Mercurial > repos > recetox > matchms_formatter

comparison test-data/convert/ms_lima_output.msp @ 11:ae45992f969e draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit b1cc1aebf796f170d93e3dd46ffcdefdc7b8018a
author recetox
date Thu, 12 Oct 2023 13:29:16 +0000
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10:1b09315a3f87 11:ae45992f969e
1 FORMULA: C4H10NO3PS
2 INCHIKEY: YASYVMFAVPKPKE-SECBINFHSA-N
3 SMILES: COP(=O)(N=C(O)C)SC
4 NAME: Acephate
5 RETENTIONTIME: 1.232997
6 PRECURSORMZ: 184.0194
7 PRECURSORTYPE: [M+H]+
8 INSTRUMENTTYPE: LC-ESI-Orbitrap
9 NUM PEAKS: 16
10 90.09368 1128.0
11 93.11512 1241.0
12 95.10279 1118.0
13 101.31465 1152.0
14 102.90688 1322.0
15 103.98039 1201.0
16 112.01607 12289.0
17 112.99994 38027.0
18 115.00399 1634.0
19 124.98121 922.0
20 128.97701 9208.0
21 132.57193 1350.0
22 135.84808 1428.0
23 142.99275 16419.0
24 147.94205 1750.0
25 173.5094 2353.0
26
27 FORMULA: C12H11NO2
28 INCHIKEY: CVXBEEMKQHEXEN-UHFFFAOYSA-N
29 SMILES: CN=C(Oc1cccc2c1cccc2)O
30 NAME: Carbaryl
31 RETENTIONTIME: 5.259445
32 PRECURSORMZ: 202.0863
33 PRECURSORTYPE: [M+H]+
34 INSTRUMENTTYPE: LC-ESI-Orbitrap
35 NUM PEAKS: 1
36 145.06491 1326147.0
37
38 FORMULA: C8H16NO5P
39 INCHIKEY: VEENJGZXVHKXNB-UHFFFAOYSA-N
40 SMILES: COP(=O)(OC(=CC(=O)N(C)C)C)OC
41 NAME: Dicrotophos
42 RETENTIONTIME: 2.025499
43 PRECURSORMZ: 238.0844
44 PRECURSORTYPE: [M+H]+
45 INSTRUMENTTYPE: LC-ESI-Orbitrap
46 NUM PEAKS: 5
47 112.074 102027.0
48 112.07591 9070987.0
49 127.01563 3230337.0
50 193.02605 7897744.0
51 238.08437 2973124.0
52
53 FORMULA: C5H12NO3PS2
54 INCHIKEY: MCWXGJITAZMZEV-UHFFFAOYSA-N
55 SMILES: CN=C(CSP(=S)(OC)OC)O
56 NAME: Dimethoate
57 RETENTIONTIME: 2.866696
58 PRECURSORMZ: 230.0072
59 PRECURSORTYPE: [M+H]+
60 INSTRUMENTTYPE: LC-ESI-Orbitrap
61 NUM PEAKS: 8
62 88.0219 548446.0
63 124.98233 183861.0
64 142.99275 722053.0
65 156.95422 80792.0
66 170.97 1426256.0
67 197.98123 240915.0
68 198.96501 5415933.0
69 230.00722 497851.0
70
71 FORMULA: C21H22NO4Cl
72 INCHIKEY: QNBTYORWCCMPQP-UHFFFAOYSA-N
73 SMILES: COc1cc(ccc1OC)C(=CC(=O)N1CCOCC1)c1ccc(cc1)Cl
74 NAME: Dimethomorph
75 RETENTIONTIME: 7.060486
76 PRECURSORMZ: 388.1316
77 PRECURSORTYPE: [M+H]+
78 INSTRUMENTTYPE: LC-ESI-Orbitrap
79 NUM PEAKS: 22
80 114.05532 468862.0
81 125.01571 886745.0
82 138.99484 4138370.0
83 155.0705 425164.0
84 165.05519 15513399.0
85 165.06543 350695.0
86 195.08057 386226.0
87 215.0262 490061.0
88 223.07544 702025.0
89 227.02576 230514.0
90 229.04225 216308.0
91 235.07555 241142.0
92 238.09914 1323577.0
93 242.04929 2449236.0
94 243.02142 891584.0
95 257.03726 578874.0
96 258.04443 3232295.0
97 266.0943 358273.0
98 270.04492 608851.0
99 273.06772 3866006.0
100 286.03912 483547.0
101 301.06311 4060551.0
102
103 FORMULA: C2H8NO2PS
104 INCHIKEY: NNKVPIKMPCQWCG-ZCFIWIBFSA-N
105 SMILES: COP(=O)(SC)N
106 NAME: Methamidophos
107 RETENTIONTIME: 1.153307
108 PRECURSORMZ: 142.0089
