2410 102.09142 415934.0 2410 102.09142 415934.0
2411 126.12786 286929.0 2411 126.12786 286929.0
2412 144.13857 10367585.0 2412 144.13857 10367585.0
2413 2413
2414 NAME: Tebufenpyrad
2414 FORMULA: C18H24N3OCl 2415 FORMULA: C18H24N3OCl
2415 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N 2416 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
2416 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C 2417 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C
2417 NAME: Tebufenpyrad
2418 RETENTIONTIME: 7.223254 2418 RETENTIONTIME: 7.223254
2419 PRECURSORMZ: 334.1692 2419 PRECURSORMZ: 334.1692
2420 PRECURSORTYPE: [M+H]+ 2420 PRECURSORTYPE: [M+H]+
2421 INSTRUMENTTYPE: LC-ESI-Orbitrap 2421 INSTRUMENTTYPE: LC-ESI-Orbitrap
2422 NUM PEAKS: 17 2422 NUM PEAKS: 17
2436 171.03239 1499108.0 2436 171.03239 1499108.0
2437 188.05853 456215.0 2437 188.05853 456215.0
2438 200.05861 396435.0 2438 200.05861 396435.0
2439 334.16821 933979.0 2439 334.16821 933979.0
2440 2440
2441 NAME: Terbumeton_1
2441 FORMULA: C10H19N5O 2442 FORMULA: C10H19N5O
2442 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N 2443 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
2443 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C 2444 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
2444 NAME: Terbumeton_1
2445 RETENTIONTIME: 3.185351 2445 RETENTIONTIME: 3.185351
2446 PRECURSORMZ: 226.1667 2446 PRECURSORMZ: 226.1667
2447 PRECURSORTYPE: [M+H]+ 2447 PRECURSORTYPE: [M+H]+
2448 INSTRUMENTTYPE: LC-ESI-Orbitrap 2448 INSTRUMENTTYPE: LC-ESI-Orbitrap
2449 NUM PEAKS: 16 2449 NUM PEAKS: 16
2462 142.07253 19868644.0 2462 142.07253 19868644.0
2463 168.0881 278497.0 2463 168.0881 278497.0
2464 170.10394 12296676.0 2464 170.10394 12296676.0
2465 184.11964 1858746.0 2465 184.11964 1858746.0
2466 2466
2467 NAME: Terbumeton_2
2467 FORMULA: C10H19N5O 2468 FORMULA: C10H19N5O
2468 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N 2469 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
2469 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C 2470 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
2470 NAME: Terbumeton_2
2471 RETENTIONTIME: 3.288845 2471 RETENTIONTIME: 3.288845
2472 PRECURSORMZ: 226.1663 2472 PRECURSORMZ: 226.1663
2473 PRECURSORTYPE: [M+H]+ 2473 PRECURSORTYPE: [M+H]+
2474 INSTRUMENTTYPE: LC-ESI-Orbitrap 2474 INSTRUMENTTYPE: LC-ESI-Orbitrap
2475 NUM PEAKS: 22 2475 NUM PEAKS: 22
2494 168.0881 343548.0 2494 168.0881 343548.0
2495 170.10394 12923365.0 2495 170.10394 12923365.0
2496 184.11964 137608.0 2496 184.11964 137608.0
2497 226.16615 243943.0 2497 226.16615 243943.0
2498 2498
2499 NAME: Triadimefon
2499 FORMULA: C14H16N3O2Cl 2500 FORMULA: C14H16N3O2Cl
2500 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N 2501 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N
2501 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl 2502 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
2502 NAME: Triadimefon
2503 RETENTIONTIME: 6.495691 2503 RETENTIONTIME: 6.495691
2504 PRECURSORMZ: 294.101 2504 PRECURSORMZ: 294.101
2505 PRECURSORTYPE: [M+H]+ 2505 PRECURSORTYPE: [M+H]+
2506 INSTRUMENTTYPE: LC-ESI-Orbitrap 2506 INSTRUMENTTYPE: LC-ESI-Orbitrap
2507 NUM PEAKS: 34 2507 NUM PEAKS: 34
2538 173.50877 58953.0 2538 173.50877 58953.0
2539 175.07544 124355.0 2539 175.07544 124355.0
2540 190.09877 46793.0 2540 190.09877 46793.0
2541 197.073 124633.0 2541 197.073 124633.0
2542 2542
2543 NAME: Trifloxystrobin
2543 FORMULA: C20H19N2O4F3 2544 FORMULA: C20H19N2O4F3
2544 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N 2545 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
2545 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC 2546 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC
2546 NAME: Trifloxystrobin
2547 RETENTIONTIME: 7.117416 2547 RETENTIONTIME: 7.117416
2548 PRECURSORMZ: 409.1378 2548 PRECURSORMZ: 409.1378
2549 PRECURSORTYPE: [M+H]+ 2549 PRECURSORTYPE: [M+H]+
2550 INSTRUMENTTYPE: LC-ESI-Orbitrap 2550 INSTRUMENTTYPE: LC-ESI-Orbitrap
2551 NUM PEAKS: 20 2551 NUM PEAKS: 20
2568 163.03706 449951.0 2568 163.03706 449951.0
2569 173.03255 3885334.0 2569 173.03255 3885334.0
2570 186.05302 16153518.0 2570 186.05302 16153518.0
2571 206.08214 362046.0 2571 206.08214 362046.0
2572 2572
2573 NAME: Zoxamide
2573 FORMULA: C14H16Cl3NO2 2574 FORMULA: C14H16Cl3NO2
2574 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N 2575 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N
2575 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C 2576 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C
2576 NAME: Zoxamide
2577 RETENTIONTIME: 7.042906 2577 RETENTIONTIME: 7.042906
2578 PRECURSORMZ: 336.0327 2578 PRECURSORMZ: 336.0327
2579 PRECURSORTYPE: [M+H]+ 2579 PRECURSORTYPE: [M+H]+
2580 INSTRUMENTTYPE: LC-ESI-Orbitrap 2580 INSTRUMENTTYPE: LC-ESI-Orbitrap
2581 NUM PEAKS: 7 2581 NUM PEAKS: 7
2585 176.98717 132424.0 2585 176.98717 132424.0
2586 186.97179 7551578.0 2586 186.97179 7551578.0
2587 186.98138 1310863.0 2587 186.98138 1310863.0
2588 203.99802 105210.0 2588 203.99802 105210.0
2589 2589
2590 NAME: Quinoxyfen
2590 FORMULA: C15H8NOCl2F 2591 FORMULA: C15H8NOCl2F
2591 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N 2592 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
2592 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl 2593 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl
2593 NAME: Quinoxyfen
2594 RETENTIONTIME: 7.693292 2594 RETENTIONTIME: 7.693292
2595 PRECURSORMZ: 308.0046 2595 PRECURSORMZ: 308.0046
2596 PRECURSORTYPE: [M+H]+ 2596 PRECURSORTYPE: [M+H]+
2597 INSTRUMENTTYPE: LC-ESI-Orbitrap 2597 INSTRUMENTTYPE: LC-ESI-Orbitrap
2598 NUM PEAKS: 28 2598 NUM PEAKS: 28
2623 272.02798 14312807.0 2623 272.02798 14312807.0
2624 280.00934 1380984.0 2624 280.00934 1380984.0
2625 287.99789 1053238.0 2625 287.99789 1053238.0
2626 308.00415 16622164.0 2626 308.00415 16622164.0
2627 2627
2628 NAME: Rotenone
2628 FORMULA: C23H22O6 2629 FORMULA: C23H22O6
2629 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N 2630 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N
2630 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C 2631 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C
2631 NAME: Rotenone
2632 RETENTIONTIME: 7.674882 2632 RETENTIONTIME: 7.674882
2633 PRECURSORMZ: 395.1498 2633 PRECURSORMZ: 395.1498
2634 PRECURSORTYPE: [M+H]+ 2634 PRECURSORTYPE: [M+H]+
2635 INSTRUMENTTYPE: LC-ESI-Orbitrap 2635 INSTRUMENTTYPE: LC-ESI-Orbitrap
2636 NUM PEAKS: 118 2636 NUM PEAKS: 118
2751 337.1073 11225.0 2751 337.1073 11225.0
2752 347.091 7782.0 2752 347.091 7782.0
2753 349.10764 9303.0 2753 349.10764 9303.0
2754 377.13797 5836.0 2754 377.13797 5836.0
2755 2755
2756 NAME: Secbumeton_1
2756 FORMULA: C10H19N5O 2757 FORMULA: C10H19N5O
2757 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N 2758 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
2758 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 2759 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
2759 NAME: Secbumeton_1
2760 RETENTIONTIME: 3.185351 2760 RETENTIONTIME: 3.185351
2761 PRECURSORMZ: 226.1667 2761 PRECURSORMZ: 226.1667
2762 PRECURSORTYPE: [M+H]+ 2762 PRECURSORTYPE: [M+H]+
2763 INSTRUMENTTYPE: LC-ESI-Orbitrap 2763 INSTRUMENTTYPE: LC-ESI-Orbitrap
2764 NUM PEAKS: 16 2764 NUM PEAKS: 16
2777 142.07253 19868644.0 2777 142.07253 19868644.0
2778 168.0881 278497.0 2778 168.0881 278497.0
2779 170.10394 12296676.0 2779 170.10394 12296676.0
2780 184.11964 1858746.0 2780 184.11964 1858746.0
2781 2781
2782 NAME: Secbumeton_2
2782 FORMULA: C10H19N5O 2783 FORMULA: C10H19N5O
2783 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N 2784 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
2784 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 2785 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
2785 NAME: Secbumeton_2
2786 RETENTIONTIME: 3.288845 2786 RETENTIONTIME: 3.288845
2787 PRECURSORMZ: 226.1663 2787 PRECURSORMZ: 226.1663
2788 PRECURSORTYPE: [M+H]+ 2788 PRECURSORTYPE: [M+H]+
2789 INSTRUMENTTYPE: LC-ESI-Orbitrap 2789 INSTRUMENTTYPE: LC-ESI-Orbitrap
