Mercurial > repos > recetox > matchms_formatter

comparison test-data/convert/ms_lima_output.msp @ 33:5fa29e292e12 draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a57d984a9850c1faa44b6948981eb1303881ba9c
author recetox
date Thu, 14 Aug 2025 12:38:14 +0000
parents 604131c54f97
children
comparison
equal deleted inserted replaced
32:604131c54f97 33:5fa29e292e12
1 NAME: Acephate 1 NAME: Acephate
2 IONMODE: positive
2 FORMULA: C4H10NO3PS 3 FORMULA: C4H10NO3PS
3 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N 4 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N
4 SMILES: COP(=O)(N=C(O)C)SC 5 SMILES: COP(=O)(N=C(O)C)SC
5 RETENTIONTIME: 1.232997 6 RETENTIONTIME: 1.232997
6 PRECURSORMZ: 184.0194 7 PRECURSORMZ: 184.0194
23 142.99275 16419.0 24 142.99275 16419.0
24 147.94205 1750.0 25 147.94205 1750.0
25 173.5094 2353.0 26 173.5094 2353.0
26 27
27 NAME: Carbaryl 28 NAME: Carbaryl
29 IONMODE: positive
28 FORMULA: C12H11NO2 30 FORMULA: C12H11NO2
29 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N 31 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
30 SMILES: CN=C(Oc1cccc2c1cccc2)O 32 SMILES: CN=C(Oc1cccc2c1cccc2)O
31 RETENTIONTIME: 5.259445 33 RETENTIONTIME: 5.259445
32 PRECURSORMZ: 202.0863 34 PRECURSORMZ: 202.0863
34 INSTRUMENTTYPE: LC-ESI-Orbitrap 36 INSTRUMENTTYPE: LC-ESI-Orbitrap
35 NUM PEAKS: 1 37 NUM PEAKS: 1
36 145.06491 1326147.0 38 145.06491 1326147.0
37 39
38 NAME: Dicrotophos 40 NAME: Dicrotophos
41 IONMODE: positive
39 FORMULA: C8H16NO5P 42 FORMULA: C8H16NO5P
40 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N 43 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N
41 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC 44 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC
42 RETENTIONTIME: 2.025499 45 RETENTIONTIME: 2.025499
43 PRECURSORMZ: 238.0844 46 PRECURSORMZ: 238.0844
49 127.01563 3230337.0 52 127.01563 3230337.0
50 193.02605 7897744.0 53 193.02605 7897744.0
51 238.08437 2973124.0 54 238.08437 2973124.0
52 55
53 NAME: Dimethoate 56 NAME: Dimethoate
57 IONMODE: positive
54 FORMULA: C5H12NO3PS2 58 FORMULA: C5H12NO3PS2
55 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N 59 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
56 SMILES: CN=C(CSP(=S)(OC)OC)O 60 SMILES: CN=C(CSP(=S)(OC)OC)O
57 RETENTIONTIME: 2.866696 61 RETENTIONTIME: 2.866696
58 PRECURSORMZ: 230.0072 62 PRECURSORMZ: 230.0072
67 197.98123 240915.0 71 197.98123 240915.0
68 198.96501 5415933.0 72 198.96501 5415933.0
69 230.00722 497851.0 73 230.00722 497851.0
70 74
71 NAME: Dimethomorph 75 NAME: Dimethomorph
76 IONMODE: positive
72 FORMULA: C21H22NO4Cl 77 FORMULA: C21H22NO4Cl
73 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N 78 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
74 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl 79 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
75 RETENTIONTIME: 7.060486 80 RETENTIONTIME: 7.060486
76 PRECURSORMZ: 388.1316 81 PRECURSORMZ: 388.1316
99 273.06772 3866006.0 104 273.06772 3866006.0
100 286.03912 483547.0 105 286.03912 483547.0
101 301.06311 4060551.0 106 301.06311 4060551.0
102 107
103 NAME: Methamidophos 108 NAME: Methamidophos
109 IONMODE: positive
104 FORMULA: C2H8NO2PS 110 FORMULA: C2H8NO2PS
105 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N 111 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N
106 SMILES: COP(=O)(SC)N 112 SMILES: COP(=O)(SC)N
107 RETENTIONTIME: 1.153307 113 RETENTIONTIME: 1.153307
108 PRECURSORMZ: 142.0089 114 PRECURSORMZ: 142.0089
113 109.98272 71172.0 119 109.98272 71172.0
114 112.01607 2867923.0 120 112.01607 2867923.0
115 127.99321 75837.0 121 127.99321 75837.0
116 122
117 NAME: Mevinphos 123 NAME: Mevinphos
124 IONMODE: positive
118 FORMULA: C7H13O6P 125 FORMULA: C7H13O6P
119 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N 126 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N
120 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C 127 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C
121 RETENTIONTIME: 2.876307 128 RETENTIONTIME: 2.876307
122 PRECURSORMZ: 225.0525 129 PRECURSORMZ: 225.0525
127 127.01563 1960973.0 134 127.01563 1960973.0
128 193.02605 1150190.0 135 193.02605 1150190.0
129 225.05209 101872.0 136 225.05209 101872.0
130 137
131 NAME: Omethoate 138 NAME: Omethoate
139 IONMODE: positive
132 FORMULA: C5H12NO4PS 140 FORMULA: C5H12NO4PS
133 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N 141 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N
134 SMILES: CN=C(CSP(=O)(OC)OC)O 142 SMILES: CN=C(CSP(=O)(OC)OC)O
135 RETENTIONTIME: 1.33423 143 RETENTIONTIME: 1.33423
136 PRECURSORMZ: 214.0303 144 PRECURSORMZ: 214.0303
142 127.01563 4696021.0 150 127.01563 4696021.0
143 128.97701 47970.0 151 128.97701 47970.0
144 142.99275 4310988.0 152 142.99275 4310988.0
145 153
146 NAME: Temephos 154 NAME: Temephos
155 IONMODE: positive
147 FORMULA: C16H20O6P2S3 156 FORMULA: C16H20O6P2S3
148 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N 157 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N
149 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC 158 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC
150 RETENTIONTIME: 7.736881 159 RETENTIONTIME: 7.736881
151 PRECURSORMZ: 466.9978 160 PRECURSORMZ: 466.9978
196 356.03104 227870.0 205 356.03104 227870.0
197 357.03922 75786.0 206 357.03922 75786.0
198 387.9765 125383.0 207 387.9765 125383.0
199 208
200 NAME: Trichlorfon 209 NAME: Trichlorfon
210 IONMODE: positive
201 FORMULA: C4H8O4Cl3P 211 FORMULA: C4H8O4Cl3P
202 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N 212 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N
203 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC 213 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC
204 RETENTIONTIME: 2.242985 214 RETENTIONTIME: 2.242985
205 PRECURSORMZ: 256.9308 215 PRECURSORMZ: 256.9308
210 97.00512 72293.0 220 97.00512 72293.0
211 112.99994 32292.0 221 112.99994 32292.0
212 127.01563 3150219.0 222 127.01563 3150219.0
213 223
214 NAME: Vamidothion 224 NAME: Vamidothion
225 IONMODE: positive
215 FORMULA: C8H18NO4PS2 226 FORMULA: C8H18NO4PS2
216 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N 227 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N
217 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O 228 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O
218 RETENTIONTIME: 2.914602 229 RETENTIONTIME: 2.914602
219 PRECURSORMZ: 288.0491 230 PRECURSORMZ: 288.0491
223 118.03215 464396.0 234 118.03215 464396.0
224 146.06366 10321336.0 235 146.06366 10321336.0
225 288.04907 1456244.0 236 288.04907 1456244.0
226 237
227 NAME: Aldicarb sulfone 238 NAME: Aldicarb sulfone
239 IONMODE: positive
228 FORMULA: C7H14N2O4S 240 FORMULA: C7H14N2O4S
229 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N 241 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N
230 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O 242 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O
231 RETENTIONTIME: 1.483623 243 RETENTIONTIME: 1.483623
232 PRECURSORMZ: 223.075 244 PRECURSORMZ: 223.075
242 208.9567 12192.0 254 208.9567 12192.0
243 223.06381 99297.0 255 223.06381 99297.0
244 223.07454 90546.0 256 223.07454 90546.0
245 257
246 NAME: Benfuracarb 258 NAME: Benfuracarb
259 IONMODE: positive
247 FORMULA: C20H30N2O5S 260 FORMULA: C20H30N2O5S
248 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N 261 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N
249 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C 262 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C
250 RETENTIONTIME: 7.163228 263 RETENTIONTIME: 7.163228
251 PRECURSORMZ: 411.1956 264 PRECURSORMZ: 411.1956
274 171.0114 23364.0 287 171.0114 23364.0
275 177.03709 172641.0 288 177.03709 172641.0
276 195.04765 2265269.0 289 195.04765 2265269.0
277 290
278 NAME: Butoxycarboxim 291 NAME: Butoxycarboxim
292 IONMODE: positive
279 FORMULA: C7H14N2O4S 293 FORMULA: C7H14N2O4S
280 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N 294 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N
281 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O 295 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O
282 RETENTIONTIME: 1.483623 296 RETENTIONTIME: 1.483623
283 PRECURSORMZ: 223.075 297 PRECURSORMZ: 223.075
293 208.9567 12192.0 307 208.9567 12192.0
294 223.06381 99297.0 308 223.06381 99297.0
295 223.07454 90546.0 309 223.07454 90546.0
296 310
297 NAME: Furathiocarb 311 NAME: Furathiocarb
312 IONMODE: positive
298 FORMULA: C18H26N2O5S 313 FORMULA: C18H26N2O5S
299 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N 314 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N
300 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C 315 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C
301 RETENTIONTIME: 7.19165 316 RETENTIONTIME: 7.19165
302 PRECURSORMZ: 383.1642 317 PRECURSORMZ: 383.1642
352 177.03709 3978125.0 367 177.03709 3978125.0
353 180.02414 213051.0 368 180.02414 213051.0
354 195.04765 11849349.0 369 195.04765 11849349.0
355 370
356 NAME: Methabenzthiazuron 371 NAME: Methabenzthiazuron
372 IONMODE: positive
357 FORMULA: C10H11N3OS 373 FORMULA: C10H11N3OS
358 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N 374 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N
359 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O 375 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O
360 RETENTIONTIME: 6.711947 376 RETENTIONTIME: 6.711947
361 PRECURSORMZ: 222.0702 377 PRECURSORMZ: 222.0702
370 150.02492 9399192.0 386 150.02492 9399192.0
371 163.03316 152108.0 387 163.03316 152108.0
372 165.04836 9598566.0 388 165.04836 9598566.0
373 389
374 NAME: Tebuthiuron 390 NAME: Tebuthiuron
391 IONMODE: positive
375 FORMULA: C9H16N4OS 392 FORMULA: C9H16N4OS
376 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N 393 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N
377 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O 394 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O
378 RETENTIONTIME: 4.241355 395 RETENTIONTIME: 4.241355
379 PRECURSORMZ: 229.1121 396 PRECURSORMZ: 229.1121
389 156.05936 1133851.0 406 156.05936 1133851.0
390 157.06721 6762498.0 407 157.06721 6762498.0
391 172.09081 12592908.0 408 172.09081 12592908.0
392 409
393 NAME: Thidiazuron 410 NAME: Thidiazuron
411 IONMODE: positive
394 FORMULA: C9H8N4OS 412 FORMULA: C9H8N4OS
395 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N 413 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N
396 SMILES: OC(=Nc1ccccc1)Nc1cnns1 414 SMILES: OC(=Nc1ccccc1)Nc1cnns1
397 RETENTIONTIME: 4.909884 415 RETENTIONTIME: 4.909884
398 PRECURSORMZ: 221.0497 416 PRECURSORMZ: 221.0497
406 105.04477 127605.0 424 105.04477 127605.0
407 120.04464 76344.0 425 120.04464 76344.0
408 127.99126 615346.0 426 127.99126 615346.0
409 427
410 NAME: Ethiofencarb 428 NAME: Ethiofencarb
429 IONMODE: positive
411 FORMULA: C11H15NO2S 430 FORMULA: C11H15NO2S
412 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N 431 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N
413 SMILES: CCSCc1ccccc1OC(=NC)O 432 SMILES: CCSCc1ccccc1OC(=NC)O
414 RETENTIONTIME: 5.074083 433 RETENTIONTIME: 5.074083
415 PRECURSORMZ: 226.09 434 PRECURSORMZ: 226.09
422 120.08101 4266.0 441 120.08101 4266.0
423 134.0966 5759.0 442 134.0966 5759.0
424 147.93529 2678.0 443 147.93529 2678.0
425 444
426 NAME: Methiocarb 445 NAME: Methiocarb
446 IONMODE: positive
427 FORMULA: C11H15NO2S 447 FORMULA: C11H15NO2S
428 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N 448 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N
429 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O 449 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O
430 RETENTIONTIME: 6.352629 450 RETENTIONTIME: 6.352629
431 PRECURSORMZ: 226.0899 451 PRECURSORMZ: 226.0899
436 122.07284 96691.0 456 122.07284 96691.0
437 169.06853 4882474.0 457 169.06853 4882474.0
438 226.08951 145633.0 458 226.08951 145633.0
439 459
440 NAME: Carbofuran 460 NAME: Carbofuran
461 IONMODE: positive
441 FORMULA: C12H15NO3 462 FORMULA: C12H15NO3
442 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N 463 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N
443 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O 464 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O
444 RETENTIONTIME: 4.14677 465 RETENTIONTIME: 4.14677
445 PRECURSORMZ: 222.1128 466 PRECURSORMZ: 222.1128
456 123.04434 10121862.0 477 123.04434 10121862.0
457 137.05997 448261.0 478 137.05997 448261.0
458 147.08089 104307.0 479 147.08089 104307.0
459 480
460 NAME: Chloroxuron 481 NAME: Chloroxuron
482 IONMODE: positive
461 FORMULA: C15H15N2O2Cl 483 FORMULA: C15H15N2O2Cl
462 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N 484 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N
463 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C 485 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C
464 RETENTIONTIME: 6.824893 486 RETENTIONTIME: 6.824893
465 PRECURSORMZ: 291.09 487 PRECURSORMZ: 291.09
500 233.15379 75598.0 522 233.15379 75598.0