109 PRECURSORTYPE: [M+H]+
110 INSTRUMENTTYPE: LC-ESI-Orbitrap
111 NUM PEAKS: 4
112 98.00042 37721.0
113 109.98272 71172.0
114 112.01607 2867923.0
115 127.99321 75837.0
116
117 FORMULA: C7H13O6P
118 INCHIKEY: GEPDYQSQVLXLEU-UHFFFAOYSA-N
119 SMILES: COC(=O)C=C(OP(=O)(OC)OC)C
120 NAME: Mevinphos
121 RETENTIONTIME: 2.876307
122 PRECURSORMZ: 225.0525
123 PRECURSORTYPE: [M+H]+
124 INSTRUMENTTYPE: LC-ESI-Orbitrap
125 NUM PEAKS: 4
126 99.04416 295529.0
127 127.01563 1960973.0
128 193.02605 1150190.0
129 225.05209 101872.0
130
131 FORMULA: C5H12NO4PS
132 INCHIKEY: PZXOQEXFMJCDPG-UHFFFAOYSA-N
133 SMILES: CN=C(CSP(=O)(OC)OC)O
134 NAME: Omethoate
135 RETENTIONTIME: 1.33423
136 PRECURSORMZ: 214.0303
137 PRECURSORTYPE: [M+H]+
138 INSTRUMENTTYPE: LC-ESI-Orbitrap
139 NUM PEAKS: 5
140 104.01654 86844.0
141 124.98233 194375.0
142 127.01563 4696021.0
143 128.97701 47970.0
144 142.99275 4310988.0
145
146 FORMULA: C16H20O6P2S3
147 INCHIKEY: WWJZWCUNLNYYAU-UHFFFAOYSA-N
148 SMILES: COP(=S)(Oc1ccc(cc1)Sc1ccc(cc1)OP(=S)(OC)OC)OC
149 NAME: Temephos
150 RETENTIONTIME: 7.736881
151 PRECURSORMZ: 466.9978
152 PRECURSORTYPE: [M+H]+
153 INSTRUMENTTYPE: LC-ESI-Orbitrap
154 NUM PEAKS: 44
155 124.98233 218400.0
156 125.00596 124192.0
157 127.01563 590561.0
158 139.02167 79978.0
159 139.05467 105470.0
160 140.95975 428071.0
161 142.99275 7482486.0
162 154.99849 619650.0
163 157.00861 365474.0
164 171.02641 502869.0
165 172.03448 151150.0
166 183.02695 176056.0
167 184.03453 206568.0
168 187.02121 240339.0
169 199.02151 245544.0
170 200.02902 385101.0
171 201.03729 198527.0
172 211.03268 88063.0
173 215.01689 538632.0
174 217.03214 259530.0
175 218.98798 87371.0
176 219.02972 94609.0
177 230.99336 108101.0
178 232.03233 244260.0
179 233.00958 88058.0
180 247.02538 224924.0
181 248.03291 127038.0
182 261.98486 132283.0
183 262.99268 185876.0
184 264.00052 186556.0
185 278.98856 208891.0
186 293.00336 81563.0
187 293.99384 84250.0
188 294.96494 87413.0
189 296.99844 481380.0
190 298.0065 151600.0
191 311.01453 119733.0
192 313.01282 181581.0
193 327.99893 299098.0
194 341.00787 2218540.0
195 342.01566 293721.0
196 356.03104 227870.0
197 357.03922 75786.0
198 387.9765 125383.0
199
200 FORMULA: C4H8O4Cl3P
201 INCHIKEY: NFACJZMKEDPNKN-VKHMYHEASA-N
202 SMILES: COP(=O)(C(C(Cl)(Cl)Cl)O)OC
203 NAME: Trichlorfon
204 RETENTIONTIME: 2.242985
205 PRECURSORMZ: 256.9308
206 PRECURSORTYPE: [M+H]+
207 INSTRUMENTTYPE: LC-ESI-Orbitrap
208 NUM PEAKS: 4
209 93.01007 104589.0
210 97.00512 72293.0
211 112.99994 32292.0
212 127.01563 3150219.0
213
214 FORMULA: C8H18NO4PS2
215 INCHIKEY: LESVOLZBIFDZGS-ZETCQYMHSA-N
216 SMILES: CN=C(C(SCCSP(=O)(OC)OC)C)O
217 NAME: Vamidothion
218 RETENTIONTIME: 2.914602
219 PRECURSORMZ: 288.0491
220 PRECURSORTYPE: [M+H]+
221 INSTRUMENTTYPE: LC-ESI-Orbitrap
222 NUM PEAKS: 3
223 118.03215 464396.0
224 146.06366 10321336.0
225 288.04907 1456244.0
226