2790 NUM PEAKS: 22 2790 NUM PEAKS: 22
2809 168.0881 343548.0 2809 168.0881 343548.0
2810 170.10394 12923365.0 2810 170.10394 12923365.0
2811 184.11964 137608.0 2811 184.11964 137608.0
2812 226.16615 243943.0 2812 226.16615 243943.0
2813 2813
2814 NAME: Spiroxamine_1
2814 FORMULA: C18H35NO2 2815 FORMULA: C18H35NO2
2815 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N 2816 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
2816 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC 2817 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
2817 NAME: Spiroxamine_1
2818 RETENTIONTIME: 4.508498 2818 RETENTIONTIME: 4.508498
2819 PRECURSORMZ: 298.2746 2819 PRECURSORMZ: 298.2746
2820 PRECURSORTYPE: [M+H]+ 2820 PRECURSORTYPE: [M+H]+
2821 INSTRUMENTTYPE: LC-ESI-Orbitrap 2821 INSTRUMENTTYPE: LC-ESI-Orbitrap
2822 NUM PEAKS: 4 2822 NUM PEAKS: 4
2823 100.11219 3396827.0 2823 100.11219 3396827.0
2824 102.09142 137060.0 2824 102.09142 137060.0
2825 126.12786 85740.0 2825 126.12786 85740.0
2826 144.13857 3215019.0 2826 144.13857 3215019.0
2827 2827
2828 NAME: Acibenzolar-S-methyl
2828 FORMULA: C8H6N2OS2 2829 FORMULA: C8H6N2OS2
2829 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N 2830 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
2830 SMILES: CSC(=O)c1cccc2c1snn2 2831 SMILES: CSC(=O)c1cccc2c1snn2
2831 NAME: Acibenzolar-S-methyl
2832 RETENTIONTIME: 7.209623 2832 RETENTIONTIME: 7.209623
2833 PRECURSORMZ: 210.9997 2833 PRECURSORMZ: 210.9997
2834 PRECURSORTYPE: [M+H]+ 2834 PRECURSORTYPE: [M+H]+
2835 INSTRUMENTTYPE: LC-ESI-Orbitrap 2835 INSTRUMENTTYPE: LC-ESI-Orbitrap
2836 NUM PEAKS: 19 2836 NUM PEAKS: 19
2852 139.97499 2000969.0 2852 139.97499 2000969.0
2853 152.98305 216362.0 2853 152.98305 216362.0
2854 167.97003 464522.0 2854 167.97003 464522.0
2855 210.99977 327401.0 2855 210.99977 327401.0
2856 2856
2857 NAME: Bupirimate
2857 FORMULA: C13H24N4O3S 2858 FORMULA: C13H24N4O3S
2858 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N 2859 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
2859 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C 2860 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C
2860 NAME: Bupirimate
2861 RETENTIONTIME: 6.076324 2861 RETENTIONTIME: 6.076324
2862 PRECURSORMZ: 317.1649 2862 PRECURSORMZ: 317.1649
2863 PRECURSORTYPE: [M+H]+ 2863 PRECURSORTYPE: [M+H]+
2864 INSTRUMENTTYPE: LC-ESI-Orbitrap 2864 INSTRUMENTTYPE: LC-ESI-Orbitrap
2865 NUM PEAKS: 55 2865 NUM PEAKS: 55
2917 224.17574 413548.0 2917 224.17574 413548.0
2918 237.20732 1204267.0 2918 237.20732 1204267.0
2919 262.08615 349666.0 2919 262.08615 349666.0
2920 272.10626 143082.0 2920 272.10626 143082.0
2921 2921
2922 NAME: Buprofezin
2922 FORMULA: C16H23N3OS 2923 FORMULA: C16H23N3OS
2923 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N 2924 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
2924 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C 2925 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C
2925 NAME: Buprofezin
2926 RETENTIONTIME: 7.028851 2926 RETENTIONTIME: 7.028851
2927 PRECURSORMZ: 306.1638 2927 PRECURSORMZ: 306.1638
2928 PRECURSORTYPE: [M+H]+ 2928 PRECURSORTYPE: [M+H]+
2929 INSTRUMENTTYPE: LC-ESI-Orbitrap 2929 INSTRUMENTTYPE: LC-ESI-Orbitrap
2930 NUM PEAKS: 7 2930 NUM PEAKS: 7
2934 102.99629 1020337.0 2934 102.99629 1020337.0
2935 106.06516 49438552.0 2935 106.06516 49438552.0
2936 145.04333 786651.0 2936 145.04333 786651.0
2937 208.05412 1036458.0 2937 208.05412 1036458.0
2938 2938
2939 NAME: Carboxin
2939 FORMULA: C12H13NO2S 2940 FORMULA: C12H13NO2S
2940 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N 2941 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
2941 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1 2942 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1
2942 NAME: Carboxin
2943 RETENTIONTIME: 5.514598 2943 RETENTIONTIME: 5.514598
2944 PRECURSORMZ: 236.0745 2944 PRECURSORMZ: 236.0745
2945 PRECURSORTYPE: [M+H]+ 2945 PRECURSORTYPE: [M+H]+
2946 INSTRUMENTTYPE: LC-ESI-Orbitrap 2946 INSTRUMENTTYPE: LC-ESI-Orbitrap
2947 NUM PEAKS: 21 2947 NUM PEAKS: 21
2965 148.02174 69210.0 2965 148.02174 69210.0
2966 162.03714 126130.0 2966 162.03714 126130.0
2967 165.02444 140508.0 2967 165.02444 140508.0
2968 166.03207 97516.0 2968 166.03207 97516.0
2969 2969
2970 NAME: Clethodim_1
2970 FORMULA: C17H26NO3ClS 2971 FORMULA: C17H26NO3ClS
2971 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N 2972 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
2972 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C 2973 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
2973 NAME: Clethodim_1
2974 RETENTIONTIME: 6.687163 2974 RETENTIONTIME: 6.687163
2975 PRECURSORMZ: 360.1401 2975 PRECURSORMZ: 360.1401
2976 PRECURSORTYPE: [M+H]+ 2976 PRECURSORTYPE: [M+H]+
2977 INSTRUMENTTYPE: LC-ESI-Orbitrap 2977 INSTRUMENTTYPE: LC-ESI-Orbitrap
2978 NUM PEAKS: 93 2978 NUM PEAKS: 93
3068 192.10233 16067.0 3068 192.10233 16067.0
3069 206.11787 6696.0 3069 206.11787 6696.0
3070 212.11047 16431.0 3070 212.11047 16431.0
3071 240.10542 8682.0 3071 240.10542 8682.0
3072 3072
3073 NAME: Clethodim_2
3073 FORMULA: C17H26NO3ClS 3074 FORMULA: C17H26NO3ClS
3074 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N 3075 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
3075 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C 3076 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
3076 NAME: Clethodim_2
3077 RETENTIONTIME: 7.277172 3077 RETENTIONTIME: 7.277172
3078 PRECURSORMZ: 360.1401 3078 PRECURSORMZ: 360.1401
3079 PRECURSORTYPE: [M+H]+ 3079 PRECURSORTYPE: [M+H]+
3080 INSTRUMENTTYPE: LC-ESI-Orbitrap 3080 INSTRUMENTTYPE: LC-ESI-Orbitrap
3081 NUM PEAKS: 68 3081 NUM PEAKS: 68
3146 206.11787 45529.0 3146 206.11787 45529.0
3147 208.13387 37258.0 3147 208.13387 37258.0
3148 212.11047 103531.0 3148 212.11047 103531.0
3149 240.10542 87328.0 3149 240.10542 87328.0
3150 3150
3151 NAME: Clothianidin
3151 FORMULA: C6H8N5O2ClS 3152 FORMULA: C6H8N5O2ClS
3152 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N 3153 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N
3153 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl 3154 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl
3154 NAME: Clothianidin
3155 RETENTIONTIME: 2.767634 3155 RETENTIONTIME: 2.767634
3156 PRECURSORMZ: 250.0162 3156 PRECURSORMZ: 250.0162
3157 PRECURSORTYPE: [M+H]+ 3157 PRECURSORTYPE: [M+H]+
3158 INSTRUMENTTYPE: LC-ESI-Orbitrap 3158 INSTRUMENTTYPE: LC-ESI-Orbitrap
3159 NUM PEAKS: 12 3159 NUM PEAKS: 12
3168 204.02304 121736.0 3168 204.02304 121736.0
3169 206.01546 199604.0 3169 206.01546 199604.0
3170 220.01871 34828.0 3170 220.01871 34828.0
3171 250.01668 782407.0 3171 250.01668 782407.0
3172 3172
3173 NAME: Cyazofamid
3173 FORMULA: C13H13N4O2ClS 3174 FORMULA: C13H13N4O2ClS
3174 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N 3175 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
3175 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl 3176 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
3176 NAME: Cyazofamid
3177 RETENTIONTIME: 6.824718 3177 RETENTIONTIME: 6.824718
3178 PRECURSORMZ: 325.0526 3178 PRECURSORMZ: 325.0526
3179 PRECURSORTYPE: [M+H]+ 3179 PRECURSORTYPE: [M+H]+
3180 INSTRUMENTTYPE: LC-ESI-Orbitrap 3180 INSTRUMENTTYPE: LC-ESI-Orbitrap
3181 NUM PEAKS: 14 3181 NUM PEAKS: 14
3192 279.10236 522333.0 3192 279.10236 522333.0
3193 325.052 1817226.0 3193 325.052 1817226.0
3194 325.14325 121241.0 3194 325.14325 121241.0
3195 325.23611 85648.0 3195 325.23611 85648.0
3196 3196
3197 NAME: Ethiprole
3197 FORMULA: C13H9N4OCl2F3S 3198 FORMULA: C13H9N4OCl2F3S
3198 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N 3199 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
3199 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F 3200 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
3200 NAME: Ethiprole
3201 RETENTIONTIME: 5.828761 3201 RETENTIONTIME: 5.828761
3202 PRECURSORMZ: 396.991 3202 PRECURSORMZ: 396.991
3203 PRECURSORTYPE: [M+H]+ 3203 PRECURSORTYPE: [M+H]+
3204 INSTRUMENTTYPE: LC-ESI-Orbitrap 3204 INSTRUMENTTYPE: LC-ESI-Orbitrap