501 246.03224 40845.0 523 246.03224 40845.0
502 249.18484 96150.0 524 249.18484 96150.0
503 525
504 NAME: Chlortoluron 526 NAME: Chlortoluron
527 IONMODE: positive
505 FORMULA: C10H13N2OCl 528 FORMULA: C10H13N2OCl
506 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N 529 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N
507 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C 530 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C
508 RETENTIONTIME: 5.193264 531 RETENTIONTIME: 5.193264
509 PRECURSORMZ: 213.0795 532 PRECURSORMZ: 213.0795
524 140.02612 1662428.0 547 140.02612 1662428.0
525 153.02165 91587.0 548 153.02165 91587.0
526 168.02145 83345.0 549 168.02145 83345.0
527 550
528 NAME: Cycluron 551 NAME: Cycluron
552 IONMODE: positive
529 FORMULA: C11H22N2O 553 FORMULA: C11H22N2O
530 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N 554 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
531 SMILES: CN(C(=NC1CCCCCCC1)O)C 555 SMILES: CN(C(=NC1CCCCCCC1)O)C
532 RETENTIONTIME: 5.00998 556 RETENTIONTIME: 5.00998
533 PRECURSORMZ: 199.1809 557 PRECURSORMZ: 199.1809
538 111.11694 18709.0 562 111.11694 18709.0
539 147.92079 14411.0 563 147.92079 14411.0
540 147.93768 15209.0 564 147.93768 15209.0
541 565
542 NAME: Diethofencarb 566 NAME: Diethofencarb
567 IONMODE: positive
543 FORMULA: C14H21NO4 568 FORMULA: C14H21NO4
544 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N 569 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N
545 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O 570 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O
546 RETENTIONTIME: 6.124817 571 RETENTIONTIME: 6.124817
547 PRECURSORMZ: 268.1547 572 PRECURSORMZ: 268.1547
555 208.09682 172166.0 580 208.09682 172166.0
556 226.10776 6612320.0 581 226.10776 6612320.0
557 268.15411 115526.0 582 268.15411 115526.0
558 583
559 NAME: Diflubenzuron 584 NAME: Diflubenzuron
585 IONMODE: positive
560 FORMULA: C14H9N2O2ClF2 586 FORMULA: C14H9N2O2ClF2
561 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N 587 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N
562 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O 588 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O
563 RETENTIONTIME: 6.959446 589 RETENTIONTIME: 6.959446
564 PRECURSORMZ: 311.0396 590 PRECURSORMZ: 311.0396
568 141.01498 340685.0 594 141.01498 340685.0
569 158.04167 9035608.0 595 158.04167 9035608.0
570 311.03952 2283440.0 596 311.03952 2283440.0
571 597
572 NAME: Diuron 598 NAME: Diuron
599 IONMODE: positive
573 FORMULA: C9H10N2OCl2 600 FORMULA: C9H10N2OCl2
574 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N 601 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
575 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C 602 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C
576 RETENTIONTIME: 5.711479 603 RETENTIONTIME: 5.711479
577 PRECURSORMZ: 233.0248 604 PRECURSORMZ: 233.0248
586 159.97182 940217.0 613 159.97182 940217.0
587 172.96721 73012.0 614 172.96721 73012.0
588 187.96654 38425.0 615 187.96654 38425.0
589 616
590 NAME: Dioxacarb 617 NAME: Dioxacarb
618 IONMODE: positive
591 FORMULA: C11H13NO4 619 FORMULA: C11H13NO4
592 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N 620 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N
593 SMILES: CN=C(Oc1ccccc1C1OCCO1)O 621 SMILES: CN=C(Oc1ccccc1C1OCCO1)O
594 RETENTIONTIME: 2.808769 622 RETENTIONTIME: 2.808769
595 PRECURSORMZ: 224.092 623 PRECURSORMZ: 224.092
602 167.07042 1519113.0 630 167.07042 1519113.0
603 208.95668 21966.0 631 208.95668 21966.0
604 224.12801 18664.0 632 224.12801 18664.0
605 633
606 NAME: Bendiocarb 634 NAME: Bendiocarb
635 IONMODE: positive
607 FORMULA: C11H13NO4 636 FORMULA: C11H13NO4
608 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N 637 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N
609 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O 638 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O
610 RETENTIONTIME: 4.036841 639 RETENTIONTIME: 4.036841
611 PRECURSORMZ: 224.092 640 PRECURSORMZ: 224.092
616 167.07042 2075283.0 645 167.07042 2075283.0
617 224.092 50305.0 646 224.092 50305.0
618 224.12801 22894.0 647 224.12801 22894.0
619 648
620 NAME: Fenobucarb 649 NAME: Fenobucarb
650 IONMODE: positive
621 FORMULA: C12H17NO2 651 FORMULA: C12H17NO2
622 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N 652 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N
623 SMILES: CCC(c1ccccc1OC(=NC)O)C 653 SMILES: CCC(c1ccccc1OC(=NC)O)C
624 RETENTIONTIME: 5.279047 654 RETENTIONTIME: 5.279047
625 PRECURSORMZ: 208.1339 655 PRECURSORMZ: 208.1339
631 152.07103 1283617.0 661 152.07103 1283617.0
632 208.13309 261671.0 662 208.13309 261671.0
633 208.15242 67196.0 663 208.15242 67196.0
634 664
635 NAME: Flufenoxuron 665 NAME: Flufenoxuron
666 IONMODE: positive
636 FORMULA: C21H11N2O3ClF6 667 FORMULA: C21H11N2O3ClF6
637 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N 668 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N
638 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O 669 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O
639 RETENTIONTIME: 7.258582 670 RETENTIONTIME: 7.258582
640 PRECURSORMZ: 489.044 671 PRECURSORMZ: 489.044
650 328.76389 301405.0 681 328.76389 301405.0
651 407.68225 401379.0 682 407.68225 401379.0
652 409.68002 103253.0 683 409.68002 103253.0
653 684
654 NAME: Fluometuron 685 NAME: Fluometuron
686 IONMODE: positive
655 FORMULA: C10H11N2OF3 687 FORMULA: C10H11N2OF3
656 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N 688 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N
657 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C 689 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C
658 RETENTIONTIME: 4.295248 690 RETENTIONTIME: 4.295248
659 PRECURSORMZ: 233.0903 691 PRECURSORMZ: 233.0903
674 178.04784 113811.0 706 178.04784 113811.0
675 188.03226 109696.0 707 188.03226 109696.0
676 192.06305 82452.0 708 192.06305 82452.0
677 709
678 NAME: Forchlorfenuron 710 NAME: Forchlorfenuron
711 IONMODE: positive
679 FORMULA: C12H10N3OCl 712 FORMULA: C12H10N3OCl
680 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N 713 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N
681 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl 714 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl
682 RETENTIONTIME: 6.068144 715 RETENTIONTIME: 6.068144
683 PRECURSORMZ: 248.0593 716 PRECURSORMZ: 248.0593
690 129.02182 20609304.0 723 129.02182 20609304.0
691 137.03458 1954463.0 724 137.03458 1954463.0
692 155.00107 2962225.0 725 155.00107 2962225.0
693 726
694 NAME: 3-Hydroxycarbofuran 727 NAME: 3-Hydroxycarbofuran
728 IONMODE: positive
695 FORMULA: C12H15NO4 729 FORMULA: C12H15NO4
696 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N 730 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N
697 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O 731 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O
698 RETENTIONTIME: 2.534817 732 RETENTIONTIME: 2.534817
699 PRECURSORMZ: 238.1075 733 PRECURSORMZ: 238.1075
707 208.95668 38515.0 741 208.95668 38515.0
708 220.09669 446913.0 742 220.09669 446913.0
709 238.10802 398788.0 743 238.10802 398788.0
710 744
711 NAME: Indoxacarb 745 NAME: Indoxacarb
746 IONMODE: positive
712 FORMULA: C22H17N3O7ClF3 747 FORMULA: C22H17N3O7ClF3
713 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N 748 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N
714 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F 749 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
715 RETENTIONTIME: 7.23968 750 RETENTIONTIME: 7.23968
716 PRECURSORMZ: 528.0795 751 PRECURSORMZ: 528.0795
755 218.04218 536326.0 790 218.04218 536326.0
756 219.03232 457473.0 791 219.03232 457473.0
757 223.01553 87858.0 792 223.01553 87858.0
758 793
759 NAME: Iprovalicarb 794 NAME: Iprovalicarb
795 IONMODE: positive
760 FORMULA: C18H28N2O3 796 FORMULA: C18H28N2O3
761 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N 797 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
762 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C 798 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C
763 RETENTIONTIME: 6.291288 799 RETENTIONTIME: 6.291288
764 PRECURSORMZ: 321.218 800 PRECURSORMZ: 321.218
774 186.11298 1809182.0 810 186.11298 1809182.0
775 203.13902 3619220.0 811 203.13902 3619220.0
776 321.21719 658523.0 812 321.21719 658523.0
777 813
778 NAME: Isoproturon 814 NAME: Isoproturon
815 IONMODE: positive
779 FORMULA: C12H18N2O 816 FORMULA: C12H18N2O
780 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N 817 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
781 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C 818 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C
782 RETENTIONTIME: 4.953308 819 RETENTIONTIME: 4.953308
783 PRECURSORMZ: 207.1494 820 PRECURSORMZ: 207.1494
811 147.0919 129941.0 848 147.0919 129941.0
812 162.09142 42617.0 849 162.09142 42617.0
813 165.10242 74899.0 850 165.10242 74899.0
814 851
815 NAME: Linuron 852 NAME: Linuron
853 IONMODE: positive
816 FORMULA: C9H10N2O2Cl2 854 FORMULA: C9H10N2O2Cl2
817 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N 855 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
818 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C 856 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C
819 RETENTIONTIME: 6.428301 857 RETENTIONTIME: 6.428301
820 PRECURSORMZ: 249.0202 858 PRECURSORMZ: 249.0202
838 181.0168 457538.0 876 181.0168 457538.0
839 182.02429 570846.0 877 182.02429 570846.0
840 216.99352 182540.0 878 216.99352 182540.0
841 879
842 NAME: Metobromuron 880 NAME: Metobromuron
881 IONMODE: positive
843 FORMULA: C9H11N2O2Br 882 FORMULA: C9H11N2O2Br
844 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N 883 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
845 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C 884 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C
846 RETENTIONTIME: 5.555997 885 RETENTIONTIME: 5.555997
847 PRECURSORMZ: 259.0081 886 PRECURSORMZ: 259.0081
863 170.96819 2866842.0 902 170.96819 2866842.0
864 183.97557 70285.0 903 183.97557 70285.0
865 226.98169 352678.0 904 226.98169 352678.0
866 905
867 NAME: Monolinuron 906 NAME: Monolinuron
907 IONMODE: positive
868 FORMULA: C9H11N2O2Cl 908 FORMULA: C9H11N2O2Cl
869 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N 909 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
870 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C 910 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C
871 RETENTIONTIME: 5.086284 911 RETENTIONTIME: 5.086284
872 PRECURSORMZ: 215.0587 912 PRECURSORMZ: 215.0587
889 147.05553 873918.0 929 147.05553 873918.0
890 148.06332 1071865.0 930 148.06332 1071865.0
891 183.03224 448058.0 931 183.03224 448058.0
892 932
893 NAME: Fenoxycarb 933 NAME: Fenoxycarb
934 IONMODE: positive
894 FORMULA: C17H19NO4 935 FORMULA: C17H19NO4
895 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N 936 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
896 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O 937 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O
897 RETENTIONTIME: 7.007411 938 RETENTIONTIME: 7.007411
898 PRECURSORMZ: 302.1392 939 PRECURSORMZ: 302.1392
903 116.07085 7870537.0 944 116.07085 7870537.0
904 256.09756 3714539.0 945 256.09756 3714539.0
905 302.13986 4154405.0 946 302.13986 4154405.0
906 947
907 NAME: Fenuron 948 NAME: Fenuron
949 IONMODE: positive
908 FORMULA: C9H12N2O 950 FORMULA: C9H12N2O
909 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N 951 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
910 SMILES: CN(C(=Nc1ccccc1)O)C 952 SMILES: CN(C(=Nc1ccccc1)O)C
911 RETENTIONTIME: 2.603287 953 RETENTIONTIME: 2.603287
912 PRECURSORMZ: 165.1026 954 PRECURSORMZ: 165.1026
921 104.96333 7099.0 963 104.96333 7099.0
922 105.04477 391134.0 964 105.04477 391134.0
923 120.04464 89335.0 965 120.04464 89335.0
924 966
925 NAME: Isoprocarb 967 NAME: Isoprocarb
968 IONMODE: positive
926 FORMULA: C11H15NO2 969 FORMULA: C11H15NO2
927 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N 970 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
928 SMILES: CN=C(Oc1ccccc1C(C)C)O 971 SMILES: CN=C(Oc1ccccc1C(C)C)O
929 RETENTIONTIME: 4.552796 972 RETENTIONTIME: 4.552796
930 PRECURSORMZ: 194.1181 973 PRECURSORMZ: 194.1181
935 137.09615 1255669.0 978 137.09615 1255669.0
936 152.07103 658146.0 979 152.07103 658146.0
937 194.11743 393850.0 980 194.11743 393850.0
938 981
939 NAME: Pyraclostrobin 982 NAME: Pyraclostrobin
983 IONMODE: positive
940 FORMULA: C19H18N3O4Cl 984 FORMULA: C19H18N3O4Cl
941 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N 985 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
942 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC 986 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC
943 RETENTIONTIME: 7.421628 987 RETENTIONTIME: 7.421628
944 PRECURSORMZ: 388.107 988 PRECURSORMZ: 388.107
956 356.08151 2958382.0 1000 356.08151 2958382.0
957 357.08807 317478.0 1001 357.08807 317478.0