3205 NUM PEAKS: 11 3205 NUM PEAKS: 11
3213 288.96835 478467.0 3213 288.96835 478467.0
3214 315.97946 548987.0 3214 315.97946 548987.0
3215 323.93817 233169.0 3215 323.93817 233169.0
3216 350.94952 1933706.0 3216 350.94952 1933706.0
3217 3217
3218 NAME: Ethofumesate
3218 FORMULA: C13H18O5S 3219 FORMULA: C13H18O5S
3219 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N 3220 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N
3220 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C 3221 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C
3221 NAME: Ethofumesate
3222 RETENTIONTIME: 6.01901 3222 RETENTIONTIME: 6.01901
3223 PRECURSORMZ: 287.0957 3223 PRECURSORMZ: 287.0957
3224 PRECURSORTYPE: [M+H]+ 3224 PRECURSORTYPE: [M+H]+
3225 INSTRUMENTTYPE: LC-ESI-Orbitrap 3225 INSTRUMENTTYPE: LC-ESI-Orbitrap
3226 NUM PEAKS: 10 3226 NUM PEAKS: 10
3233 241.05281 803837.0 3233 241.05281 803837.0
3234 259.06424 3450423.0 3234 259.06424 3450423.0
3235 277.07498 105295.0 3235 277.07498 105295.0
3236 287.09497 1000737.0 3236 287.09497 1000737.0
3237 3237
3238 NAME: Fenamidone
3238 FORMULA: C17H17N3OS 3239 FORMULA: C17H17N3OS
3239 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N 3240 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
3240 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1 3241 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1
3241 NAME: Fenamidone
3242 RETENTIONTIME: 6.626915 3242 RETENTIONTIME: 6.626915
3243 PRECURSORMZ: 312.1172 3243 PRECURSORMZ: 312.1172
3244 PRECURSORTYPE: [M+H]+ 3244 PRECURSORTYPE: [M+H]+
3245 INSTRUMENTTYPE: LC-ESI-Orbitrap 3245 INSTRUMENTTYPE: LC-ESI-Orbitrap
3246 NUM PEAKS: 23 3246 NUM PEAKS: 23
3266 219.09235 850480.0 3266 219.09235 850480.0
3267 221.0947 1138537.0 3267 221.0947 1138537.0
3268 236.11884 5452674.0 3268 236.11884 5452674.0
3269 237.04855 688489.0 3269 237.04855 688489.0
3270 3270
3271 NAME: Fipronil
3271 FORMULA: C12H4N4OCl2F6S 3272 FORMULA: C12H4N4OCl2F6S
3272 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N 3273 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
3273 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F 3274 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
3274 NAME: Fipronil
3275 RETENTIONTIME: 6.367518 3275 RETENTIONTIME: 6.367518
3276 PRECURSORMZ: 436.9474 3276 PRECURSORMZ: 436.9474
3277 PRECURSORTYPE: [M+H]+ 3277 PRECURSORTYPE: [M+H]+
3278 INSTRUMENTTYPE: LC-ESI-Orbitrap 3278 INSTRUMENTTYPE: LC-ESI-Orbitrap
3279 NUM PEAKS: 44 3279 NUM PEAKS: 44
3320 332.98279 23894.0 3320 332.98279 23894.0
3321 341.94772 7327.0 3321 341.94772 7327.0
3322 350.94775 6206.0 3322 350.94775 6206.0
3323 367.95102 6446.0 3323 367.95102 6446.0
3324 3324
3325 NAME: Flufenacet
3325 FORMULA: C14H13N3O2F4S 3326 FORMULA: C14H13N3O2F4S
3326 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N 3327 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
3327 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C 3328 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C
3328 NAME: Flufenacet
3329 RETENTIONTIME: 6.476889 3329 RETENTIONTIME: 6.476889
3330 PRECURSORMZ: 364.0744 3330 PRECURSORMZ: 364.0744
3331 PRECURSORTYPE: [M+H]+ 3331 PRECURSORTYPE: [M+H]+
3332 INSTRUMENTTYPE: LC-ESI-Orbitrap 3332 INSTRUMENTTYPE: LC-ESI-Orbitrap
3333 NUM PEAKS: 5 3333 NUM PEAKS: 5
3335 152.0509 5487354.0 3335 152.0509 5487354.0
3336 152.08713 528888.0 3336 152.08713 528888.0
3337 194.09782 19271964.0 3337 194.09782 19271964.0
3338 364.07422 2107439.0 3338 364.07422 2107439.0
3339 3339
3340 NAME: Hexythiazox
3340 FORMULA: C17H21N2O2ClS 3341 FORMULA: C17H21N2O2ClS
3341 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N 3342 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N
3342 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O 3343 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O
3343 NAME: Hexythiazox
3344 RETENTIONTIME: 7.46046 3344 RETENTIONTIME: 7.46046
3345 PRECURSORMZ: 353.1096 3345 PRECURSORMZ: 353.1096
3346 PRECURSORTYPE: [M+H]+ 3346 PRECURSORTYPE: [M+H]+
3347 INSTRUMENTTYPE: LC-ESI-Orbitrap 3347 INSTRUMENTTYPE: LC-ESI-Orbitrap
3348 NUM PEAKS: 18 3348 NUM PEAKS: 18
3363 176.02615 779438.0 3363 176.02615 779438.0
3364 194.03688 1165217.0 3364 194.03688 1165217.0
3365 210.01369 101590.0 3365 210.01369 101590.0
3366 228.02509 203533.0 3366 228.02509 203533.0
3367 3367
3368 NAME: Mefenacet
3368 FORMULA: C16H14N2O2S 3369 FORMULA: C16H14N2O2S
3369 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N 3370 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
3370 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2 3371 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2
3371 NAME: Mefenacet
3372 RETENTIONTIME: 7.143147 3372 RETENTIONTIME: 7.143147
3373 PRECURSORMZ: 299.0857 3373 PRECURSORMZ: 299.0857
3374 PRECURSORTYPE: [M+H]+ 3374 PRECURSORTYPE: [M+H]+
3375 INSTRUMENTTYPE: LC-ESI-Orbitrap 3375 INSTRUMENTTYPE: LC-ESI-Orbitrap
3376 NUM PEAKS: 10 3376 NUM PEAKS: 10
3383 120.081 20302168.0 3383 120.081 20302168.0
3384 136.02161 2145909.0 3384 136.02161 2145909.0
3385 148.0759 2833957.0 3385 148.0759 2833957.0
3386 152.01669 272045.0 3386 152.01669 272045.0
3387 3387
3388 NAME: Mesotrione
3388 FORMULA: C14H13NO7S 3389 FORMULA: C14H13NO7S
3389 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N 3390 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N
3390 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C 3391 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C
3391 NAME: Mesotrione
3392 RETENTIONTIME: 4.438974 3392 RETENTIONTIME: 4.438974
3393 PRECURSORMZ: 340.0492 3393 PRECURSORMZ: 340.0492
3394 PRECURSORTYPE: [M+H]+ 3394 PRECURSORTYPE: [M+H]+
3395 INSTRUMENTTYPE: LC-ESI-Orbitrap 3395 INSTRUMENTTYPE: LC-ESI-Orbitrap
3396 NUM PEAKS: 21 3396 NUM PEAKS: 21
3414 260.02258 25724.0 3414 260.02258 25724.0
3415 275.03772 37760.0 3415 275.03772 37760.0
3416 293.04776 19676.0 3416 293.04776 19676.0
3417 294.05606 18376.0 3417 294.05606 18376.0
3418 3418
3419 NAME: Methoprotryne
3419 FORMULA: C11H21N5OS 3420 FORMULA: C11H21N5OS
3420 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N 3421 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
3421 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 3422 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
3422 NAME: Methoprotryne
3423 RETENTIONTIME: 4.953537 3423 RETENTIONTIME: 4.953537
3424 PRECURSORMZ: 272.1545 3424 PRECURSORMZ: 272.1545
3425 PRECURSORTYPE: [M+H]+ 3425 PRECURSORTYPE: [M+H]+
3426 INSTRUMENTTYPE: LC-ESI-Orbitrap 3426 INSTRUMENTTYPE: LC-ESI-Orbitrap
3427 NUM PEAKS: 15 3427 NUM PEAKS: 15
3439 198.08067 12326767.0 3439 198.08067 12326767.0
3440 212.09639 2176296.0 3440 212.09639 2176296.0
3441 230.10741 452827.0 3441 230.10741 452827.0
3442 240.1284 1276547.0 3442 240.1284 1276547.0
3443 3443
3444 NAME: Metribuzin
3444 FORMULA: C8H14N4OS 3445 FORMULA: C8H14N4OS
3445 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N 3446 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N
3446 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C 3447 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C
3447 NAME: Metribuzin
3448 RETENTIONTIME: 4.458099 3448 RETENTIONTIME: 4.458099
3449 PRECURSORMZ: 215.0965 3449 PRECURSORMZ: 215.0965
3450 PRECURSORTYPE: [M+H]+ 3450 PRECURSORTYPE: [M+H]+
3451 INSTRUMENTTYPE: LC-ESI-Orbitrap 3451 INSTRUMENTTYPE: LC-ESI-Orbitrap
3452 NUM PEAKS: 62 3452 NUM PEAKS: 62
3511 184.05394 333698.0 3511 184.05394 333698.0
3512 186.08231 47791.0 3512 186.08231 47791.0
3513 187.10153 1851092.0 3513 187.10153 1851092.0
3514 215.09644 112225.0 3514 215.09644 112225.0
3515 3515
3516 NAME: Prometryne
3516 FORMULA: C10H19N5S 3517 FORMULA: C10H19N5S
3517 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N 3518 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
3518 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 3519 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
3519 NAME: Prometryne
3520 RETENTIONTIME: 4.990861 3520 RETENTIONTIME: 4.990861
3521 PRECURSORMZ: 242.1439 3521 PRECURSORMZ: 242.1439
3522 PRECURSORTYPE: [M+H]+ 3522 PRECURSORTYPE: [M+H]+
3523 INSTRUMENTTYPE: LC-ESI-Orbitrap 3523 INSTRUMENTTYPE: LC-ESI-Orbitrap
3524 NUM PEAKS: 15 3524 NUM PEAKS: 15
3536 158.04967 34215304.0 3536 158.04967 34215304.0
3537 173.50693 425480.0 3537 173.50693 425480.0
3538 186.08095 16656961.0 3538 186.08095 16656961.0
3539 200.09659 2036050.0 3539 200.09659 2036050.0
3540 3540
3541 NAME: Pyridaben
3541 FORMULA: C19H25N2OClS 3542 FORMULA: C19H25N2OClS
3542 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N 3543 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
3543 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C 3544 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C
3544 NAME: Pyridaben
3545 RETENTIONTIME: 7.556859 3545 RETENTIONTIME: 7.556859
3546 PRECURSORMZ: 365.1459 3546 PRECURSORMZ: 365.1459
3547 PRECURSORTYPE: [M+H]+ 3547 PRECURSORTYPE: [M+H]+
3548 INSTRUMENTTYPE: LC-ESI-Orbitrap 3548 INSTRUMENTTYPE: LC-ESI-Orbitrap
3549 NUM PEAKS: 3 3549 NUM PEAKS: 3
3550 147.11726 1746679.0 3550 147.11726 1746679.0
3551 309.0834 39061400.0 3551 309.0834 39061400.0
3552 365.14478 6893662.0 3552 365.14478 6893662.0
3553 3553
3554 NAME: Simetryn
3554 FORMULA: C8H15N5S 3555 FORMULA: C8H15N5S
3555 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N 3556 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
3556 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1 3557 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1
3557 NAME: Simetryn
3558 RETENTIONTIME: 3.75983 3558 RETENTIONTIME: 3.75983
3559 PRECURSORMZ: 214.1124 3559 PRECURSORMZ: 214.1124
3560 PRECURSORTYPE: [M+H]+ 3560 PRECURSORTYPE: [M+H]+
3561 INSTRUMENTTYPE: LC-ESI-Orbitrap 3561 INSTRUMENTTYPE: LC-ESI-Orbitrap
3562 NUM PEAKS: 12 3562 NUM PEAKS: 12
3571 158.04967 123923.0 3571 158.04967 123923.0
3572 166.10905 576911.0 3572 166.10905 576911.0
3573 186.08095 411980.0 3573 186.08095 411980.0
3574 214.11266 506708.0 3574 214.11266 506708.0
3575 3575
3576 NAME: Sulfentrazone
3576 FORMULA: C11H10N4O3Cl2F2S 3577 FORMULA: C11H10N4O3Cl2F2S
3577 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N 3578 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
3578 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C 3579 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C
3579 NAME: Sulfentrazone
3580 RETENTIONTIME: 4.825635 3580 RETENTIONTIME: 4.825635
3581 PRECURSORMZ: 386.99 3581 PRECURSORMZ: 386.99
3582 PRECURSORTYPE: [M+H]+ 3582 PRECURSORTYPE: [M+H]+
3583 INSTRUMENTTYPE: LC-ESI-Orbitrap 3583 INSTRUMENTTYPE: LC-ESI-Orbitrap
3584 NUM PEAKS: 48 3584 NUM PEAKS: 48
3629 289.03033 15241.0 3629 289.03033 15241.0
3630 306.99692 72556.0 3630 306.99692 72556.0
3631 308.00412 68794.0 3631 308.00412 68794.0
3632 336.99271 19232.0 3632 336.99271 19232.0
3633 3633
3634 NAME: Terbutryn
3634 FORMULA: C10H19N5S 3635 FORMULA: C10H19N5S
3635 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N 3636 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
3636 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C 3637 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C
3637 NAME: Terbutryn
3638 RETENTIONTIME: 4.990861 3638 RETENTIONTIME: 4.990861
3639 PRECURSORMZ: 242.1439 3639 PRECURSORMZ: 242.1439
3640 PRECURSORTYPE: [M+H]+ 3640 PRECURSORTYPE: [M+H]+
3641 INSTRUMENTTYPE: LC-ESI-Orbitrap 3641 INSTRUMENTTYPE: LC-ESI-Orbitrap
3642 NUM PEAKS: 15 3642 NUM PEAKS: 15
3654 158.04967 34215304.0 3654 158.04967 34215304.0
3655 173.50693 425480.0 3655 173.50693 425480.0
3656 186.08095 16656961.0 3656 186.08095 16656961.0
3657 200.09659 2036050.0 3657 200.09659 2036050.0
3658 3658
3659 NAME: Thiabendazole
3659 FORMULA: C10H7N3S 3660 FORMULA: C10H7N3S
3660 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N 3661 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
3661 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2 3662 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2
3662 NAME: Thiabendazole
3663 RETENTIONTIME: 2.44406 3663 RETENTIONTIME: 2.44406
3664 PRECURSORMZ: 202.0437 3664 PRECURSORMZ: 202.0437
3665 PRECURSORTYPE: [M+H]+ 3665 PRECURSORTYPE: [M+H]+
3666 INSTRUMENTTYPE: LC-ESI-Orbitrap 3666 INSTRUMENTTYPE: LC-ESI-Orbitrap
3667 NUM PEAKS: 7 3667 NUM PEAKS: 7
3671 158.07153 301732.0 3671 158.07153 301732.0
3672 170.07179 139529.0 3672 170.07179 139529.0
3673 175.03255 9873992.0 3673 175.03255 9873992.0
3674 202.04396 3731232.0 3674 202.04396 3731232.0
3675 3675
3676 NAME: Thiacloprid
3676 FORMULA: C10H9N4ClS 3677 FORMULA: C10H9N4ClS
3677 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N 3678 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N
3678 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl 3679 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl
3679 NAME: Thiacloprid
3680 RETENTIONTIME: 4.159843 3680 RETENTIONTIME: 4.159843
3681 PRECURSORMZ: 253.0315 3681 PRECURSORMZ: 253.0315
3682 PRECURSORTYPE: [M+H]+ 3682 PRECURSORTYPE: [M+H]+
3683 INSTRUMENTTYPE: LC-ESI-Orbitrap 3683 INSTRUMENTTYPE: LC-ESI-Orbitrap
3684 NUM PEAKS: 6 3684 NUM PEAKS: 6
3687 98.99973 1052050.0 3687 98.99973 1052050.0
3688 108.0446 146293.0 3688 108.0446 146293.0
3689 126.01085 11655971.0 3689 126.01085 11655971.0
3690 144.02113 633179.0 3690 144.02113 633179.0
3691 3691
3692 NAME: Thiamethoxam
3692 FORMULA: C8H10N5O3ClS 3693 FORMULA: C8H10N5O3ClS
3693 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N 3694 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N
3694 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl 3695 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl
3695 NAME: Thiamethoxam
3696 RETENTIONTIME: 2.35524 3696 RETENTIONTIME: 2.35524
3697 PRECURSORMZ: 292.0273 3697 PRECURSORMZ: 292.0273
3698 PRECURSORTYPE: [M+H]+ 3698 PRECURSORTYPE: [M+H]+
3699 INSTRUMENTTYPE: LC-ESI-Orbitrap 3699 INSTRUMENTTYPE: LC-ESI-Orbitrap
3700 NUM PEAKS: 10 3700 NUM PEAKS: 10
3707 245.02655 33196.0 3707 245.02655 33196.0
3708 246.0343 359117.0 3708 246.0343 359117.0
3709 248.02554 112237.0 3709 248.02554 112237.0
3710 292.02722 584625.0 3710 292.02722 584625.0
3711 3711
3712 NAME: Tricyclazole
3712 FORMULA: C9H7N3S 3713 FORMULA: C9H7N3S
3713 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N 3714 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
3714 SMILES: Cc1cccc2c1n1cnnc1s2 3715 SMILES: Cc1cccc2c1n1cnnc1s2
3715 NAME: Tricyclazole
3716 RETENTIONTIME: 5.514598 3716 RETENTIONTIME: 5.514598
3717 PRECURSORMZ: 190.0439 3717 PRECURSORMZ: 190.0439
3718 PRECURSORTYPE: [M+H]+ 3718 PRECURSORTYPE: [M+H]+
3719 INSTRUMENTTYPE: LC-ESI-Orbitrap 3719 INSTRUMENTTYPE: LC-ESI-Orbitrap
3720 NUM PEAKS: 10 3720 NUM PEAKS: 10
3727 136.02161 16492967.0 3727 136.02161 16492967.0
3728 137.01691 212259.0 3728 137.01691 212259.0
3729 163.03258 14491751.0 3729 163.03258 14491751.0
3730 190.04391 4390148.0 3730 190.04391 4390148.0
3731 3731
3732 NAME: Fenarimol
3732 FORMULA: C17H12N2OCl2 3733 FORMULA: C17H12N2OCl2
3733 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N 3734 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N
3734 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O 3735 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
3735 NAME: Fenarimol
3736 RETENTIONTIME: 6.876775 3736 RETENTIONTIME: 6.876775
3737 PRECURSORMZ: 331.0412 3737 PRECURSORMZ: 331.0412
3738 PRECURSORTYPE: [M+H]+ 3738 PRECURSORTYPE: [M+H]+
3739 INSTRUMENTTYPE: LC-ESI-Orbitrap 3739 INSTRUMENTTYPE: LC-ESI-Orbitrap
3740 NUM PEAKS: 60 3740 NUM PEAKS: 60
3797 276.03445 91579.0 3797 276.03445 91579.0
3798 277.0527 143152.0 3798 277.0527 143152.0
3799 278.06161 515869.0 3799 278.06161 515869.0
3800 279.06857 114232.0 3800 279.06857 114232.0
3801 3801
3802 NAME: Fenbuconazole
3802 FORMULA: C19H17N4Cl 3803 FORMULA: C19H17N4Cl
3803 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N 3804 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N
3804 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl 3805 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl
3805 NAME: Fenbuconazole
3806 RETENTIONTIME: 7.045859 3806 RETENTIONTIME: 7.045859
3807 PRECURSORMZ: 337.1223 3807 PRECURSORMZ: 337.1223
3808 PRECURSORTYPE: [M+H]+ 3808 PRECURSORTYPE: [M+H]+