958 388.10776 6476718.0 1002 388.10776 6476718.0
959 1003
960 NAME: Siduron_1 1004 NAME: Siduron_1
1005 IONMODE: positive
961 FORMULA: C14H20N2O 1006 FORMULA: C14H20N2O
962 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N 1007 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
963 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O 1008 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
964 RETENTIONTIME: 5.922128 1009 RETENTIONTIME: 5.922128
965 PRECURSORMZ: 233.1652 1010 PRECURSORMZ: 233.1652
974 105.04506 1075144.0 1019 105.04506 1075144.0
975 120.04464 1602718.0 1020 120.04464 1602718.0
976 137.07117 1760320.0 1021 137.07117 1760320.0
977 1022
978 NAME: Siduron_2 1023 NAME: Siduron_2
1024 IONMODE: positive
979 FORMULA: C14H20N2O 1025 FORMULA: C14H20N2O
980 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N 1026 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
981 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O 1027 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
982 RETENTIONTIME: 6.048454 1028 RETENTIONTIME: 6.048454
983 PRECURSORMZ: 233.1654 1029 PRECURSORMZ: 233.1654
992 105.04477 331107.0 1038 105.04477 331107.0
993 120.04464 414038.0 1039 120.04464 414038.0
994 137.07117 494688.0 1040 137.07117 494688.0
995 1041
996 NAME: Thiobencarb 1042 NAME: Thiobencarb
1043 IONMODE: positive
997 FORMULA: C12H16NOClS 1044 FORMULA: C12H16NOClS
998 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N 1045 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
999 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC 1046 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC
1000 RETENTIONTIME: 7.094566 1047 RETENTIONTIME: 7.094566
1001 PRECURSORMZ: 258.0717 1048 PRECURSORMZ: 258.0717
1005 89.03883 1114558.0 1052 89.03883 1114558.0
1006 98.99973 585236.0 1053 98.99973 585236.0
1007 125.01533 28327212.0 1054 125.01533 28327212.0
1008 1055
1009 NAME: Triflumuron 1056 NAME: Triflumuron
1057 IONMODE: positive
1010 FORMULA: C15H10N2O3ClF3 1058 FORMULA: C15H10N2O3ClF3
1011 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N 1059 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N
1012 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F 1060 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F
1013 RETENTIONTIME: 6.978649 1061 RETENTIONTIME: 6.978649
1014 PRECURSORMZ: 359.0412 1062 PRECURSORMZ: 359.0412
1022 139.00452 474854.0 1070 139.00452 474854.0
1023 156.02116 3353307.0 1071 156.02116 3353307.0
1024 178.04784 200379.0 1072 178.04784 200379.0
1025 1073
1026 NAME: Propham 1074 NAME: Propham
1075 IONMODE: positive
1027 FORMULA: C10H13NO2 1076 FORMULA: C10H13NO2
1028 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N 1077 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
1029 SMILES: CC(OC(=Nc1ccccc1)O)C 1078 SMILES: CC(OC(=Nc1ccccc1)O)C
1030 RETENTIONTIME: 6.134321 1079 RETENTIONTIME: 6.134321
1031 PRECURSORMZ: 180.1022 1080 PRECURSORMZ: 180.1022
1045 124.03935 187312.0 1094 124.03935 187312.0
1046 134.0237 14609.0 1095 134.0237 14609.0
1047 152.0343 3135.0 1096 152.0343 3135.0
1048 1097
1049 NAME: Propoxur 1098 NAME: Propoxur
1099 IONMODE: positive
1050 FORMULA: C11H15NO3 1100 FORMULA: C11H15NO3
1051 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N 1101 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
1052 SMILES: CN=C(Oc1ccccc1OC(C)C)O 1102 SMILES: CN=C(Oc1ccccc1OC(C)C)O
1053 RETENTIONTIME: 3.894733 1103 RETENTIONTIME: 3.894733
1054 PRECURSORMZ: 210.1129 1104 PRECURSORMZ: 210.1129
1061 168.06589 785437.0 1111 168.06589 785437.0
1062 199.97662 26875.0 1112 199.97662 26875.0
1063 210.11256 38244.0 1113 210.11256 38244.0
1064 1114
1065 NAME: Neburon 1115 NAME: Neburon
1116 IONMODE: positive
1066 FORMULA: C12H16N2OCl2 1117 FORMULA: C12H16N2OCl2
1067 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N 1118 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N
1068 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C 1119 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C
1069 RETENTIONTIME: 6.834164 1120 RETENTIONTIME: 6.834164
1070 PRECURSORMZ: 275.0721 1121 PRECURSORMZ: 275.0721
1083 172.9666 45053.0 1134 172.9666 45053.0
1084 173.50816 20256.0 1135 173.50816 20256.0
1085 187.96652 106090.0 1136 187.96652 106090.0
1086 1137
1087 NAME: Pirimicarb 1138 NAME: Pirimicarb
1139 IONMODE: positive
1088 FORMULA: C11H18N4O2 1140 FORMULA: C11H18N4O2
1089 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N 1141 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
1090 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C 1142 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
1091 RETENTIONTIME: 2.886323 1143 RETENTIONTIME: 2.886323
1092 PRECURSORMZ: 239.1508 1144 PRECURSORMZ: 239.1508
1109 180.11363 53047.0 1161 180.11363 53047.0
1110 182.12914 1046026.0 1162 182.12914 1046026.0
1111 195.16029 68565.0 1163 195.16029 68565.0
1112 1164
1113 NAME: Promecarb 1165 NAME: Promecarb
1166 IONMODE: positive
1114 FORMULA: C12H17NO2 1167 FORMULA: C12H17NO2
1115 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N 1168 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
1116 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O 1169 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O
1117 RETENTIONTIME: 5.65392 1170 RETENTIONTIME: 5.65392
1118 PRECURSORMZ: 208.1339 1171 PRECURSORMZ: 208.1339
1122 109.0651 1911986.0 1175 109.0651 1911986.0
1123 151.1118 3833728.0 1176 151.1118 3833728.0
1124 208.13309 173991.0 1177 208.13309 173991.0
1125 1178
1126 NAME: Ametryn 1179 NAME: Ametryn
1180 IONMODE: positive
1127 FORMULA: C9H17N5S 1181 FORMULA: C9H17N5S
1128 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N 1182 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
1129 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 1183 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
1130 RETENTIONTIME: 4.38309 1184 RETENTIONTIME: 4.38309
1131 PRECURSORMZ: 228.1282 1185 PRECURSORMZ: 228.1282
1147 184.06534 61690.0 1201 184.06534 61690.0
1148 186.08095 4152044.0 1202 186.08095 4152044.0
1149 228.12772 94575.0 1203 228.12772 94575.0
1150 1204
1151 NAME: Azoxystrobin 1205 NAME: Azoxystrobin
1206 IONMODE: positive
1152 FORMULA: C22H17N3O5 1207 FORMULA: C22H17N3O5
1153 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N 1208 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N
1154 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC 1209 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC
1155 RETENTIONTIME: 6.9269 1210 RETENTIONTIME: 6.9269
1156 PRECURSORMZ: 404.1249 1211 PRECURSORMZ: 404.1249
1203 329.08087 15964814.0 1258 329.08087 15964814.0
1204 344.10461 2718360.0 1259 344.10461 2718360.0
1205 372.10004 167044.0 1260 372.10004 167044.0
1206 1261
1207 NAME: Benalaxyl 1262 NAME: Benalaxyl
1263 IONMODE: positive
1208 FORMULA: C20H23NO3 1264 FORMULA: C20H23NO3
1209 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N 1265 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N
1210 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C 1266 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C
1211 RETENTIONTIME: 7.079875 1267 RETENTIONTIME: 7.079875
1212 PRECURSORMZ: 326.1756 1268 PRECURSORMZ: 326.1756
1221 122.09673 517871.0 1277 122.09673 517871.0
1222 133.08878 546024.0 1278 133.08878 546024.0
1223 148.11217 23207426.0 1279 148.11217 23207426.0
1224 1280
1225 NAME: Boscalid 1281 NAME: Boscalid
1282 IONMODE: positive
1226 FORMULA: C18H12N2OCl2 1283 FORMULA: C18H12N2OCl2
1227 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N 1284 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
1228 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O 1285 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O
1229 RETENTIONTIME: 6.811709 1286 RETENTIONTIME: 6.811709
1230 PRECURSORMZ: 343.0408 1287 PRECURSORMZ: 343.0408
1258 305.04871 107573.0 1315 305.04871 107573.0
1259 306.05643 72921.0 1316 306.05643 72921.0
1260 307.06335 2958245.0 1317 307.06335 2958245.0
1261 1318
1262 NAME: Carbetamide 1319 NAME: Carbetamide
1320 IONMODE: positive
1263 FORMULA: C12H16N2O3 1321 FORMULA: C12H16N2O3
1264 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N 1322 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N
1265 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O 1323 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O
1266 RETENTIONTIME: 3.923062 1324 RETENTIONTIME: 3.923062
1267 PRECURSORMZ: 237.1238 1325 PRECURSORMZ: 237.1238
1280 237.07993 102575.0 1338 237.07993 102575.0
1281 237.09068 314588.0 1339 237.09068 314588.0
1282 237.12401 187935.0 1340 237.12401 187935.0
1283 1341
1284 NAME: Carfentrazone ethyl 1342 NAME: Carfentrazone ethyl
1343 IONMODE: positive
1285 FORMULA: C15H14N3O3Cl2F3 1344 FORMULA: C15H14N3O3Cl2F3
1286 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N 1345 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N
1287 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl 1346 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl
1288 RETENTIONTIME: 6.898515 1347 RETENTIONTIME: 6.898515
1289 PRECURSORMZ: 412.045 1348 PRECURSORMZ: 412.045
1365 320.04153 58056.0 1424 320.04153 58056.0
1366 338.00775 410316.0 1425 338.00775 410316.0
1367 345.99677 2618042.0 1426 345.99677 2618042.0
1368 1427
1369 NAME: Chlorantraniliprole 1428 NAME: Chlorantraniliprole
1429 IONMODE: positive
1370 FORMULA: C18H14N5O2BrCl2 1430 FORMULA: C18H14N5O2BrCl2
1371 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N 1431 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N
1372 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O 1432 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O
1373 RETENTIONTIME: 6.589343 1433 RETENTIONTIME: 6.589343
1374 PRECURSORMZ: 481.9785 1434 PRECURSORMZ: 481.9785
1379 450.93774 4907420.0 1439 450.93774 4907420.0
1380 463.96796 71876.0 1440 463.96796 71876.0
1381 481.97949 1501231.0 1441 481.97949 1501231.0
1382 1442
1383 NAME: Clofentezine 1443 NAME: Clofentezine
1444 IONMODE: positive
1384 FORMULA: C14H8N4Cl2 1445 FORMULA: C14H8N4Cl2
1385 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N 1446 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N
1386 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl 1447 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl
1387 RETENTIONTIME: 7.397017 1448 RETENTIONTIME: 7.397017
1388 PRECURSORMZ: 303.0207 1449 PRECURSORMZ: 303.0207
1394 120.04463 495630.0 1455 120.04463 495630.0
1395 130.04021 2783936.0 1456 130.04021 2783936.0
1396 138.01057 2494447.0 1457 138.01057 2494447.0
1397 1458
1398 NAME: Cyprodinil 1459 NAME: Cyprodinil
1460 IONMODE: positive
1399 FORMULA: C14H15N3 1461 FORMULA: C14H15N3
1400 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N 1462 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N
1401 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1 1463 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1
1402 RETENTIONTIME: 6.669806 1464 RETENTIONTIME: 6.669806
1403 PRECURSORMZ: 226.1346 1465 PRECURSORMZ: 226.1346
1472 211.11086 699261.0 1534 211.11086 699261.0
1473 224.1181 912227.0 1535 224.1181 912227.0
1474 226.13422 16374867.0 1536 226.13422 16374867.0
1475 1537
1476 NAME: Cyromazine_1 1538 NAME: Cyromazine_1
1539 IONMODE: positive
1477 FORMULA: C6H10N6 1540 FORMULA: C6H10N6
1478 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N 1541 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
1479 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 1542 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
1480 RETENTIONTIME: 0.7250975 1543 RETENTIONTIME: 0.7250975
1481 PRECURSORMZ: 167.1043 1544 PRECURSORMZ: 167.1043
1491 150.0777 7345.0 1554 150.0777 7345.0
1492 151.07292 35146.0 1555 151.07292 35146.0
1493 167.10403 54669.0 1556 167.10403 54669.0
1494 1557
1495 NAME: Cyromazine_2 1558 NAME: Cyromazine_2
1559 IONMODE: positive
1496 FORMULA: C6H10N6 1560 FORMULA: C6H10N6
1497 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N 1561 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
1498 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1 1562 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
1499 RETENTIONTIME: 1.057777 1563 RETENTIONTIME: 1.057777
1500 PRECURSORMZ: 167.1043 1564 PRECURSORMZ: 167.1043
1513 151.07292 16833.0 1577 151.07292 16833.0
1514 155.01868 3272.0 1578 155.01868 3272.0
1515 167.10403 33800.0 1579 167.10403 33800.0
1516 1580
1517 NAME: Dimoxystrobin 1581 NAME: Dimoxystrobin
1582 IONMODE: positive
1518 FORMULA: C19H22N2O3 1583 FORMULA: C19H22N2O3
1519 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N 1584 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N
1520 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O 1585 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O
1521 RETENTIONTIME: 7.042906 1586 RETENTIONTIME: 7.042906
1522 PRECURSORMZ: 327.1716 1587 PRECURSORMZ: 327.1716
1548 222.09152 46935.0 1613 222.09152 46935.0
1549 222.10396 66419.0 1614 222.10396 66419.0
1550 223.09956 719508.0 1615 223.09956 719508.0
1551 1616
1552 NAME: Fenazaquin 1617 NAME: Fenazaquin