3809 INSTRUMENTTYPE: LC-ESI-Orbitrap 3809 INSTRUMENTTYPE: LC-ESI-Orbitrap
3810 NUM PEAKS: 9 3810 NUM PEAKS: 9
3816 129.07021 1018109.0 3816 129.07021 1018109.0
3817 139.0309 716816.0 3817 139.0309 716816.0
3818 155.06064 335216.0 3818 155.06064 335216.0
3819 163.0309 736285.0 3819 163.0309 736285.0
3820 3820
3821 NAME: Fluquinconazole
3821 FORMULA: C16H8N5OCl2F 3822 FORMULA: C16H8N5OCl2F
3822 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N 3823 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
3823 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1 3824 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1
3824 NAME: Fluquinconazole
3825 RETENTIONTIME: 7.093534 3825 RETENTIONTIME: 7.093534
3826 PRECURSORMZ: 376.0173 3826 PRECURSORMZ: 376.0173
3827 PRECURSORTYPE: [M+H]+ 3827 PRECURSORTYPE: [M+H]+
3828 INSTRUMENTTYPE: LC-ESI-Orbitrap 3828 INSTRUMENTTYPE: LC-ESI-Orbitrap
3829 NUM PEAKS: 22 3829 NUM PEAKS: 22
3848 331.97888 91552.0 3848 331.97888 91552.0
3849 339.01056 449848.0 3849 339.01056 449848.0
3850 349.00613 731296.0 3850 349.00613 731296.0
3851 349.98984 271485.0 3851 349.98984 271485.0
3852 3852
3853 NAME: Flutriafol
3853 FORMULA: C16H13N3OF2 3854 FORMULA: C16H13N3OF2
3854 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N 3855 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N
3855 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O 3856 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O
3856 NAME: Flutriafol
3857 RETENTIONTIME: 5.240544 3857 RETENTIONTIME: 5.240544
3858 PRECURSORMZ: 302.1111 3858 PRECURSORMZ: 302.1111
3859 PRECURSORTYPE: [M+H]+ 3859 PRECURSORTYPE: [M+H]+
3860 INSTRUMENTTYPE: LC-ESI-Orbitrap 3860 INSTRUMENTTYPE: LC-ESI-Orbitrap
3861 NUM PEAKS: 11 3861 NUM PEAKS: 11
3869 194.05283 196543.0 3869 194.05283 196543.0
3870 195.06081 577107.0 3870 195.06081 577107.0
3871 214.05884 311976.0 3871 214.05884 311976.0
3872 215.0668 353163.0 3872 215.0668 353163.0
3873 3873
3874 NAME: Fuberidazole
3874 FORMULA: C11H8N2O 3875 FORMULA: C11H8N2O
3875 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N 3876 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
3876 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2 3877 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2
3877 NAME: Fuberidazole
3878 RETENTIONTIME: 2.456748 3878 RETENTIONTIME: 2.456748
3879 PRECURSORMZ: 185.0715 3879 PRECURSORMZ: 185.0715
3880 PRECURSORTYPE: [M+H]+ 3880 PRECURSORTYPE: [M+H]+
3881 INSTRUMENTTYPE: LC-ESI-Orbitrap 3881 INSTRUMENTTYPE: LC-ESI-Orbitrap
3882 NUM PEAKS: 15 3882 NUM PEAKS: 15
3894 155.06064 2222038.0 3894 155.06064 2222038.0
3895 156.06877 35950644.0 3895 156.06877 35950644.0
3896 157.07619 39653584.0 3896 157.07619 39653584.0
3897 185.0714 6790632.0 3897 185.0714 6790632.0
3898 3898
3899 NAME: Cyproconazole_1
3899 FORMULA: C15H18N3OCl 3900 FORMULA: C15H18N3OCl
3900 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N 3901 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
3901 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 3902 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
3902 NAME: Cyproconazole_1
3903 RETENTIONTIME: 6.138374 3903 RETENTIONTIME: 6.138374
3904 PRECURSORMZ: 292.122 3904 PRECURSORMZ: 292.122
3905 PRECURSORTYPE: [M+H]+ 3905 PRECURSORTYPE: [M+H]+
3906 INSTRUMENTTYPE: LC-ESI-Orbitrap 3906 INSTRUMENTTYPE: LC-ESI-Orbitrap
3907 NUM PEAKS: 4 3907 NUM PEAKS: 4
3908 89.03882 111896.0 3908 89.03882 111896.0
3909 125.01532 6537308.0 3909 125.01532 6537308.0
3910 138.99483 329090.0 3910 138.99483 329090.0
3911 139.00581 166501.0 3911 139.00581 166501.0
3912 3912
3913 NAME: Cyproconazole_2
3913 FORMULA: C15H18N3OCl 3914 FORMULA: C15H18N3OCl
3914 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N 3915 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
3915 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 3916 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
3916 NAME: Cyproconazole_2
3917 RETENTIONTIME: 6.36811 3917 RETENTIONTIME: 6.36811
3918 PRECURSORMZ: 292.1225 3918 PRECURSORMZ: 292.1225
3919 PRECURSORTYPE: [M+H]+ 3919 PRECURSORTYPE: [M+H]+
3920 INSTRUMENTTYPE: LC-ESI-Orbitrap 3920 INSTRUMENTTYPE: LC-ESI-Orbitrap
3921 NUM PEAKS: 4 3921 NUM PEAKS: 4
3922 89.03882 144933.0 3922 89.03882 144933.0
3923 125.01532 8553550.0 3923 125.01532 8553550.0
3924 138.99483 403028.0 3924 138.99483 403028.0
3925 139.00581 198856.0 3925 139.00581 198856.0
3926 3926
3927 NAME: Diclobutrazol
3927 FORMULA: C15H19N3OCl2 3928 FORMULA: C15H19N3OCl2
3928 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N 3929 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
3929 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1 3930 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1
3930 NAME: Diclobutrazol
3931 RETENTIONTIME: 6.830443 3931 RETENTIONTIME: 6.830443
3932 PRECURSORMZ: 328.0983 3932 PRECURSORMZ: 328.0983
3933 PRECURSORTYPE: [M+H]+ 3933 PRECURSORTYPE: [M+H]+
3934 INSTRUMENTTYPE: LC-ESI-Orbitrap 3934 INSTRUMENTTYPE: LC-ESI-Orbitrap
3935 NUM PEAKS: 11 3935 NUM PEAKS: 11
3943 174.97104 486149.0 3943 174.97104 486149.0
3944 186.97108 498843.0 3944 186.97108 498843.0
3945 190.96622 746907.0 3945 190.96622 746907.0
3946 199.00793 579087.0 3946 199.00793 579087.0
3947 3947
3948 NAME: Difenoconazole
3948 FORMULA: C19H17N3O3Cl2 3949 FORMULA: C19H17N3O3Cl2
3949 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N 3950 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
3950 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl 3951 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl
3951 NAME: Difenoconazole
3952 RETENTIONTIME: 7.351549 3952 RETENTIONTIME: 7.351549
3953 PRECURSORMZ: 406.0727 3953 PRECURSORMZ: 406.0727
3954 PRECURSORTYPE: [M+H]+ 3954 PRECURSORTYPE: [M+H]+
3955 INSTRUMENTTYPE: LC-ESI-Orbitrap 3955 INSTRUMENTTYPE: LC-ESI-Orbitrap
3956 NUM PEAKS: 13 3956 NUM PEAKS: 13
3966 216.03418 363614.0 3966 216.03418 363614.0
3967 223.00838 2665156.0 3967 223.00838 2665156.0
3968 251.0031 32513990.0 3968 251.0031 32513990.0
3969 264.98291 3756956.0 3969 264.98291 3756956.0
3970 3970
3971 NAME: Diniconazole
3971 FORMULA: C15H17N3OCl2 3972 FORMULA: C15H17N3OCl2
3972 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N 3973 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N
3973 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1 3974 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1
3974 NAME: Diniconazole
3975 RETENTIONTIME: 6.999194 3975 RETENTIONTIME: 6.999194
3976 PRECURSORMZ: 326.0832 3976 PRECURSORMZ: 326.0832
3977 PRECURSORTYPE: [M+H]+ 3977 PRECURSORTYPE: [M+H]+
3978 INSTRUMENTTYPE: LC-ESI-Orbitrap 3978 INSTRUMENTTYPE: LC-ESI-Orbitrap
3979 NUM PEAKS: 52 3979 NUM PEAKS: 52
4028 252.00932 126391.0 4028 252.00932 126391.0
4029 264.0097 43206.0 4029 264.0097 43206.0
4030 270.01987 48934.0 4030 270.01987 48934.0
4031 278.02554 102202.0 4031 278.02554 102202.0
4032 4032
4033 NAME: Epoxiconazole
4033 FORMULA: C17H13N3OClF 4034 FORMULA: C17H13N3OClF
4034 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N 4035 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N
4035 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl 4036 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl
4036 NAME: Epoxiconazole
4037 RETENTIONTIME: 6.999194 4037 RETENTIONTIME: 6.999194
4038 PRECURSORMZ: 330.0806 4038 PRECURSORMZ: 330.0806
4039 PRECURSORTYPE: [M+H]+ 4039 PRECURSORTYPE: [M+H]+
4040 INSTRUMENTTYPE: LC-ESI-Orbitrap 4040 INSTRUMENTTYPE: LC-ESI-Orbitrap
4041 NUM PEAKS: 12 4041 NUM PEAKS: 12
4050 123.03517 2030362.0 4050 123.03517 2030362.0
4051 129.04501 7068444.0 4051 129.04501 7068444.0
4052 138.99483 468356.0 4052 138.99483 468356.0
4053 141.01048 1219612.0 4053 141.01048 1219612.0
4054 4054
4055 NAME: Etaconazole
4055 FORMULA: C14H15N3O2Cl2 4056 FORMULA: C14H15N3O2Cl2
4056 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N 4057 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N
4057 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl 4058 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
4058 NAME: Etaconazole
4059 RETENTIONTIME: 6.802904 4059 RETENTIONTIME: 6.802904