1618 IONMODE: positive
1553 FORMULA: C20H22N2O 1619 FORMULA: C20H22N2O
1554 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N 1620 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
1555 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C 1621 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C
1556 RETENTIONTIME: 7.977267 1622 RETENTIONTIME: 7.977267
1557 PRECURSORMZ: 307.1813 1623 PRECURSORMZ: 307.1813
1572 146.10915 4833104.0 1638 146.10915 4833104.0
1573 147.05551 4215618.0 1639 147.05551 4215618.0
1574 161.13255 3701806.0 1640 161.13255 3701806.0
1575 1641
1576 NAME: Fenhexamid 1642 NAME: Fenhexamid
1643 IONMODE: positive
1577 FORMULA: C14H17NO2Cl2 1644 FORMULA: C14H17NO2Cl2
1578 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N 1645 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
1579 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1 1646 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1
1580 RETENTIONTIME: 6.679342 1647 RETENTIONTIME: 6.679342
1581 PRECURSORMZ: 302.0717 1648 PRECURSORMZ: 302.0717
1588 143.0134 1124724.0 1655 143.0134 1124724.0
1589 177.98218 162637.0 1656 177.98218 162637.0
1590 302.0708 49250.0 1657 302.0708 49250.0
1591 1658
1592 NAME: Fenpyroximate 1659 NAME: Fenpyroximate
1660 IONMODE: positive
1593 FORMULA: C24H27N3O4 1661 FORMULA: C24H27N3O4
1594 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N 1662 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N
1595 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C 1663 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C
1596 RETENTIONTIME: 7.825895 1664 RETENTIONTIME: 7.825895
1597 PRECURSORMZ: 422.2081 1665 PRECURSORMZ: 422.2081
1688 230.09335 285190.0 1756 230.09335 285190.0
1689 231.10078 772223.0 1757 231.10078 772223.0
1690 366.14682 271014.0 1758 366.14682 271014.0
1691 1759
1692 NAME: Flonicamid 1760 NAME: Flonicamid
1761 IONMODE: positive
1693 FORMULA: C9H6N3OF3 1762 FORMULA: C9H6N3OF3
1694 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N 1763 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N
1695 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O 1764 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O
1696 RETENTIONTIME: 1.603478 1765 RETENTIONTIME: 1.603478
1697 PRECURSORMZ: 230.054 1766 PRECURSORMZ: 230.054
1720 176.0318 1685318.0 1789 176.0318 1685318.0
1721 183.0369 1014810.0 1790 183.0369 1014810.0
1722 203.04269 761411.0 1791 203.04269 761411.0
1723 1792
1724 NAME: Fluoxastrobin 1793 NAME: Fluoxastrobin
1794 IONMODE: positive
1725 FORMULA: C21H16N4O5ClF 1795 FORMULA: C21H16N4O5ClF
1726 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N 1796 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N
1727 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1 1797 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1
1728 RETENTIONTIME: 7.061409 1798 RETENTIONTIME: 7.061409
1729 PRECURSORMZ: 459.0882 1799 PRECURSORMZ: 459.0882
1815 342.04449 118004.0 1885 342.04449 118004.0
1816 367.03973 216560.0 1886 367.03973 216560.0
1817 383.03424 104628.0 1887 383.03424 104628.0
1818 1888
1819 NAME: Flutolanil 1889 NAME: Flutolanil
1890 IONMODE: positive
1820 FORMULA: C17H16NO2F3 1891 FORMULA: C17H16NO2F3
1821 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N 1892 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
1822 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C 1893 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C
1823 RETENTIONTIME: 6.193638 1894 RETENTIONTIME: 6.193638
1824 PRECURSORMZ: 324.1214 1895 PRECURSORMZ: 324.1214
1837 242.05533 161728.0 1908 242.05533 161728.0
1838 242.06139 15929322.0 1909 242.06139 15929322.0
1839 262.06796 878870.0 1910 262.06796 878870.0
1840 1911
1841 NAME: Furalaxyl 1912 NAME: Furalaxyl
1913 IONMODE: positive
1842 FORMULA: C17H19NO4 1914 FORMULA: C17H19NO4
1843 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N 1915 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N
1844 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C 1916 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C
1845 RETENTIONTIME: 6.193638 1917 RETENTIONTIME: 6.193638
1846 PRECURSORMZ: 302.1392 1918 PRECURSORMZ: 302.1392
1848 INSTRUMENTTYPE: LC-ESI-Orbitrap 1920 INSTRUMENTTYPE: LC-ESI-Orbitrap
1849 NUM PEAKS: 1 1921 NUM PEAKS: 1
1850 95.01299 22120298.0 1922 95.01299 22120298.0
1851 1923
1852 NAME: Imazalil 1924 NAME: Imazalil
1925 IONMODE: positive
1853 FORMULA: C14H14N2OCl2 1926 FORMULA: C14H14N2OCl2
1854 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N 1927 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N
1855 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1 1928 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
1856 RETENTIONTIME: 3.913752 1929 RETENTIONTIME: 3.913752
1857 PRECURSORMZ: 297.0566 1930 PRECURSORMZ: 297.0566
1875 186.97179 139839.0 1948 186.97179 139839.0
1876 200.98682 142186.0 1949 200.98682 142186.0
1877 255.00883 411510.0 1950 255.00883 411510.0
1878 1951
1879 NAME: Imidacloprid 1952 NAME: Imidacloprid
1953 IONMODE: positive
1880 FORMULA: C9H10N5O2Cl 1954 FORMULA: C9H10N5O2Cl
1881 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N 1955 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N
1882 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl 1956 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl
1883 RETENTIONTIME: 3.079668 1957 RETENTIONTIME: 3.079668
1884 PRECURSORMZ: 256.0602 1958 PRECURSORMZ: 256.0602
1921 208.05171 91411.0 1995 208.05171 91411.0
1922 209.05724 1316587.0 1996 209.05724 1316587.0
1923 209.05885 3531093.0 1997 209.05885 3531093.0
1924 1998
1925 NAME: Mandipropamid 1999 NAME: Mandipropamid
2000 IONMODE: positive
1926 FORMULA: C23H22NO4Cl 2001 FORMULA: C23H22NO4Cl
1927 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N 2002 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N
1928 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O 2003 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O
1929 RETENTIONTIME: 6.964275 2004 RETENTIONTIME: 6.964275
1930 PRECURSORMZ: 412.1314 2005 PRECURSORMZ: 412.1314
1936 356.10495 7175862.0 2011 356.10495 7175862.0
1937 412.04471 215694.0 2012 412.04471 215694.0
1938 412.13226 2828841.0 2013 412.13226 2828841.0
1939 2014
1940 NAME: Mepanipyrim 2015 NAME: Mepanipyrim
2016 IONMODE: positive
1941 FORMULA: C14H13N3 2017 FORMULA: C14H13N3
1942 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N 2018 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N
1943 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C 2019 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C
1944 RETENTIONTIME: 6.936112 2020 RETENTIONTIME: 6.936112
1945 PRECURSORMZ: 224.1185 2021 PRECURSORMZ: 224.1185
2048 222.10307 5281894.0 2124 222.10307 5281894.0
2049 223.11121 2054946.0 2125 223.11121 2054946.0
2050 224.119 13923746.0 2126 224.119 13923746.0
2051 2127
2052 NAME: Dinotefuran 2128 NAME: Dinotefuran
2129 IONMODE: positive
2053 FORMULA: C7H14N4O3 2130 FORMULA: C7H14N4O3
2054 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N 2131 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N
2055 SMILES: CN=C(NN(=O)=O)NCC1COCC1 2132 SMILES: CN=C(NN(=O)=O)NCC1COCC1
2056 RETENTIONTIME: 1.502809 2133 RETENTIONTIME: 1.502809
2057 PRECURSORMZ: 203.1141 2134 PRECURSORMZ: 203.1141
2071 157.12112 345152.0 2148 157.12112 345152.0
2072 173.11627 46987.0 2149 173.11627 46987.0
2073 203.11415 399504.0 2150 203.11415 399504.0
2074 2151
2075 NAME: Metaflumizone 2152 NAME: Metaflumizone
2153 IONMODE: positive
2076 FORMULA: C24H16N4O2F6 2154 FORMULA: C24H16N4O2F6
2077 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N 2155 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
2078 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F 2156 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F
2079 RETENTIONTIME: 7.19479 2157 RETENTIONTIME: 7.19479
2080 PRECURSORMZ: 507.1251 2158 PRECURSORMZ: 507.1251
2114 287.07932 2154516.0 2192 287.07932 2154516.0
2115 288.0871 575359.0 2193 288.0871 575359.0
2116 330.08609 207585.0 2194 330.08609 207585.0
2117 2195
2118 NAME: Metalaxyl 2196 NAME: Metalaxyl
2197 IONMODE: positive
2119 FORMULA: C15H21NO4 2198 FORMULA: C15H21NO4
2120 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N 2199 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N
2121 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C 2200 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
2122 RETENTIONTIME: 5.550616 2201 RETENTIONTIME: 5.550616
2123 PRECURSORMZ: 280.1547 2202 PRECURSORMZ: 280.1547
2148 164.10716 139534.0 2227 164.10716 139534.0
2149 192.13879 614235.0 2228 192.13879 614235.0
2150 220.13348 136200.0 2229 220.13348 136200.0
2151 2230
2152 NAME: Myclobutanil 2231 NAME: Myclobutanil
2232 IONMODE: positive
2153 FORMULA: C15H17N4Cl 2233 FORMULA: C15H17N4Cl
2154 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N 2234 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N
2155 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N 2235 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
2156 RETENTIONTIME: 6.259462 2236 RETENTIONTIME: 6.259462
2157 PRECURSORMZ: 289.1221 2237 PRECURSORMZ: 289.1221
2176 168.09337 31175.0 2256 168.09337 31175.0
2177 175.03131 41390.0 2257 175.03131 41390.0
2178 178.04208 93247.0 2258 178.04208 93247.0
2179 2259
2180 NAME: Oxadixyl 2260 NAME: Oxadixyl
2261 IONMODE: positive
2181 FORMULA: C14H18N2O4 2262 FORMULA: C14H18N2O4
2182 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N 2263 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
2183 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O 2264 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
2184 RETENTIONTIME: 4.402048 2265 RETENTIONTIME: 4.402048
2185 PRECURSORMZ: 279.1344 2266 PRECURSORMZ: 279.1344
2193 192.10234 94587.0 2274 192.10234 94587.0
2194 219.11325 4470994.0 2275 219.11325 4470994.0
2195 279.13367 216370.0 2276 279.13367 216370.0
2196 2277
2197 NAME: Prochloraz 2278 NAME: Prochloraz
2279 IONMODE: positive
2198 FORMULA: C15H16N3O2Cl3 2280 FORMULA: C15H16N3O2Cl3
2199 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N 2281 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N
2200 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl 2282 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl
2201 RETENTIONTIME: 7.089308 2283 RETENTIONTIME: 7.089308
2202 PRECURSORMZ: 376.0388 2284 PRECURSORMZ: 376.0388
2206 265.95453 2776909.0 2288 265.95453 2776909.0
2207 308.00125 53942956.0 2289 308.00125 53942956.0
2208 376.03964 3704219.0 2290 376.03964 3704219.0
2209 2291
2210 NAME: Prometon_1 2292 NAME: Prometon_1
2293 IONMODE: positive
2211 FORMULA: C10H19N5O 2294 FORMULA: C10H19N5O
2212 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N 2295 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
2213 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 2296 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
2214 RETENTIONTIME: 3.185351 2297 RETENTIONTIME: 3.185351
2215 PRECURSORMZ: 226.1667 2298 PRECURSORMZ: 226.1667
2232 168.0881 278497.0 2315 168.0881 278497.0
2233 170.10394 12296676.0 2316 170.10394 12296676.0
2234 184.11964 1858746.0 2317 184.11964 1858746.0
2235 2318
2236 NAME: Prometon_2 2319 NAME: Prometon_2
2320 IONMODE: positive
2237 FORMULA: C10H19N5O 2321 FORMULA: C10H19N5O
2238 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N 2322 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
2239 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 2323 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
2240 RETENTIONTIME: 3.288845 2324 RETENTIONTIME: 3.288845
2241 PRECURSORMZ: 226.1663 2325 PRECURSORMZ: 226.1663
2264 170.10394 12923365.0 2348 170.10394 12923365.0
2265 184.11964 137608.0 2349 184.11964 137608.0
2266 226.16615 243943.0 2350 226.16615 243943.0
2267 2351
2268 NAME: Pymetrozine 2352 NAME: Pymetrozine
2353 IONMODE: positive
2269 FORMULA: C10H11N5O 2354 FORMULA: C10H11N5O
2270 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N 2355 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N
2271 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O 2356 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O
2272 RETENTIONTIME: 1.373368 2357 RETENTIONTIME: 1.373368
2273 PRECURSORMZ: 218.1044 2358 PRECURSORMZ: 218.1044
2276 NUM PEAKS: 2 2361 NUM PEAKS: 2
2277 96.04461 383408.0 2362 96.04461 383408.0
2278 105.04506 15166273.0 2363 105.04506 15166273.0
2279 2364
2280 NAME: Pyracarbolid 2365 NAME: Pyracarbolid
2366 IONMODE: positive
2281 FORMULA: C13H15NO2 2367 FORMULA: C13H15NO2
2282 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N 2368 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
2283 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1 2369 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1
2284 RETENTIONTIME: 4.72542 2370 RETENTIONTIME: 4.72542
2285 PRECURSORMZ: 218.1182 2371 PRECURSORMZ: 218.1182
2294 107.04936 2653095.0 2380 107.04936 2653095.0
2295 115.03907 949155.0 2381 115.03907 949155.0
2296 125.05998 14590636.0 2382 125.05998 14590636.0
2297 2383
2298 NAME: Pyrimethanil 2384 NAME: Pyrimethanil
2385 IONMODE: positive
2299 FORMULA: C12H13N3 2386 FORMULA: C12H13N3
2300 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N 2387 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
2301 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1 2388 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1
2302 RETENTIONTIME: 5.598423 2389 RETENTIONTIME: 5.598423
2303 PRECURSORMZ: 200.1186 2390 PRECURSORMZ: 200.1186
2347 198.10313 499158.0 2434 198.10313 499158.0
2348 199.11044 154902.0 2435 199.11044 154902.0
2349 200.11862 13352280.0 2436 200.11862 13352280.0
2350 2437
2351 NAME: Pyriproxyfen 2438 NAME: Pyriproxyfen
2439 IONMODE: positive
2352 FORMULA: C20H19NO3 2440 FORMULA: C20H19NO3
2353 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N 2441 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N
2354 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1 2442 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1
2355 RETENTIONTIME: 7.483148 2443 RETENTIONTIME: 7.483148
2356 PRECURSORMZ: 322.1441 2444 PRECURSORMZ: 322.1441
2378 186.06801 602621.0 2466 186.06801 602621.0
2379 194.07315 653455.0 2467 194.07315 653455.0
2380 199.07576 804230.0 2468 199.07576 804230.0
2381 2469
2382 NAME: Mepronil 2470 NAME: Mepronil
2471 IONMODE: positive
2383 FORMULA: C17H19NO2 2472 FORMULA: C17H19NO2
2384 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N 2473 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
2385 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C 2474 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C
2386 RETENTIONTIME: 6.63015 2475 RETENTIONTIME: 6.63015
2387 PRECURSORMZ: 270.1492 2476 PRECURSORMZ: 270.1492
2396 119.04979 16405699.0 2485 119.04979 16405699.0
2397 119.0592 353581.0 2486 119.0592 353581.0
2398 136.03949 166339.0 2487 136.03949 166339.0
2399 2488
2400 NAME: Spiroxamine_2 2489 NAME: Spiroxamine_2
2490 IONMODE: positive
2401 FORMULA: C18H35NO2 2491 FORMULA: C18H35NO2
2402 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N 2492 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
2403 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC 2493 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
2404 RETENTIONTIME: 4.628222 2494 RETENTIONTIME: 4.628222
2405 PRECURSORMZ: 298.2747 2495 PRECURSORMZ: 298.2747
2410 102.09142 415934.0 2500 102.09142 415934.0
2411 126.12786 286929.0 2501 126.12786 286929.0
2412 144.13857 10367585.0 2502 144.13857 10367585.0
2413 2503
2414 NAME: Tebufenpyrad 2504 NAME: Tebufenpyrad
2505 IONMODE: positive
2415 FORMULA: C18H24N3OCl 2506 FORMULA: C18H24N3OCl
2416 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N 2507 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
2417 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C 2508 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C
2418 RETENTIONTIME: 7.223254 2509 RETENTIONTIME: 7.223254
2419 PRECURSORMZ: 334.1692 2510 PRECURSORMZ: 334.1692
2437 188.05853 456215.0 2528 188.05853 456215.0
2438 200.05861 396435.0 2529 200.05861 396435.0
2439 334.16821 933979.0 2530 334.16821 933979.0
2440 2531
2441 NAME: Terbumeton_1 2532 NAME: Terbumeton_1
2533 IONMODE: positive
2442 FORMULA: C10H19N5O 2534 FORMULA: C10H19N5O
2443 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N 2535 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
2444 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C 2536 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
2445 RETENTIONTIME: 3.185351 2537 RETENTIONTIME: 3.185351
2446 PRECURSORMZ: 226.1667 2538 PRECURSORMZ: 226.1667
2463 168.0881 278497.0 2555 168.0881 278497.0
2464 170.10394 12296676.0 2556 170.10394 12296676.0
2465 184.11964 1858746.0 2557 184.11964 1858746.0
2466 2558
2467 NAME: Terbumeton_2 2559 NAME: Terbumeton_2
2560 IONMODE: positive
2468 FORMULA: C10H19N5O 2561 FORMULA: C10H19N5O
2469 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N 2562 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
2470 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C 2563 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
2471 RETENTIONTIME: 3.288845 2564 RETENTIONTIME: 3.288845
2472 PRECURSORMZ: 226.1663 2565 PRECURSORMZ: 226.1663
2495 170.10394 12923365.0 2588 170.10394 12923365.0
2496 184.11964 137608.0 2589 184.11964 137608.0
2497 226.16615 243943.0 2590 226.16615 243943.0
2498 2591
2499 NAME: Triadimefon 2592 NAME: Triadimefon
2593 IONMODE: positive
2500 FORMULA: C14H16N3O2Cl 2594 FORMULA: C14H16N3O2Cl
2501 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N 2595 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N
2502 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl 2596 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
2503 RETENTIONTIME: 6.495691 2597 RETENTIONTIME: 6.495691
2504 PRECURSORMZ: 294.101 2598 PRECURSORMZ: 294.101
2539 175.07544 124355.0 2633 175.07544 124355.0
2540 190.09877 46793.0 2634 190.09877 46793.0
2541 197.073 124633.0 2635 197.073 124633.0
2542 2636
2543 NAME: Trifloxystrobin 2637 NAME: Trifloxystrobin
2638 IONMODE: positive
2544 FORMULA: C20H19N2O4F3 2639 FORMULA: C20H19N2O4F3
2545 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N 2640 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
2546 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC 2641 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC
2547 RETENTIONTIME: 7.117416 2642 RETENTIONTIME: 7.117416
2548 PRECURSORMZ: 409.1378 2643 PRECURSORMZ: 409.1378
2569 173.03255 3885334.0 2664 173.03255 3885334.0
2570 186.05302 16153518.0 2665 186.05302 16153518.0
2571 206.08214 362046.0 2666 206.08214 362046.0
2572 2667
2573 NAME: Zoxamide 2668 NAME: Zoxamide
2669 IONMODE: positive
2574 FORMULA: C14H16Cl3NO2 2670 FORMULA: C14H16Cl3NO2
2575 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N 2671 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N
2576 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C 2672 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C
2577 RETENTIONTIME: 7.042906 2673 RETENTIONTIME: 7.042906
2578 PRECURSORMZ: 336.0327 2674 PRECURSORMZ: 336.0327
2586 186.97179 7551578.0 2682 186.97179 7551578.0
2587 186.98138 1310863.0 2683 186.98138 1310863.0
2588 203.99802 105210.0 2684 203.99802 105210.0
2589 2685
2590 NAME: Quinoxyfen 2686 NAME: Quinoxyfen
2687 IONMODE: positive
2591 FORMULA: C15H8NOCl2F 2688 FORMULA: C15H8NOCl2F
2592 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N 2689 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
2593 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl 2690 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl
2594 RETENTIONTIME: 7.693292 2691 RETENTIONTIME: 7.693292
2595 PRECURSORMZ: 308.0046 2692 PRECURSORMZ: 308.0046
2624 280.00934 1380984.0 2721 280.00934 1380984.0
2625 287.99789 1053238.0 2722 287.99789 1053238.0
2626 308.00415 16622164.0 2723 308.00415 16622164.0
2627 2724
2628 NAME: Rotenone 2725 NAME: Rotenone
2726 IONMODE: positive
2629 FORMULA: C23H22O6 2727 FORMULA: C23H22O6
2630 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N 2728 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N
2631 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C 2729 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C
2632 RETENTIONTIME: 7.674882 2730 RETENTIONTIME: 7.674882
2633 PRECURSORMZ: 395.1498 2731 PRECURSORMZ: 395.1498
2752 347.091 7782.0 2850 347.091 7782.0
2753 349.10764 9303.0 2851 349.10764 9303.0
2754 377.13797 5836.0 2852 377.13797 5836.0
2755 2853
2756 NAME: Secbumeton_1 2854 NAME: Secbumeton_1
2855 IONMODE: positive
2757 FORMULA: C10H19N5O 2856 FORMULA: C10H19N5O
2758 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N 2857 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
2759 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 2858 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
2760 RETENTIONTIME: 3.185351 2859 RETENTIONTIME: 3.185351
2761 PRECURSORMZ: 226.1667 2860 PRECURSORMZ: 226.1667
2778 168.0881 278497.0 2877 168.0881 278497.0
2779 170.10394 12296676.0 2878 170.10394 12296676.0
2780 184.11964 1858746.0 2879 184.11964 1858746.0
2781 2880
2782 NAME: Secbumeton_2 2881 NAME: Secbumeton_2
2882 IONMODE: positive
2783 FORMULA: C10H19N5O 2883 FORMULA: C10H19N5O
2784 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N 2884 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
2785 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1 2885 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
2786 RETENTIONTIME: 3.288845 2886 RETENTIONTIME: 3.288845
2787 PRECURSORMZ: 226.1663 2887 PRECURSORMZ: 226.1663
2810 170.10394 12923365.0 2910 170.10394 12923365.0
2811 184.11964 137608.0 2911 184.11964 137608.0
2812 226.16615 243943.0 2912 226.16615 243943.0
2813 2913
2814 NAME: Spiroxamine_1 2914 NAME: Spiroxamine_1
2915 IONMODE: positive
2815 FORMULA: C18H35NO2 2916 FORMULA: C18H35NO2
2816 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N 2917 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
2817 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC 2918 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
2818 RETENTIONTIME: 4.508498 2919 RETENTIONTIME: 4.508498
2819 PRECURSORMZ: 298.2746 2920 PRECURSORMZ: 298.2746
2824 102.09142 137060.0 2925 102.09142 137060.0
2825 126.12786 85740.0 2926 126.12786 85740.0
2826 144.13857 3215019.0 2927 144.13857 3215019.0
2827 2928
2828 NAME: Acibenzolar-S-methyl 2929 NAME: Acibenzolar-S-methyl
2930 IONMODE: positive
2829 FORMULA: C8H6N2OS2 2931 FORMULA: C8H6N2OS2
2830 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N 2932 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
2831 SMILES: CSC(=O)c1cccc2c1snn2 2933 SMILES: CSC(=O)c1cccc2c1snn2
2832 RETENTIONTIME: 7.209623 2934 RETENTIONTIME: 7.209623
2833 PRECURSORMZ: 210.9997 2935 PRECURSORMZ: 210.9997
2853 152.98305 216362.0 2955 152.98305 216362.0
2854 167.97003 464522.0 2956 167.97003 464522.0
2855 210.99977 327401.0 2957 210.99977 327401.0
2856 2958
2857 NAME: Bupirimate 2959 NAME: Bupirimate
2960 IONMODE: positive
2858 FORMULA: C13H24N4O3S 2961 FORMULA: C13H24N4O3S
2859 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N 2962 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
2860 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C 2963 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C
2861 RETENTIONTIME: 6.076324 2964 RETENTIONTIME: 6.076324
2862 PRECURSORMZ: 317.1649 2965 PRECURSORMZ: 317.1649
2918 237.20732 1204267.0 3021 237.20732 1204267.0
2919 262.08615 349666.0 3022 262.08615 349666.0
2920 272.10626 143082.0 3023 272.10626 143082.0
2921 3024
2922 NAME: Buprofezin 3025 NAME: Buprofezin
3026 IONMODE: positive
2923 FORMULA: C16H23N3OS 3027 FORMULA: C16H23N3OS
2924 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N 3028 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
2925 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C 3029 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C
2926 RETENTIONTIME: 7.028851 3030 RETENTIONTIME: 7.028851
2927 PRECURSORMZ: 306.1638 3031 PRECURSORMZ: 306.1638
2935 106.06516 49438552.0 3039 106.06516 49438552.0
2936 145.04333 786651.0 3040 145.04333 786651.0
2937 208.05412 1036458.0 3041 208.05412 1036458.0
2938 3042
2939 NAME: Carboxin 3043 NAME: Carboxin
3044 IONMODE: positive
2940 FORMULA: C12H13NO2S 3045 FORMULA: C12H13NO2S
2941 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N 3046 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
2942 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1 3047 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1
2943 RETENTIONTIME: 5.514598 3048 RETENTIONTIME: 5.514598
2944 PRECURSORMZ: 236.0745 3049 PRECURSORMZ: 236.0745
2966 162.03714 126130.0 3071 162.03714 126130.0
2967 165.02444 140508.0 3072 165.02444 140508.0
2968 166.03207 97516.0 3073 166.03207 97516.0
2969 3074
2970 NAME: Clethodim_1 3075 NAME: Clethodim_1
3076 IONMODE: positive
2971 FORMULA: C17H26NO3ClS 3077 FORMULA: C17H26NO3ClS
2972 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N 3078 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
2973 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C 3079 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
2974 RETENTIONTIME: 6.687163 3080 RETENTIONTIME: 6.687163
2975 PRECURSORMZ: 360.1401 3081 PRECURSORMZ: 360.1401
3069 206.11787 6696.0 3175 206.11787 6696.0
3070 212.11047 16431.0 3176 212.11047 16431.0
3071 240.10542 8682.0 3177 240.10542 8682.0
3072 3178
3073 NAME: Clethodim_2 3179 NAME: Clethodim_2
3180 IONMODE: positive
3074 FORMULA: C17H26NO3ClS 3181 FORMULA: C17H26NO3ClS
3075 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N 3182 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
3076 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C 3183 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
3077 RETENTIONTIME: 7.277172 3184 RETENTIONTIME: 7.277172
3078 PRECURSORMZ: 360.1401 3185 PRECURSORMZ: 360.1401
3147 208.13387 37258.0 3254 208.13387 37258.0
3148 212.11047 103531.0 3255 212.11047 103531.0
3149 240.10542 87328.0 3256 240.10542 87328.0