4060 PRECURSORMZ: 328.0626 4060 PRECURSORMZ: 328.0626
4061 PRECURSORTYPE: [M+H]+ 4061 PRECURSORTYPE: [M+H]+
4062 INSTRUMENTTYPE: LC-ESI-Orbitrap 4062 INSTRUMENTTYPE: LC-ESI-Orbitrap
4063 NUM PEAKS: 10 4063 NUM PEAKS: 10
4070 172.99223 970218.0 4070 172.99223 970218.0
4071 174.97166 597883.0 4071 174.97166 597883.0
4072 190.96622 527039.0 4072 190.96622 527039.0
4073 199.00793 567443.0 4073 199.00793 567443.0
4074 4074
4075 NAME: Ethirimol
4075 FORMULA: C11H19N3O 4076 FORMULA: C11H19N3O
4076 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N 4077 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N
4077 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C 4078 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C
4078 NAME: Ethirimol
4079 RETENTIONTIME: 2.246086 4079 RETENTIONTIME: 2.246086
4080 PRECURSORMZ: 210.1608 4080 PRECURSORMZ: 210.1608
4081 PRECURSORTYPE: [M+H]+ 4081 PRECURSORTYPE: [M+H]+
4082 INSTRUMENTTYPE: LC-ESI-Orbitrap 4082 INSTRUMENTTYPE: LC-ESI-Orbitrap
4083 NUM PEAKS: 32 4083 NUM PEAKS: 32
4112 167.10577 1091732.0 4112 167.10577 1091732.0
4113 182.12912 2661313.0 4113 182.12912 2661313.0
4114 193.13402 1554662.0 4114 193.13402 1554662.0
4115 210.15997 2414378.0 4115 210.15997 2414378.0
4116 4116
4117 NAME: Hexaconazole
4117 FORMULA: C14H17N3OCl2 4118 FORMULA: C14H17N3OCl2
4118 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N 4119 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N
4119 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O 4120 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O
4120 NAME: Hexaconazole
4121 RETENTIONTIME: 6.793731 4121 RETENTIONTIME: 6.793731
4122 PRECURSORMZ: 314.0833 4122 PRECURSORMZ: 314.0833
4123 PRECURSORTYPE: [M+H]+ 4123 PRECURSORTYPE: [M+H]+
4124 INSTRUMENTTYPE: LC-ESI-Orbitrap 4124 INSTRUMENTTYPE: LC-ESI-Orbitrap
4125 NUM PEAKS: 16 4125 NUM PEAKS: 16
4138 172.99223 112377.0 4138 172.99223 112377.0
4139 174.97166 740773.0 4139 174.97166 740773.0
4140 184.99236 690533.0 4140 184.99236 690533.0
4141 188.98734 151249.0 4141 188.98734 151249.0
4142 4142
4143 NAME: Ipconazole
4143 FORMULA: C18H24N3OCl 4144 FORMULA: C18H24N3OCl
4144 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N 4145 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
4145 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C 4146 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C
4146 NAME: Ipconazole
4147 RETENTIONTIME: 7.112235 4147 RETENTIONTIME: 7.112235
4148 PRECURSORMZ: 334.1694 4148 PRECURSORMZ: 334.1694
4149 PRECURSORTYPE: [M+H]+ 4149 PRECURSORTYPE: [M+H]+
4150 INSTRUMENTTYPE: LC-ESI-Orbitrap 4150 INSTRUMENTTYPE: LC-ESI-Orbitrap
4151 NUM PEAKS: 18 4151 NUM PEAKS: 18
4166 163.0309 672001.0 4166 163.0309 672001.0
4167 165.04663 173374.0 4167 165.04663 173374.0
4168 177.04655 269267.0 4168 177.04655 269267.0
4169 191.06258 291856.0 4169 191.06258 291856.0
4170 4170
4171 NAME: Metconazole
4171 FORMULA: C17H22N3OCl 4172 FORMULA: C17H22N3OCl
4172 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N 4173 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
4173 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl 4174 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl
4174 NAME: Metconazole
4175 RETENTIONTIME: 7.017605 4175 RETENTIONTIME: 7.017605
4176 PRECURSORMZ: 320.1538 4176 PRECURSORMZ: 320.1538
4177 PRECURSORTYPE: [M+H]+ 4177 PRECURSORTYPE: [M+H]+
4178 INSTRUMENTTYPE: LC-ESI-Orbitrap 4178 INSTRUMENTTYPE: LC-ESI-Orbitrap
4179 NUM PEAKS: 13 4179 NUM PEAKS: 13
4189 163.0309 398692.0 4189 163.0309 398692.0
4190 165.04663 82686.0 4190 165.04663 82686.0
4191 177.04655 645875.0 4191 177.04655 645875.0
4192 191.06258 194319.0 4192 191.06258 194319.0
4193 4193
4194 NAME: Nuarimol
4194 FORMULA: C17H12N2OClF 4195 FORMULA: C17H12N2OClF
4195 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N 4196 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N
4196 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O 4197 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
4197 NAME: Nuarimol
4198 RETENTIONTIME: 6.452959 4198 RETENTIONTIME: 6.452959
4199 PRECURSORMZ: 315.0705 4199 PRECURSORMZ: 315.0705
4200 PRECURSORTYPE: [M+H]+ 4200 PRECURSORTYPE: [M+H]+
4201 INSTRUMENTTYPE: LC-ESI-Orbitrap 4201 INSTRUMENTTYPE: LC-ESI-Orbitrap
4202 NUM PEAKS: 59 4202 NUM PEAKS: 59
4258 262.0907 121243.0 4258 262.0907 121243.0
4259 263.09796 32958.0 4259 263.09796 32958.0
4260 269.04013 16405.0 4260 269.04013 16405.0
4261 270.04846 16960.0 4261 270.04846 16960.0
4262 4262
4263 NAME: Paclobutrazol
4263 FORMULA: C15H20N3OCl 4264 FORMULA: C15H20N3OCl
4264 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N 4265 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N
4265 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl 4266 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl
4266 NAME: Paclobutrazol
4267 RETENTIONTIME: 6.358851 4267 RETENTIONTIME: 6.358851
4268 PRECURSORMZ: 294.1362 4268 PRECURSORMZ: 294.1362
4269 PRECURSORTYPE: [M+H]+ 4269 PRECURSORTYPE: [M+H]+
4270 INSTRUMENTTYPE: LC-ESI-Orbitrap 4270 INSTRUMENTTYPE: LC-ESI-Orbitrap
4271 NUM PEAKS: 22 4271 NUM PEAKS: 22
4290 141.01048 108664.0 4290 141.01048 108664.0
4291 151.03107 202825.0 4291 151.03107 202825.0
4292 165.04663 986782.0 4292 165.04663 986782.0
4293 173.50876 86407.0 4293 173.50876 86407.0
4294 4294
4295 NAME: Penconazole
4295 FORMULA: C13H15N3Cl2 4296 FORMULA: C13H15N3Cl2
4296 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N 4297 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N
4297 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1 4298 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1
4298 NAME: Penconazole
4299 RETENTIONTIME: 6.747501 4299 RETENTIONTIME: 6.747501
4300 PRECURSORMZ: 284.0724 4300 PRECURSORMZ: 284.0724
4301 PRECURSORTYPE: [M+H]+ 4301 PRECURSORTYPE: [M+H]+
4302 INSTRUMENTTYPE: LC-ESI-Orbitrap 4302 INSTRUMENTTYPE: LC-ESI-Orbitrap
4303 NUM PEAKS: 5 4303 NUM PEAKS: 5
4305 122.99965 1405085.0 4305 122.99965 1405085.0
4306 137.01562 2859486.0 4306 137.01562 2859486.0
4307 158.97626 62049868.0 4307 158.97626 62049868.0
4308 172.99223 3885430.0 4308 172.99223 3885430.0
4309 4309
4310 NAME: Propiconazole
4310 FORMULA: C15H17N3O2Cl2 4311 FORMULA: C15H17N3O2Cl2
4311 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N 4312 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
4312 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl 4313 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
4313 NAME: Propiconazole
4314 RETENTIONTIME: 6.999194 4314 RETENTIONTIME: 6.999194
4315 PRECURSORMZ: 342.0777 4315 PRECURSORMZ: 342.0777
4316 PRECURSORTYPE: [M+H]+ 4316 PRECURSORTYPE: [M+H]+
4317 INSTRUMENTTYPE: LC-ESI-Orbitrap 4317 INSTRUMENTTYPE: LC-ESI-Orbitrap
4318 NUM PEAKS: 5 4318 NUM PEAKS: 5
4320 158.97626 24240670.0 4320 158.97626 24240670.0
4321 172.9556 1323126.0 4321 172.9556 1323126.0
4322 186.97108 391981.0 4322 186.97108 391981.0
4323 190.96622 431621.0 4323 190.96622 431621.0
4324 4324
4325 NAME: Tebuconazole
4325 FORMULA: C16H22N3OCl 4326 FORMULA: C16H22N3OCl
4326 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N 4327 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N
4327 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O 4328 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O
4328 NAME: Tebuconazole
4329 RETENTIONTIME: 6.933391 4329 RETENTIONTIME: 6.933391
4330 PRECURSORMZ: 308.1532 4330 PRECURSORMZ: 308.1532
4331 PRECURSORTYPE: [M+H]+ 4331 PRECURSORTYPE: [M+H]+
4332 INSTRUMENTTYPE: LC-ESI-Orbitrap 4332 INSTRUMENTTYPE: LC-ESI-Orbitrap
4333 NUM PEAKS: 15 4333 NUM PEAKS: 15
4345 144.09352 109186.0 4345 144.09352 109186.0
4346 151.03107 2225088.0 4346 151.03107 2225088.0
4347 165.04663 474739.0 4347 165.04663 474739.0
4348 179.0621 93619.0 4348 179.0621 93619.0
4349 4349
4350 NAME: Tetraconazole
4350 FORMULA: C13H11N3OCl2F4 4351 FORMULA: C13H11N3OCl2F4
4351 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N 4352 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N
4352 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F 4353 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F