3150 3257
3151 NAME: Clothianidin 3258 NAME: Clothianidin
3259 IONMODE: positive
3152 FORMULA: C6H8N5O2ClS 3260 FORMULA: C6H8N5O2ClS
3153 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N 3261 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N
3154 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl 3262 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl
3155 RETENTIONTIME: 2.767634 3263 RETENTIONTIME: 2.767634
3156 PRECURSORMZ: 250.0162 3264 PRECURSORMZ: 250.0162
3169 206.01546 199604.0 3277 206.01546 199604.0
3170 220.01871 34828.0 3278 220.01871 34828.0
3171 250.01668 782407.0 3279 250.01668 782407.0
3172 3280
3173 NAME: Cyazofamid 3281 NAME: Cyazofamid
3282 IONMODE: positive
3174 FORMULA: C13H13N4O2ClS 3283 FORMULA: C13H13N4O2ClS
3175 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N 3284 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
3176 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl 3285 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
3177 RETENTIONTIME: 6.824718 3286 RETENTIONTIME: 6.824718
3178 PRECURSORMZ: 325.0526 3287 PRECURSORMZ: 325.0526
3193 325.052 1817226.0 3302 325.052 1817226.0
3194 325.14325 121241.0 3303 325.14325 121241.0
3195 325.23611 85648.0 3304 325.23611 85648.0
3196 3305
3197 NAME: Ethiprole 3306 NAME: Ethiprole
3307 IONMODE: positive
3198 FORMULA: C13H9N4OCl2F3S 3308 FORMULA: C13H9N4OCl2F3S
3199 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N 3309 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
3200 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F 3310 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
3201 RETENTIONTIME: 5.828761 3311 RETENTIONTIME: 5.828761
3202 PRECURSORMZ: 396.991 3312 PRECURSORMZ: 396.991
3214 315.97946 548987.0 3324 315.97946 548987.0
3215 323.93817 233169.0 3325 323.93817 233169.0
3216 350.94952 1933706.0 3326 350.94952 1933706.0
3217 3327
3218 NAME: Ethofumesate 3328 NAME: Ethofumesate
3329 IONMODE: positive
3219 FORMULA: C13H18O5S 3330 FORMULA: C13H18O5S
3220 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N 3331 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N
3221 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C 3332 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C
3222 RETENTIONTIME: 6.01901 3333 RETENTIONTIME: 6.01901
3223 PRECURSORMZ: 287.0957 3334 PRECURSORMZ: 287.0957
3234 259.06424 3450423.0 3345 259.06424 3450423.0
3235 277.07498 105295.0 3346 277.07498 105295.0
3236 287.09497 1000737.0 3347 287.09497 1000737.0
3237 3348
3238 NAME: Fenamidone 3349 NAME: Fenamidone
3350 IONMODE: positive
3239 FORMULA: C17H17N3OS 3351 FORMULA: C17H17N3OS
3240 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N 3352 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
3241 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1 3353 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1
3242 RETENTIONTIME: 6.626915 3354 RETENTIONTIME: 6.626915
3243 PRECURSORMZ: 312.1172 3355 PRECURSORMZ: 312.1172
3267 221.0947 1138537.0 3379 221.0947 1138537.0
3268 236.11884 5452674.0 3380 236.11884 5452674.0
3269 237.04855 688489.0 3381 237.04855 688489.0
3270 3382
3271 NAME: Fipronil 3383 NAME: Fipronil
3384 IONMODE: positive
3272 FORMULA: C12H4N4OCl2F6S 3385 FORMULA: C12H4N4OCl2F6S
3273 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N 3386 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
3274 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F 3387 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
3275 RETENTIONTIME: 6.367518 3388 RETENTIONTIME: 6.367518
3276 PRECURSORMZ: 436.9474 3389 PRECURSORMZ: 436.9474
3321 341.94772 7327.0 3434 341.94772 7327.0
3322 350.94775 6206.0 3435 350.94775 6206.0
3323 367.95102 6446.0 3436 367.95102 6446.0
3324 3437
3325 NAME: Flufenacet 3438 NAME: Flufenacet
3439 IONMODE: positive
3326 FORMULA: C14H13N3O2F4S 3440 FORMULA: C14H13N3O2F4S
3327 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N 3441 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
3328 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C 3442 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C
3329 RETENTIONTIME: 6.476889 3443 RETENTIONTIME: 6.476889
3330 PRECURSORMZ: 364.0744 3444 PRECURSORMZ: 364.0744
3336 152.08713 528888.0 3450 152.08713 528888.0
3337 194.09782 19271964.0 3451 194.09782 19271964.0
3338 364.07422 2107439.0 3452 364.07422 2107439.0
3339 3453
3340 NAME: Hexythiazox 3454 NAME: Hexythiazox
3455 IONMODE: positive
3341 FORMULA: C17H21N2O2ClS 3456 FORMULA: C17H21N2O2ClS
3342 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N 3457 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N
3343 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O 3458 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O
3344 RETENTIONTIME: 7.46046 3459 RETENTIONTIME: 7.46046
3345 PRECURSORMZ: 353.1096 3460 PRECURSORMZ: 353.1096
3364 194.03688 1165217.0 3479 194.03688 1165217.0
3365 210.01369 101590.0 3480 210.01369 101590.0
3366 228.02509 203533.0 3481 228.02509 203533.0
3367 3482
3368 NAME: Mefenacet 3483 NAME: Mefenacet
3484 IONMODE: positive
3369 FORMULA: C16H14N2O2S 3485 FORMULA: C16H14N2O2S
3370 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N 3486 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
3371 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2 3487 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2
3372 RETENTIONTIME: 7.143147 3488 RETENTIONTIME: 7.143147
3373 PRECURSORMZ: 299.0857 3489 PRECURSORMZ: 299.0857
3384 136.02161 2145909.0 3500 136.02161 2145909.0
3385 148.0759 2833957.0 3501 148.0759 2833957.0
3386 152.01669 272045.0 3502 152.01669 272045.0
3387 3503
3388 NAME: Mesotrione 3504 NAME: Mesotrione
3505 IONMODE: positive
3389 FORMULA: C14H13NO7S 3506 FORMULA: C14H13NO7S
3390 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N 3507 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N
3391 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C 3508 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C
3392 RETENTIONTIME: 4.438974 3509 RETENTIONTIME: 4.438974
3393 PRECURSORMZ: 340.0492 3510 PRECURSORMZ: 340.0492
3415 275.03772 37760.0 3532 275.03772 37760.0
3416 293.04776 19676.0 3533 293.04776 19676.0
3417 294.05606 18376.0 3534 294.05606 18376.0
3418 3535
3419 NAME: Methoprotryne 3536 NAME: Methoprotryne
3537 IONMODE: positive
3420 FORMULA: C11H21N5OS 3538 FORMULA: C11H21N5OS
3421 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N 3539 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
3422 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1 3540 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
3423 RETENTIONTIME: 4.953537 3541 RETENTIONTIME: 4.953537
3424 PRECURSORMZ: 272.1545 3542 PRECURSORMZ: 272.1545
3440 212.09639 2176296.0 3558 212.09639 2176296.0
3441 230.10741 452827.0 3559 230.10741 452827.0
3442 240.1284 1276547.0 3560 240.1284 1276547.0
3443 3561
3444 NAME: Metribuzin 3562 NAME: Metribuzin
3563 IONMODE: positive
3445 FORMULA: C8H14N4OS 3564 FORMULA: C8H14N4OS
3446 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N 3565 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N
3447 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C 3566 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C
3448 RETENTIONTIME: 4.458099 3567 RETENTIONTIME: 4.458099
3449 PRECURSORMZ: 215.0965 3568 PRECURSORMZ: 215.0965
3512 186.08231 47791.0 3631 186.08231 47791.0
3513 187.10153 1851092.0 3632 187.10153 1851092.0
3514 215.09644 112225.0 3633 215.09644 112225.0
3515 3634
3516 NAME: Prometryne 3635 NAME: Prometryne
3636 IONMODE: positive
3517 FORMULA: C10H19N5S 3637 FORMULA: C10H19N5S
3518 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N 3638 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
3519 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1 3639 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
3520 RETENTIONTIME: 4.990861 3640 RETENTIONTIME: 4.990861
3521 PRECURSORMZ: 242.1439 3641 PRECURSORMZ: 242.1439
3537 173.50693 425480.0 3657 173.50693 425480.0
3538 186.08095 16656961.0 3658 186.08095 16656961.0
3539 200.09659 2036050.0 3659 200.09659 2036050.0
3540 3660
3541 NAME: Pyridaben 3661 NAME: Pyridaben
3662 IONMODE: positive
3542 FORMULA: C19H25N2OClS 3663 FORMULA: C19H25N2OClS
3543 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N 3664 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
3544 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C 3665 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C
3545 RETENTIONTIME: 7.556859 3666 RETENTIONTIME: 7.556859
3546 PRECURSORMZ: 365.1459 3667 PRECURSORMZ: 365.1459
3550 147.11726 1746679.0 3671 147.11726 1746679.0
3551 309.0834 39061400.0 3672 309.0834 39061400.0
3552 365.14478 6893662.0 3673 365.14478 6893662.0
3553 3674
3554 NAME: Simetryn 3675 NAME: Simetryn
3676 IONMODE: positive
3555 FORMULA: C8H15N5S 3677 FORMULA: C8H15N5S
3556 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N 3678 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
3557 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1 3679 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1
3558 RETENTIONTIME: 3.75983 3680 RETENTIONTIME: 3.75983
3559 PRECURSORMZ: 214.1124 3681 PRECURSORMZ: 214.1124
3572 166.10905 576911.0 3694 166.10905 576911.0
3573 186.08095 411980.0 3695 186.08095 411980.0
3574 214.11266 506708.0 3696 214.11266 506708.0
3575 3697
3576 NAME: Sulfentrazone 3698 NAME: Sulfentrazone
3699 IONMODE: positive
3577 FORMULA: C11H10N4O3Cl2F2S 3700 FORMULA: C11H10N4O3Cl2F2S
3578 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N 3701 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
3579 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C 3702 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C
3580 RETENTIONTIME: 4.825635 3703 RETENTIONTIME: 4.825635
3581 PRECURSORMZ: 386.99 3704 PRECURSORMZ: 386.99
3630 306.99692 72556.0 3753 306.99692 72556.0
3631 308.00412 68794.0 3754 308.00412 68794.0
3632 336.99271 19232.0 3755 336.99271 19232.0
3633 3756
3634 NAME: Terbutryn 3757 NAME: Terbutryn
3758 IONMODE: positive
3635 FORMULA: C10H19N5S 3759 FORMULA: C10H19N5S
3636 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N 3760 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
3637 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C 3761 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C
3638 RETENTIONTIME: 4.990861 3762 RETENTIONTIME: 4.990861
3639 PRECURSORMZ: 242.1439 3763 PRECURSORMZ: 242.1439
3655 173.50693 425480.0 3779 173.50693 425480.0
3656 186.08095 16656961.0 3780 186.08095 16656961.0
3657 200.09659 2036050.0 3781 200.09659 2036050.0
3658 3782
3659 NAME: Thiabendazole 3783 NAME: Thiabendazole
3784 IONMODE: positive
3660 FORMULA: C10H7N3S 3785 FORMULA: C10H7N3S
3661 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N 3786 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
3662 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2 3787 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2
3663 RETENTIONTIME: 2.44406 3788 RETENTIONTIME: 2.44406
3664 PRECURSORMZ: 202.0437 3789 PRECURSORMZ: 202.0437
3672 170.07179 139529.0 3797 170.07179 139529.0
3673 175.03255 9873992.0 3798 175.03255 9873992.0
3674 202.04396 3731232.0 3799 202.04396 3731232.0
3675 3800
3676 NAME: Thiacloprid 3801 NAME: Thiacloprid
3802 IONMODE: positive
3677 FORMULA: C10H9N4ClS 3803 FORMULA: C10H9N4ClS
3678 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N 3804 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N
3679 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl 3805 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl
3680 RETENTIONTIME: 4.159843 3806 RETENTIONTIME: 4.159843
3681 PRECURSORMZ: 253.0315 3807 PRECURSORMZ: 253.0315
3688 108.0446 146293.0 3814 108.0446 146293.0
3689 126.01085 11655971.0 3815 126.01085 11655971.0
3690 144.02113 633179.0 3816 144.02113 633179.0
3691 3817
3692 NAME: Thiamethoxam 3818 NAME: Thiamethoxam
3819 IONMODE: positive
3693 FORMULA: C8H10N5O3ClS 3820 FORMULA: C8H10N5O3ClS
3694 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N 3821 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N
3695 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl 3822 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl
3696 RETENTIONTIME: 2.35524 3823 RETENTIONTIME: 2.35524
3697 PRECURSORMZ: 292.0273 3824 PRECURSORMZ: 292.0273
3708 246.0343 359117.0 3835 246.0343 359117.0
3709 248.02554 112237.0 3836 248.02554 112237.0
3710 292.02722 584625.0 3837 292.02722 584625.0
3711 3838
3712 NAME: Tricyclazole 3839 NAME: Tricyclazole
3840 IONMODE: positive
3713 FORMULA: C9H7N3S 3841 FORMULA: C9H7N3S
3714 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N 3842 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
3715 SMILES: Cc1cccc2c1n1cnnc1s2 3843 SMILES: Cc1cccc2c1n1cnnc1s2
3716 RETENTIONTIME: 5.514598 3844 RETENTIONTIME: 5.514598
3717 PRECURSORMZ: 190.0439 3845 PRECURSORMZ: 190.0439
3728 137.01691 212259.0 3856 137.01691 212259.0
3729 163.03258 14491751.0 3857 163.03258 14491751.0
3730 190.04391 4390148.0 3858 190.04391 4390148.0
3731 3859
3732 NAME: Fenarimol 3860 NAME: Fenarimol
3861 IONMODE: positive
3733 FORMULA: C17H12N2OCl2 3862 FORMULA: C17H12N2OCl2
3734 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N 3863 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N
3735 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O 3864 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
3736 RETENTIONTIME: 6.876775 3865 RETENTIONTIME: 6.876775
3737 PRECURSORMZ: 331.0412 3866 PRECURSORMZ: 331.0412
3798 277.0527 143152.0 3927 277.0527 143152.0
3799 278.06161 515869.0 3928 278.06161 515869.0
3800 279.06857 114232.0 3929 279.06857 114232.0
3801 3930
3802 NAME: Fenbuconazole 3931 NAME: Fenbuconazole
3932 IONMODE: positive
3803 FORMULA: C19H17N4Cl 3933 FORMULA: C19H17N4Cl
3804 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N 3934 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N
3805 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl 3935 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl
3806 RETENTIONTIME: 7.045859 3936 RETENTIONTIME: 7.045859
3807 PRECURSORMZ: 337.1223 3937 PRECURSORMZ: 337.1223
3817 139.0309 716816.0 3947 139.0309 716816.0
3818 155.06064 335216.0 3948 155.06064 335216.0
3819 163.0309 736285.0 3949 163.0309 736285.0
3820 3950
3821 NAME: Fluquinconazole 3951 NAME: Fluquinconazole
3952 IONMODE: positive
3822 FORMULA: C16H8N5OCl2F 3953 FORMULA: C16H8N5OCl2F
3823 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N 3954 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
3824 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1 3955 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1
3825 RETENTIONTIME: 7.093534 3956 RETENTIONTIME: 7.093534
3826 PRECURSORMZ: 376.0173 3957 PRECURSORMZ: 376.0173
3849 339.01056 449848.0 3980 339.01056 449848.0
3850 349.00613 731296.0 3981 349.00613 731296.0
3851 349.98984 271485.0 3982 349.98984 271485.0
3852 3983
3853 NAME: Flutriafol 3984 NAME: Flutriafol
3985 IONMODE: positive
3854 FORMULA: C16H13N3OF2 3986 FORMULA: C16H13N3OF2
3855 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N 3987 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N
3856 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O 3988 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O
3857 RETENTIONTIME: 5.240544 3989 RETENTIONTIME: 5.240544
3858 PRECURSORMZ: 302.1111 3990 PRECURSORMZ: 302.1111
3870 195.06081 577107.0 4002 195.06081 577107.0
3871 214.05884 311976.0 4003 214.05884 311976.0
3872 215.0668 353163.0 4004 215.0668 353163.0
3873 4005
3874 NAME: Fuberidazole 4006 NAME: Fuberidazole
4007 IONMODE: positive
3875 FORMULA: C11H8N2O 4008 FORMULA: C11H8N2O
3876 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N 4009 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
3877 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2 4010 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2
3878 RETENTIONTIME: 2.456748 4011 RETENTIONTIME: 2.456748
3879 PRECURSORMZ: 185.0715 4012 PRECURSORMZ: 185.0715
3895 156.06877 35950644.0 4028 156.06877 35950644.0
3896 157.07619 39653584.0 4029 157.07619 39653584.0
3897 185.0714 6790632.0 4030 185.0714 6790632.0
3898 4031
3899 NAME: Cyproconazole_1 4032 NAME: Cyproconazole_1
4033 IONMODE: positive
3900 FORMULA: C15H18N3OCl 4034 FORMULA: C15H18N3OCl
3901 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N 4035 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
3902 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 4036 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
3903 RETENTIONTIME: 6.138374 4037 RETENTIONTIME: 6.138374
3904 PRECURSORMZ: 292.122 4038 PRECURSORMZ: 292.122
3909 125.01532 6537308.0 4043 125.01532 6537308.0
3910 138.99483 329090.0 4044 138.99483 329090.0
3911 139.00581 166501.0 4045 139.00581 166501.0
3912 4046
3913 NAME: Cyproconazole_2 4047 NAME: Cyproconazole_2
4048 IONMODE: positive
3914 FORMULA: C15H18N3OCl 4049 FORMULA: C15H18N3OCl
3915 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N 4050 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
3916 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1 4051 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
3917 RETENTIONTIME: 6.36811 4052 RETENTIONTIME: 6.36811
3918 PRECURSORMZ: 292.1225 4053 PRECURSORMZ: 292.1225
3923 125.01532 8553550.0 4058 125.01532 8553550.0
3924 138.99483 403028.0 4059 138.99483 403028.0
3925 139.00581 198856.0 4060 139.00581 198856.0
3926 4061
3927 NAME: Diclobutrazol 4062 NAME: Diclobutrazol
4063 IONMODE: positive
3928 FORMULA: C15H19N3OCl2 4064 FORMULA: C15H19N3OCl2
3929 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N 4065 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
3930 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1 4066 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1
3931 RETENTIONTIME: 6.830443 4067 RETENTIONTIME: 6.830443
3932 PRECURSORMZ: 328.0983 4068 PRECURSORMZ: 328.0983
3944 186.97108 498843.0 4080 186.97108 498843.0
3945 190.96622 746907.0 4081 190.96622 746907.0
3946 199.00793 579087.0 4082 199.00793 579087.0
3947 4083
3948 NAME: Difenoconazole 4084 NAME: Difenoconazole
4085 IONMODE: positive
3949 FORMULA: C19H17N3O3Cl2 4086 FORMULA: C19H17N3O3Cl2
3950 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N 4087 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
3951 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl 4088 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl
3952 RETENTIONTIME: 7.351549 4089 RETENTIONTIME: 7.351549
3953 PRECURSORMZ: 406.0727 4090 PRECURSORMZ: 406.0727
3967 223.00838 2665156.0 4104 223.00838 2665156.0
3968 251.0031 32513990.0 4105 251.0031 32513990.0
3969 264.98291 3756956.0 4106 264.98291 3756956.0
3970 4107
3971 NAME: Diniconazole 4108 NAME: Diniconazole
4109 IONMODE: positive
3972 FORMULA: C15H17N3OCl2 4110 FORMULA: C15H17N3OCl2
3973 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N 4111 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N
3974 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1 4112 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1
3975 RETENTIONTIME: 6.999194 4113 RETENTIONTIME: 6.999194
3976 PRECURSORMZ: 326.0832 4114 PRECURSORMZ: 326.0832
4029 264.0097 43206.0 4167 264.0097 43206.0
4030 270.01987 48934.0 4168 270.01987 48934.0
4031 278.02554 102202.0 4169 278.02554 102202.0
4032 4170
4033 NAME: Epoxiconazole 4171 NAME: Epoxiconazole
4172 IONMODE: positive
4034 FORMULA: C17H13N3OClF 4173 FORMULA: C17H13N3OClF
4035 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N 4174 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N
4036 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl 4175 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl
4037 RETENTIONTIME: 6.999194 4176 RETENTIONTIME: 6.999194
4038 PRECURSORMZ: 330.0806 4177 PRECURSORMZ: 330.0806
4051 129.04501 7068444.0 4190 129.04501 7068444.0
4052 138.99483 468356.0 4191 138.99483 468356.0
4053 141.01048 1219612.0 4192 141.01048 1219612.0
4054 4193
4055 NAME: Etaconazole 4194 NAME: Etaconazole
4195 IONMODE: positive
4056 FORMULA: C14H15N3O2Cl2 4196 FORMULA: C14H15N3O2Cl2
4057 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N 4197 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N
4058 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl 4198 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
4059 RETENTIONTIME: 6.802904 4199 RETENTIONTIME: 6.802904
4060 PRECURSORMZ: 328.0626 4200 PRECURSORMZ: 328.0626
4071 174.97166 597883.0 4211 174.97166 597883.0
4072 190.96622 527039.0 4212 190.96622 527039.0
4073 199.00793 567443.0 4213 199.00793 567443.0
4074 4214
4075 NAME: Ethirimol 4215 NAME: Ethirimol
4216 IONMODE: positive
4076 FORMULA: C11H19N3O 4217 FORMULA: C11H19N3O
4077 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N 4218 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N
4078 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C 4219 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C
4079 RETENTIONTIME: 2.246086 4220 RETENTIONTIME: 2.246086
4080 PRECURSORMZ: 210.1608 4221 PRECURSORMZ: 210.1608
4113 182.12912 2661313.0 4254 182.12912 2661313.0
4114 193.13402 1554662.0 4255 193.13402 1554662.0
4115 210.15997 2414378.0 4256 210.15997 2414378.0
4116 4257
4117 NAME: Hexaconazole 4258 NAME: Hexaconazole
4259 IONMODE: positive
4118 FORMULA: C14H17N3OCl2 4260 FORMULA: C14H17N3OCl2
4119 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N 4261 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N
4120 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O 4262 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O
4121 RETENTIONTIME: 6.793731 4263 RETENTIONTIME: 6.793731
4122 PRECURSORMZ: 314.0833 4264 PRECURSORMZ: 314.0833
4139 174.97166 740773.0 4281 174.97166 740773.0
4140 184.99236 690533.0 4282 184.99236 690533.0
4141 188.98734 151249.0 4283 188.98734 151249.0
4142 4284
4143 NAME: Ipconazole 4285 NAME: Ipconazole
4286 IONMODE: positive
4144 FORMULA: C18H24N3OCl 4287 FORMULA: C18H24N3OCl
4145 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N 4288 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
4146 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C 4289 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C
4147 RETENTIONTIME: 7.112235 4290 RETENTIONTIME: 7.112235
4148 PRECURSORMZ: 334.1694 4291 PRECURSORMZ: 334.1694
4167 165.04663 173374.0 4310 165.04663 173374.0
4168 177.04655 269267.0 4311 177.04655 269267.0
4169 191.06258 291856.0 4312 191.06258 291856.0
4170 4313
4171 NAME: Metconazole 4314 NAME: Metconazole
4315 IONMODE: positive
4172 FORMULA: C17H22N3OCl 4316 FORMULA: C17H22N3OCl
4173 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N 4317 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
4174 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl 4318 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl
4175 RETENTIONTIME: 7.017605 4319 RETENTIONTIME: 7.017605
4176 PRECURSORMZ: 320.1538 4320 PRECURSORMZ: 320.1538
4190 165.04663 82686.0 4334 165.04663 82686.0
4191 177.04655 645875.0 4335 177.04655 645875.0
4192 191.06258 194319.0 4336 191.06258 194319.0
4193 4337
4194 NAME: Nuarimol 4338 NAME: Nuarimol
4339 IONMODE: positive
4195 FORMULA: C17H12N2OClF 4340 FORMULA: C17H12N2OClF
4196 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N 4341 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N
4197 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O 4342 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
4198 RETENTIONTIME: 6.452959 4343 RETENTIONTIME: 6.452959
4199 PRECURSORMZ: 315.0705 4344 PRECURSORMZ: 315.0705
4259 263.09796 32958.0 4404 263.09796 32958.0
4260 269.04013 16405.0 4405 269.04013 16405.0
4261 270.04846 16960.0 4406 270.04846 16960.0
4262 4407
4263 NAME: Paclobutrazol 4408 NAME: Paclobutrazol
4409 IONMODE: positive
4264 FORMULA: C15H20N3OCl 4410 FORMULA: C15H20N3OCl
4265 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N 4411 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N
4266 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl 4412 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl
4267 RETENTIONTIME: 6.358851 4413 RETENTIONTIME: 6.358851
4268 PRECURSORMZ: 294.1362 4414 PRECURSORMZ: 294.1362
4291 151.03107 202825.0 4437 151.03107 202825.0
4292 165.04663 986782.0 4438 165.04663 986782.0
4293 173.50876 86407.0 4439 173.50876 86407.0
4294 4440
4295 NAME: Penconazole 4441 NAME: Penconazole
4442 IONMODE: positive
4296 FORMULA: C13H15N3Cl2 4443 FORMULA: C13H15N3Cl2
4297 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N 4444 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N
4298 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1 4445 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1
4299 RETENTIONTIME: 6.747501 4446 RETENTIONTIME: 6.747501
4300 PRECURSORMZ: 284.0724 4447 PRECURSORMZ: 284.0724
4306 137.01562 2859486.0 4453 137.01562 2859486.0
4307 158.97626 62049868.0 4454 158.97626 62049868.0
4308 172.99223 3885430.0 4455 172.99223 3885430.0
4309 4456
4310 NAME: Propiconazole 4457 NAME: Propiconazole
4458 IONMODE: positive
4311 FORMULA: C15H17N3O2Cl2 4459 FORMULA: C15H17N3O2Cl2
4312 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N 4460 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
4313 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl 4461 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
4314 RETENTIONTIME: 6.999194 4462 RETENTIONTIME: 6.999194
4315 PRECURSORMZ: 342.0777 4463 PRECURSORMZ: 342.0777
4321 172.9556 1323126.0 4469 172.9556 1323126.0
4322 186.97108 391981.0 4470 186.97108 391981.0
4323 190.96622 431621.0 4471 190.96622 431621.0
4324 4472
4325 NAME: Tebuconazole 4473 NAME: Tebuconazole
4474 IONMODE: positive
4326 FORMULA: C16H22N3OCl 4475 FORMULA: C16H22N3OCl
4327 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N 4476 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N
4328 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O 4477 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O
4329 RETENTIONTIME: 6.933391 4478 RETENTIONTIME: 6.933391