4353 NAME: Tetraconazole
4354 RETENTIONTIME: 6.434036 4354 RETENTIONTIME: 6.434036
4355 PRECURSORMZ: 372.0302 4355 PRECURSORMZ: 372.0302
4356 PRECURSORTYPE: [M+H]+ 4356 PRECURSORTYPE: [M+H]+
4357 INSTRUMENTTYPE: LC-ESI-Orbitrap 4357 INSTRUMENTTYPE: LC-ESI-Orbitrap
4358 NUM PEAKS: 6 4358 NUM PEAKS: 6
4361 150.02344 1143618.0 4361 150.02344 1143618.0
4362 158.97679 15780315.0 4362 158.97679 15780315.0
4363 176.96693 301907.0 4363 176.96693 301907.0
4364 184.99236 249943.0 4364 184.99236 249943.0
4365 4365
4366 NAME: Triflumizole
4366 FORMULA: C15H15N3OClF3 4367 FORMULA: C15H15N3OClF3
4367 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N 4368 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
4368 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1 4369 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1
4369 NAME: Triflumizole
4370 RETENTIONTIME: 6.821252 4370 RETENTIONTIME: 6.821252
4371 PRECURSORMZ: 346.094 4371 PRECURSORMZ: 346.094
4372 PRECURSORTYPE: [M+H]+ 4372 PRECURSORTYPE: [M+H]+
4373 INSTRUMENTTYPE: LC-ESI-Orbitrap 4373 INSTRUMENTTYPE: LC-ESI-Orbitrap
4374 NUM PEAKS: 2 4374 NUM PEAKS: 2
4375 278.05542 29552484.0 4375 278.05542 29552484.0
4376 346.09351 955540.0 4376 346.09351 955540.0
4377 4377
4378 NAME: Triticonazole
4378 FORMULA: C17H20N3OCl 4379 FORMULA: C17H20N3OCl
4379 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N 4380 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N
4380 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C 4381 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C
4381 NAME: Triticonazole
4382 RETENTIONTIME: 6.793731 4382 RETENTIONTIME: 6.793731
4383 PRECURSORMZ: 318.1369 4383 PRECURSORMZ: 318.1369
4384 PRECURSORTYPE: [M+H]+ 4384 PRECURSORTYPE: [M+H]+
4385 INSTRUMENTTYPE: LC-ESI-Orbitrap 4385 INSTRUMENTTYPE: LC-ESI-Orbitrap
4386 NUM PEAKS: 59 4386 NUM PEAKS: 59
4442 189.05568 66741.0 4442 189.05568 66741.0
4443 190.04179 48399.0 4443 190.04179 48399.0
4444 191.06258 581232.0 4444 191.06258 581232.0
4445 196.12456 74697.0 4445 196.12456 74697.0
4446 4446
4447 NAME: Spinetoram L
4447 FORMULA: C43H69NO10 4448 FORMULA: C43H69NO10
4448 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N 4449 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N
4449 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 4450 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
4450 NAME: Spinetoram L
4451 RETENTIONTIME: 6.970665 4451 RETENTIONTIME: 6.970665
4452 PRECURSORMZ: 760.5021 4452 PRECURSORMZ: 760.5021
4453 PRECURSORTYPE: [M+H]+ 4453 PRECURSORTYPE: [M+H]+
4454 INSTRUMENTTYPE: LC-ESI-Orbitrap 4454 INSTRUMENTTYPE: LC-ESI-Orbitrap
4455 NUM PEAKS: 21 4455 NUM PEAKS: 21
4473 173.50752 93996.0 4473 173.50752 93996.0
4474 183.11732 117521.0 4474 183.11732 117521.0
4475 211.11166 121662.0 4475 211.11166 121662.0
4476 213.09132 89441.0 4476 213.09132 89441.0
4477 4477
4478 NAME: Emamectin benzoate
4478 FORMULA: C49H75NO13 4479 FORMULA: C49H75NO13
4479 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N 4480 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N
4480 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 4481 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
4481 NAME: Emamectin benzoate
4482 RETENTIONTIME: 6.999389 4482 RETENTIONTIME: 6.999389
4483 PRECURSORMZ: 886.5328 4483 PRECURSORMZ: 886.5328
4484 PRECURSORTYPE: [M+H]+ 4484 PRECURSORTYPE: [M+H]+
4485 INSTRUMENTTYPE: LC-ESI-Orbitrap 4485 INSTRUMENTTYPE: LC-ESI-Orbitrap
4486 NUM PEAKS: 11 4486 NUM PEAKS: 11
4494 126.09174 1876739.0 4494 126.09174 1876739.0
4495 140.10709 213152.0 4495 140.10709 213152.0
4496 158.11794 18414448.0 4496 158.11794 18414448.0
4497 173.50876 230972.0 4497 173.50876 230972.0
4498 4498
4499 NAME: Fenpropimorph
4499 FORMULA: C20H33NO 4500 FORMULA: C20H33NO
4500 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N 4501 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
4501 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C 4502 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C
4502 NAME: Fenpropimorph
4503 RETENTIONTIME: 4.613603 4503 RETENTIONTIME: 4.613603
4504 PRECURSORMZ: 304.2642 4504 PRECURSORMZ: 304.2642
4505 PRECURSORTYPE: [M+H]+ 4505 PRECURSORTYPE: [M+H]+
4506 INSTRUMENTTYPE: LC-ESI-Orbitrap 4506 INSTRUMENTTYPE: LC-ESI-Orbitrap
4507 NUM PEAKS: 14 4507 NUM PEAKS: 14
4518 145.10147 350602.0 4518 145.10147 350602.0
4519 147.11678 29169826.0 4519 147.11678 29169826.0
4520 161.13254 881881.0 4520 161.13254 881881.0
4521 304.26379 2555976.0 4521 304.26379 2555976.0
4522 4522
4523 NAME: Spirodiclofen
4523 FORMULA: C21H24O4Cl2 4524 FORMULA: C21H24O4Cl2
4524 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N 4525 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N
4525 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C 4526 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C
4526 NAME: Spirodiclofen
4527 RETENTIONTIME: 7.279784 4527 RETENTIONTIME: 7.279784
4528 PRECURSORMZ: 411.1127 4528 PRECURSORMZ: 411.1127
4529 PRECURSORTYPE: [M+H]+ 4529 PRECURSORTYPE: [M+H]+
4530 INSTRUMENTTYPE: LC-ESI-Orbitrap 4530 INSTRUMENTTYPE: LC-ESI-Orbitrap
4531 NUM PEAKS: 3 4531 NUM PEAKS: 3
4532 313.03357 548684.0 4532 313.03357 548684.0
4533 313.03952 12618725.0 4533 313.03952 12618725.0
4534 411.11246 2380661.0 4534 411.11246 2380661.0
4535 4535
4536 NAME: Spinosad
4536 FORMULA: C41H65NO10 4537 FORMULA: C41H65NO10
4537 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N 4538 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N
4538 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 4539 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
4539 NAME: Spinosad
4540 RETENTIONTIME: 6.884336 4540 RETENTIONTIME: 6.884336
4541 PRECURSORMZ: 732.4695 4541 PRECURSORMZ: 732.4695
4542 PRECURSORTYPE: [M+H]+ 4542 PRECURSORTYPE: [M+H]+
4543 INSTRUMENTTYPE: LC-ESI-Orbitrap 4543 INSTRUMENTTYPE: LC-ESI-Orbitrap
4544 NUM PEAKS: 24 4544 NUM PEAKS: 24
4565 197.09599 753984.0 4565 197.09599 753984.0
4566 199.07574 416158.0 4566 199.07574 416158.0
4567 201.0916 354498.0 4567 201.0916 354498.0
4568 225.09103 339682.0 4568 225.09103 339682.0
4569 4569
4570 NAME: Spirotetramat
4570 FORMULA: C21H27NO5 4571 FORMULA: C21H27NO5
4571 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N 4572 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
4572 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C 4573 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C
4573 NAME: Spirotetramat
4574 RETENTIONTIME: 6.637813 4574 RETENTIONTIME: 6.637813
4575 PRECURSORMZ: 374.1972 4575 PRECURSORMZ: 374.1972
4576 PRECURSORTYPE: [M+H]+ 4576 PRECURSORTYPE: [M+H]+
4577 INSTRUMENTTYPE: LC-ESI-Orbitrap 4577 INSTRUMENTTYPE: LC-ESI-Orbitrap
4578 NUM PEAKS: 25 4578 NUM PEAKS: 25
4600 244.13345 5845476.0 4600 244.13345 5845476.0
4601 253.12317 483222.0 4601 253.12317 483222.0
4602 270.14972 5260680.0 4602 270.14972 5260680.0
4603 302.17508 467268.0 4603 302.17508 467268.0
4604 4604
4605 NAME: Spinetoram J
4605 FORMULA: C42H69NO10 4606 FORMULA: C42H69NO10
4606 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N 4607 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N
4607 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 4608 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
4608 NAME: Spinetoram J
4609 RETENTIONTIME: 6.875065 4609 RETENTIONTIME: 6.875065
4610 PRECURSORMZ: 748.4996 4610 PRECURSORMZ: 748.4996
4611 PRECURSORTYPE: [M+H]+ 4611 PRECURSORTYPE: [M+H]+
4612 INSTRUMENTTYPE: LC-ESI-Orbitrap 4612 INSTRUMENTTYPE: LC-ESI-Orbitrap
4613 NUM PEAKS: 19 4613 NUM PEAKS: 19
4629 171.11707 230127.0 4629 171.11707 230127.0
4630 199.11194 246050.0 4630 199.11194 246050.0
4631 203.10715 581698.0 4631 203.10715 581698.0
4632 217.12222 236328.0 4632 217.12222 236328.0
4633 4633
4634 NAME: Hydramethylnon
4634 FORMULA: C25H24N4F6 4635 FORMULA: C25H24N4F6
4635 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N 4636 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N
4636 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F 4637 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F
4637 NAME: Hydramethylnon
4638 RETENTIONTIME: 6.67979 4638 RETENTIONTIME: 6.67979
4639 PRECURSORMZ: 495.1986 4639 PRECURSORMZ: 495.1986
4640 PRECURSORTYPE: [M+H]+ 4640 PRECURSORTYPE: [M+H]+
4641 INSTRUMENTTYPE: LC-ESI-Orbitrap 4641 INSTRUMENTTYPE: LC-ESI-Orbitrap
4642 NUM PEAKS: 48 4642 NUM PEAKS: 48
4687 353.0658 262110.0 4687 353.0658 262110.0
4688 366.07346 193709.0 4688 366.07346 193709.0
4689 368.08932 5815862.0 4689 368.08932 5815862.0
4690 495.20059 2433116.0 4690 495.20059 2433116.0
4691 4691
4692 NAME: Aminocarb_1
4692 FORMULA: C11H16N2O2 4693 FORMULA: C11H16N2O2
4693 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N 4694 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
4694 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O 4695 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
4695 NAME: Aminocarb_1
4696 RETENTIONTIME: 0.8035756 4696 RETENTIONTIME: 0.8035756
4697 PRECURSORMZ: 209.129 4697 PRECURSORMZ: 209.129
4698 PRECURSORTYPE: [M+H]+ 4698 PRECURSORTYPE: [M+H]+
4699 INSTRUMENTTYPE: LC-ESI-Orbitrap 4699 INSTRUMENTTYPE: LC-ESI-Orbitrap
4700 NUM PEAKS: 5 4700 NUM PEAKS: 5
4702 122.06016 1917070.0 4702 122.06016 1917070.0
4703 136.07611 928093.0 4703 136.07611 928093.0
4704 137.08363 8823033.0 4704 137.08363 8823033.0
4705 152.10725 186336.0 4705 152.10725 186336.0
4706 4706
4707 NAME: Aminocarb_2
4707 FORMULA: C11H16N2O2 4708 FORMULA: C11H16N2O2
4708 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N 4709 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
4709 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O 4710 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
4710 NAME: Aminocarb_2
4711 RETENTIONTIME: 1.13997 4711 RETENTIONTIME: 1.13997
4712 PRECURSORMZ: 209.129 4712 PRECURSORMZ: 209.129
4713 PRECURSORTYPE: [M+H]+ 4713 PRECURSORTYPE: [M+H]+
4714 INSTRUMENTTYPE: LC-ESI-Orbitrap 4714 INSTRUMENTTYPE: LC-ESI-Orbitrap
4715 NUM PEAKS: 5 4715 NUM PEAKS: 5
4717 122.06016 2666029.0 4717 122.06016 2666029.0
4718 136.07611 1253139.0 4718 136.07611 1253139.0
4719 137.08363 12201258.0 4719 137.08363 12201258.0
4720 152.10725 242082.0 4720 152.10725 242082.0
4721 4721
4722 NAME: Propamocarb_1
4722 FORMULA: C9H20N2O2 4723 FORMULA: C9H20N2O2
4723 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N 4724 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
4724 SMILES: CCCOC(=NCCCN(C)C)O 4725 SMILES: CCCOC(=NCCCN(C)C)O
4725 NAME: Propamocarb_1
4726 RETENTIONTIME: 0.7535679 4726 RETENTIONTIME: 0.7535679
4727 PRECURSORMZ: 189.1603 4727 PRECURSORMZ: 189.1603
4728 PRECURSORTYPE: [M+H]+ 4728 PRECURSORTYPE: [M+H]+
4729 INSTRUMENTTYPE: LC-ESI-Orbitrap 4729 INSTRUMENTTYPE: LC-ESI-Orbitrap
4730 NUM PEAKS: 2 4730 NUM PEAKS: 2
4731 86.0966 201548.0 4731 86.0966 201548.0
4732 102.05516 5038638.0 4732 102.05516 5038638.0
4733 4733
4734 NAME: Propamocarb_2
4734 FORMULA: C9H20N2O2 4735 FORMULA: C9H20N2O2
4735 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N 4736 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
4736 SMILES: CCCOC(=NCCCN(C)C)O 4737 SMILES: CCCOC(=NCCCN(C)C)O
4737 NAME: Propamocarb_2
4738 RETENTIONTIME: 1.081971 4738 RETENTIONTIME: 1.081971
4739 PRECURSORMZ: 189.1603 4739 PRECURSORMZ: 189.1603
4740 PRECURSORTYPE: [M+H]+ 4740 PRECURSORTYPE: [M+H]+
4741 INSTRUMENTTYPE: LC-ESI-Orbitrap 4741 INSTRUMENTTYPE: LC-ESI-Orbitrap
4742 NUM PEAKS: 2 4742 NUM PEAKS: 2
4743 86.0966 107829.0 4743 86.0966 107829.0
4744 102.05516 2507023.0 4744 102.05516 2507023.0
4745 4745
4746 NAME: Formetanate_1
4746 FORMULA: C11H15N3O2 4747 FORMULA: C11H15N3O2
4747 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N 4748 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
4748 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O 4749 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
4749 NAME: Formetanate_1
4750 RETENTIONTIME: 0.7730471 4750 RETENTIONTIME: 0.7730471
4751 PRECURSORMZ: 222.1239 4751 PRECURSORMZ: 222.1239
4752 PRECURSORTYPE: [M+H]+ 4752 PRECURSORTYPE: [M+H]+
4753 INSTRUMENTTYPE: LC-ESI-Orbitrap 4753 INSTRUMENTTYPE: LC-ESI-Orbitrap
4754 NUM PEAKS: 13 4754 NUM PEAKS: 13
4764 165.1024 143887.0 4764 165.1024 143887.0
4765 173.50876 2616.0 4765 173.50876 2616.0
4766 200.05632 2056.0 4766 200.05632 2056.0
4767 208.52768 2170.0 4767 208.52768 2170.0
4768 4768
4769 NAME: Formetanate_2
4769 FORMULA: C11H15N3O2 4770 FORMULA: C11H15N3O2
4770 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N 4771 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
4771 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O 4772 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
4772 NAME: Formetanate_2
4773 RETENTIONTIME: 1.13043 4773 RETENTIONTIME: 1.13043
4774 PRECURSORMZ: 222.1239 4774 PRECURSORMZ: 222.1239
4775 PRECURSORTYPE: [M+H]+ 4775 PRECURSORTYPE: [M+H]+
4776 INSTRUMENTTYPE: LC-ESI-Orbitrap 4776 INSTRUMENTTYPE: LC-ESI-Orbitrap
4777 NUM PEAKS: 15 4777 NUM PEAKS: 15
4789 135.04427 4178.0 4789 135.04427 4178.0
4790 145.06488 3067.0 4790 145.06488 3067.0
4791 164.95049 3848.0 4791 164.95049 3848.0
4792 165.1024 263802.0 4792 165.1024 263802.0
4793 4793
4794 NAME: Mexacarbate
4794 FORMULA: C12H18N2O2 4795 FORMULA: C12H18N2O2
4795 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N 4796 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
4796 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O 4797 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O
4797 NAME: Mexacarbate
4798 RETENTIONTIME: 1.682191 4798 RETENTIONTIME: 1.682191
4799 PRECURSORMZ: 223.1443 4799 PRECURSORMZ: 223.1443
4800 PRECURSORTYPE: [M+H]+ 4800 PRECURSORTYPE: [M+H]+
4801 INSTRUMENTTYPE: LC-ESI-Orbitrap 4801 INSTRUMENTTYPE: LC-ESI-Orbitrap
4802 NUM PEAKS: 5 4802 NUM PEAKS: 5
4804 136.07611 26036728.0 4804 136.07611 26036728.0
4805 150.092 1572118.0 4805 150.092 1572118.0
4806 151.09932 54847764.0 4806 151.09932 54847764.0
4807 166.12282 1541928.0 4807 166.12282 1541928.0
4808 4808
4809 NAME: Monceren
4809 FORMULA: C19H21N2OCl 4810 FORMULA: C19H21N2OCl
4810 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N 4811 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N
4811 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1 4812 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1
4812 NAME: Monceren
4813 RETENTIONTIME: 7.14553 4813 RETENTIONTIME: 7.14553
4814 PRECURSORMZ: 329.1426 4814 PRECURSORMZ: 329.1426
4815 PRECURSORTYPE: [M+H]+ 4815 PRECURSORTYPE: [M+H]+
4816 INSTRUMENTTYPE: LC-ESI-Orbitrap 4816 INSTRUMENTTYPE: LC-ESI-Orbitrap
4817 NUM PEAKS: 5 4817 NUM PEAKS: 5
4819 94.06543 635265.0 4819 94.06543 635265.0
4820 106.06545 446416.0 4820 106.06545 446416.0
4821 125.01307 512150.0 4821 125.01307 512150.0
4822 125.01532 37442116.0 4822 125.01532 37442116.0
4823 4823
4824 NAME: Desmedipham
4824 FORMULA: C16H16N2O4 4825 FORMULA: C16H16N2O4
4825 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N 4826 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
4826 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O 4827 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O
4827 NAME: Desmedipham
4828 RETENTIONTIME: 6.430396 4828 RETENTIONTIME: 6.430396
4829 PRECURSORMZ: 301.1192 4829 PRECURSORMZ: 301.1192
4830 PRECURSORTYPE: [M+H]+ 4830 PRECURSORTYPE: [M+H]+
4831 INSTRUMENTTYPE: LC-ESI-Orbitrap 4831 INSTRUMENTTYPE: LC-ESI-Orbitrap
4832 NUM PEAKS: 3 4832 NUM PEAKS: 3
4833 136.03947 1773399.0 4833 136.03947 1773399.0
4834 154.04993 1002798.0 4834 154.04993 1002798.0
4835 182.08162 6480130.0 4835 182.08162 6480130.0
4836 4836
4837 NAME: Phenmedipham
4837 FORMULA: C16H16N2O4 4838 FORMULA: C16H16N2O4
4838 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N 4839 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N
4839 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O 4840 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O
4840 NAME: Phenmedipham
4841 RETENTIONTIME: 6.570995 4841 RETENTIONTIME: 6.570995
4842 PRECURSORMZ: 301.1185 4842 PRECURSORMZ: 301.1185
4843 PRECURSORTYPE: [M+H]+ 4843 PRECURSORTYPE: [M+H]+
4844 INSTRUMENTTYPE: LC-ESI-Orbitrap 4844 INSTRUMENTTYPE: LC-ESI-Orbitrap
4845 NUM PEAKS: 2 4845 NUM PEAKS: 2