4330 PRECURSORMZ: 308.1532 4479 PRECURSORMZ: 308.1532
4346 151.03107 2225088.0 4495 151.03107 2225088.0
4347 165.04663 474739.0 4496 165.04663 474739.0
4348 179.0621 93619.0 4497 179.0621 93619.0
4349 4498
4350 NAME: Tetraconazole 4499 NAME: Tetraconazole
4500 IONMODE: positive
4351 FORMULA: C13H11N3OCl2F4 4501 FORMULA: C13H11N3OCl2F4
4352 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N 4502 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N
4353 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F 4503 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F
4354 RETENTIONTIME: 6.434036 4504 RETENTIONTIME: 6.434036
4355 PRECURSORMZ: 372.0302 4505 PRECURSORMZ: 372.0302
4362 158.97679 15780315.0 4512 158.97679 15780315.0
4363 176.96693 301907.0 4513 176.96693 301907.0
4364 184.99236 249943.0 4514 184.99236 249943.0
4365 4515
4366 NAME: Triflumizole 4516 NAME: Triflumizole
4517 IONMODE: positive
4367 FORMULA: C15H15N3OClF3 4518 FORMULA: C15H15N3OClF3
4368 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N 4519 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
4369 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1 4520 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1
4370 RETENTIONTIME: 6.821252 4521 RETENTIONTIME: 6.821252
4371 PRECURSORMZ: 346.094 4522 PRECURSORMZ: 346.094
4374 NUM PEAKS: 2 4525 NUM PEAKS: 2
4375 278.05542 29552484.0 4526 278.05542 29552484.0
4376 346.09351 955540.0 4527 346.09351 955540.0
4377 4528
4378 NAME: Triticonazole 4529 NAME: Triticonazole
4530 IONMODE: positive
4379 FORMULA: C17H20N3OCl 4531 FORMULA: C17H20N3OCl
4380 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N 4532 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N
4381 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C 4533 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C
4382 RETENTIONTIME: 6.793731 4534 RETENTIONTIME: 6.793731
4383 PRECURSORMZ: 318.1369 4535 PRECURSORMZ: 318.1369
4443 190.04179 48399.0 4595 190.04179 48399.0
4444 191.06258 581232.0 4596 191.06258 581232.0
4445 196.12456 74697.0 4597 196.12456 74697.0
4446 4598
4447 NAME: Spinetoram L 4599 NAME: Spinetoram L
4600 IONMODE: positive
4448 FORMULA: C43H69NO10 4601 FORMULA: C43H69NO10
4449 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N 4602 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N
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 4603 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
4451 RETENTIONTIME: 6.970665 4604 RETENTIONTIME: 6.970665
4452 PRECURSORMZ: 760.5021 4605 PRECURSORMZ: 760.5021
4474 183.11732 117521.0 4627 183.11732 117521.0
4475 211.11166 121662.0 4628 211.11166 121662.0
4476 213.09132 89441.0 4629 213.09132 89441.0
4477 4630
4478 NAME: Emamectin benzoate 4631 NAME: Emamectin benzoate
4632 IONMODE: positive
4479 FORMULA: C49H75NO13 4633 FORMULA: C49H75NO13
4480 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N 4634 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N
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 4635 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
4482 RETENTIONTIME: 6.999389 4636 RETENTIONTIME: 6.999389
4483 PRECURSORMZ: 886.5328 4637 PRECURSORMZ: 886.5328
4495 140.10709 213152.0 4649 140.10709 213152.0
4496 158.11794 18414448.0 4650 158.11794 18414448.0
4497 173.50876 230972.0 4651 173.50876 230972.0
4498 4652
4499 NAME: Fenpropimorph 4653 NAME: Fenpropimorph
4654 IONMODE: positive
4500 FORMULA: C20H33NO 4655 FORMULA: C20H33NO
4501 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N 4656 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
4502 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C 4657 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C
4503 RETENTIONTIME: 4.613603 4658 RETENTIONTIME: 4.613603
4504 PRECURSORMZ: 304.2642 4659 PRECURSORMZ: 304.2642
4519 147.11678 29169826.0 4674 147.11678 29169826.0
4520 161.13254 881881.0 4675 161.13254 881881.0
4521 304.26379 2555976.0 4676 304.26379 2555976.0
4522 4677
4523 NAME: Spirodiclofen 4678 NAME: Spirodiclofen
4679 IONMODE: positive
4524 FORMULA: C21H24O4Cl2 4680 FORMULA: C21H24O4Cl2
4525 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N 4681 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N
4526 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C 4682 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C
4527 RETENTIONTIME: 7.279784 4683 RETENTIONTIME: 7.279784
4528 PRECURSORMZ: 411.1127 4684 PRECURSORMZ: 411.1127
4532 313.03357 548684.0 4688 313.03357 548684.0
4533 313.03952 12618725.0 4689 313.03952 12618725.0
4534 411.11246 2380661.0 4690 411.11246 2380661.0
4535 4691
4536 NAME: Spinosad 4692 NAME: Spinosad
4693 IONMODE: positive
4537 FORMULA: C41H65NO10 4694 FORMULA: C41H65NO10
4538 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N 4695 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N
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 4696 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
4540 RETENTIONTIME: 6.884336 4697 RETENTIONTIME: 6.884336
4541 PRECURSORMZ: 732.4695 4698 PRECURSORMZ: 732.4695
4566 199.07574 416158.0 4723 199.07574 416158.0
4567 201.0916 354498.0 4724 201.0916 354498.0
4568 225.09103 339682.0 4725 225.09103 339682.0
4569 4726
4570 NAME: Spirotetramat 4727 NAME: Spirotetramat
4728 IONMODE: positive
4571 FORMULA: C21H27NO5 4729 FORMULA: C21H27NO5
4572 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N 4730 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
4573 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C 4731 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C
4574 RETENTIONTIME: 6.637813 4732 RETENTIONTIME: 6.637813
4575 PRECURSORMZ: 374.1972 4733 PRECURSORMZ: 374.1972
4601 253.12317 483222.0 4759 253.12317 483222.0
4602 270.14972 5260680.0 4760 270.14972 5260680.0
4603 302.17508 467268.0 4761 302.17508 467268.0
4604 4762
4605 NAME: Spinetoram J 4763 NAME: Spinetoram J
4764 IONMODE: positive
4606 FORMULA: C42H69NO10 4765 FORMULA: C42H69NO10
4607 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N 4766 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N
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 4767 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
4609 RETENTIONTIME: 6.875065 4768 RETENTIONTIME: 6.875065
4610 PRECURSORMZ: 748.4996 4769 PRECURSORMZ: 748.4996
4630 199.11194 246050.0 4789 199.11194 246050.0
4631 203.10715 581698.0 4790 203.10715 581698.0
4632 217.12222 236328.0 4791 217.12222 236328.0
4633 4792
4634 NAME: Hydramethylnon 4793 NAME: Hydramethylnon
4794 IONMODE: positive
4635 FORMULA: C25H24N4F6 4795 FORMULA: C25H24N4F6
4636 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N 4796 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N
4637 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F 4797 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F
4638 RETENTIONTIME: 6.67979 4798 RETENTIONTIME: 6.67979
4639 PRECURSORMZ: 495.1986 4799 PRECURSORMZ: 495.1986
4688 366.07346 193709.0 4848 366.07346 193709.0
4689 368.08932 5815862.0 4849 368.08932 5815862.0
4690 495.20059 2433116.0 4850 495.20059 2433116.0
4691 4851
4692 NAME: Aminocarb_1 4852 NAME: Aminocarb_1
4853 IONMODE: positive
4693 FORMULA: C11H16N2O2 4854 FORMULA: C11H16N2O2
4694 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N 4855 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
4695 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O 4856 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
4696 RETENTIONTIME: 0.8035756 4857 RETENTIONTIME: 0.8035756
4697 PRECURSORMZ: 209.129 4858 PRECURSORMZ: 209.129
4703 136.07611 928093.0 4864 136.07611 928093.0
4704 137.08363 8823033.0 4865 137.08363 8823033.0
4705 152.10725 186336.0 4866 152.10725 186336.0
4706 4867
4707 NAME: Aminocarb_2 4868 NAME: Aminocarb_2
4869 IONMODE: positive
4708 FORMULA: C11H16N2O2 4870 FORMULA: C11H16N2O2
4709 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N 4871 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
4710 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O 4872 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
4711 RETENTIONTIME: 1.13997 4873 RETENTIONTIME: 1.13997
4712 PRECURSORMZ: 209.129 4874 PRECURSORMZ: 209.129
4718 136.07611 1253139.0 4880 136.07611 1253139.0
4719 137.08363 12201258.0 4881 137.08363 12201258.0
4720 152.10725 242082.0 4882 152.10725 242082.0
4721 4883
4722 NAME: Propamocarb_1 4884 NAME: Propamocarb_1
4885 IONMODE: positive
4723 FORMULA: C9H20N2O2 4886 FORMULA: C9H20N2O2
4724 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N 4887 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
4725 SMILES: CCCOC(=NCCCN(C)C)O 4888 SMILES: CCCOC(=NCCCN(C)C)O
4726 RETENTIONTIME: 0.7535679 4889 RETENTIONTIME: 0.7535679
4727 PRECURSORMZ: 189.1603 4890 PRECURSORMZ: 189.1603
4730 NUM PEAKS: 2 4893 NUM PEAKS: 2
4731 86.0966 201548.0 4894 86.0966 201548.0
4732 102.05516 5038638.0 4895 102.05516 5038638.0
4733 4896
4734 NAME: Propamocarb_2 4897 NAME: Propamocarb_2
4898 IONMODE: positive
4735 FORMULA: C9H20N2O2 4899 FORMULA: C9H20N2O2
4736 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N 4900 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
4737 SMILES: CCCOC(=NCCCN(C)C)O 4901 SMILES: CCCOC(=NCCCN(C)C)O
4738 RETENTIONTIME: 1.081971 4902 RETENTIONTIME: 1.081971
4739 PRECURSORMZ: 189.1603 4903 PRECURSORMZ: 189.1603
4742 NUM PEAKS: 2 4906 NUM PEAKS: 2
4743 86.0966 107829.0 4907 86.0966 107829.0
4744 102.05516 2507023.0 4908 102.05516 2507023.0
4745 4909
4746 NAME: Formetanate_1 4910 NAME: Formetanate_1
4911 IONMODE: positive
4747 FORMULA: C11H15N3O2 4912 FORMULA: C11H15N3O2
4748 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N 4913 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
4749 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O 4914 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
4750 RETENTIONTIME: 0.7730471 4915 RETENTIONTIME: 0.7730471
4751 PRECURSORMZ: 222.1239 4916 PRECURSORMZ: 222.1239
4765 173.50876 2616.0 4930 173.50876 2616.0
4766 200.05632 2056.0 4931 200.05632 2056.0
4767 208.52768 2170.0 4932 208.52768 2170.0
4768 4933
4769 NAME: Formetanate_2 4934 NAME: Formetanate_2
4935 IONMODE: positive
4770 FORMULA: C11H15N3O2 4936 FORMULA: C11H15N3O2
4771 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N 4937 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
4772 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O 4938 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
4773 RETENTIONTIME: 1.13043 4939 RETENTIONTIME: 1.13043
4774 PRECURSORMZ: 222.1239 4940 PRECURSORMZ: 222.1239
4790 145.06488 3067.0 4956 145.06488 3067.0
4791 164.95049 3848.0 4957 164.95049 3848.0
4792 165.1024 263802.0 4958 165.1024 263802.0
4793 4959
4794 NAME: Mexacarbate 4960 NAME: Mexacarbate
4961 IONMODE: positive
4795 FORMULA: C12H18N2O2 4962 FORMULA: C12H18N2O2
4796 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N 4963 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
4797 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O 4964 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O
4798 RETENTIONTIME: 1.682191 4965 RETENTIONTIME: 1.682191
4799 PRECURSORMZ: 223.1443 4966 PRECURSORMZ: 223.1443
4805 150.092 1572118.0 4972 150.092 1572118.0
4806 151.09932 54847764.0 4973 151.09932 54847764.0
4807 166.12282 1541928.0 4974 166.12282 1541928.0
4808 4975
4809 NAME: Monceren 4976 NAME: Monceren
4977 IONMODE: positive
4810 FORMULA: C19H21N2OCl 4978 FORMULA: C19H21N2OCl
4811 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N 4979 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N
4812 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1 4980 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1
4813 RETENTIONTIME: 7.14553 4981 RETENTIONTIME: 7.14553
4814 PRECURSORMZ: 329.1426 4982 PRECURSORMZ: 329.1426
4820 106.06545 446416.0 4988 106.06545 446416.0
4821 125.01307 512150.0 4989 125.01307 512150.0
4822 125.01532 37442116.0 4990 125.01532 37442116.0
4823 4991
4824 NAME: Desmedipham 4992 NAME: Desmedipham
4993 IONMODE: positive
4825 FORMULA: C16H16N2O4 4994 FORMULA: C16H16N2O4
4826 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N 4995 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
4827 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O 4996 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O
4828 RETENTIONTIME: 6.430396 4997 RETENTIONTIME: 6.430396
4829 PRECURSORMZ: 301.1192 4998 PRECURSORMZ: 301.1192
4833 136.03947 1773399.0 5002 136.03947 1773399.0
4834 154.04993 1002798.0 5003 154.04993 1002798.0
4835 182.08162 6480130.0 5004 182.08162 6480130.0
4836 5005
4837 NAME: Phenmedipham 5006 NAME: Phenmedipham
5007 IONMODE: positive
4838 FORMULA: C16H16N2O4 5008 FORMULA: C16H16N2O4
4839 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N 5009 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N
4840 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O 5010 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O
4841 RETENTIONTIME: 6.570995 5011 RETENTIONTIME: 6.570995
4842 PRECURSORMZ: 301.1185 5012 PRECURSORMZ: 301.1185