227 FORMULA: C7H14N2O4S
228 INCHIKEY: YRRKLBAKDXSTNC-UHFFFAOYSA-N
229 SMILES: CN=C(ON=CC(S(=O)(=O)C)(C)C)O
230 NAME: Aldicarb sulfone
231 RETENTIONTIME: 1.483623
232 PRECURSORMZ: 223.075
233 PRECURSORTYPE: [M+H]+
234 INSTRUMENTTYPE: LC-ESI-Orbitrap
235 NUM PEAKS: 9
236 86.06018 763151.0
237 106.03234 330646.0
238 120.04782 16624.0
239 148.03964 11931.0
240 148.04301 1170924.0
241 166.05334 738329.0
242 208.9567 12192.0
243 223.06381 99297.0
244 223.07454 90546.0
245
246 FORMULA: C20H30N2O5S
247 INCHIKEY: FYZBOYWSHKHDMT-UHFFFAOYSA-N
248 SMILES: CCOC(=O)CCN(C(C)C)SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C
249 NAME: Benfuracarb
250 RETENTIONTIME: 7.163228
251 PRECURSORMZ: 411.1956
252 PRECURSORTYPE: [M+H]+
253 INSTRUMENTTYPE: LC-ESI-Orbitrap
254 NUM PEAKS: 22
255 90.03748 30498.0
256 102.00096 69259.0
257 109.02874 31641.0
258 111.08049 29319.0
259 112.07591 44046.0
260 115.05431 43630.0
261 116.07085 30236.0
262 125.00558 53990.0
263 133.0649 58728.0
264 137.05998 23811.0
265 143.04921 51685.0
266 144.05734 107852.0
267 149.04198 61180.0
268 153.0369 175741.0
269 158.11797 70456.0
270 161.06012 99721.0
271 162.0676 971826.0
272 167.01654 45521.0
273 167.05246 131346.0
274 171.0114 23364.0
275 177.03709 172641.0
276 195.04765 2265269.0
277
278 FORMULA: C7H14N2O4S
279 INCHIKEY: CTJBHIROCMPUKL-HOITVRGQSA-N
280 SMILES: CN=C(ON=C(C(S(=O)(=O)C)C)C)O
281 NAME: Butoxycarboxim
282 RETENTIONTIME: 1.483623
283 PRECURSORMZ: 223.075
284 PRECURSORTYPE: [M+H]+
285 INSTRUMENTTYPE: LC-ESI-Orbitrap
286 NUM PEAKS: 9
287 86.06018 763151.0
288 106.03234 330646.0
289 120.04782 16624.0
290 148.03964 11931.0
291 148.04301 1170924.0
292 166.05334 738329.0
293 208.9567 12192.0
294 223.06381 99297.0
295 223.07454 90546.0
296
297 FORMULA: C18H26N2O5S
298 INCHIKEY: HAWJXYBZNNRMNO-UHFFFAOYSA-N
299 SMILES: CCCCOC(=O)N(SN(C(=O)Oc1cccc2c1OC(C2)(C)C)C)C
300 NAME: Furathiocarb
301 RETENTIONTIME: 7.19165
302 PRECURSORMZ: 383.1642
303 PRECURSORTYPE: [M+H]+
304 INSTRUMENTTYPE: LC-ESI-Orbitrap
305 NUM PEAKS: 49
306 87.02665 170322.0
307 90.03748 426298.0
308 91.05442 232061.0
309 95.04954 175219.0
310 97.01102 504855.0
311 105.0702 848188.0
312 107.04936 404555.0
313 107.08593 329012.0
314 109.02874 370826.0
315 109.0651 289619.0
316 111.0808 200502.0
317 115.05464 651489.0
318 116.06246 367386.0
319 117.07032 300497.0
320 118.07793 135317.0
321 121.06524 216247.0
322 122.03665 593314.0
323 123.04434 862460.0
324 125.00596 4842440.0
325 131.04935 572523.0
326 133.0649 1461373.0
327 134.01871 277355.0
328 134.07285 254631.0
329 135.08093 991426.0
330 137.05998 186090.0
331 139.02167 356706.0
332 139.05775 475631.0
333 143.04967 427124.0
334 144.05734 1163702.0
335 145.0649 273080.0
336 146.07314 822073.0
337 147.04451 460929.0
338 147.08089 234097.0
339 149.00584 154496.0
340 149.04247 1446405.0
341 149.06004 3536863.0
342 153.00082 192002.0
343 153.0374 1282857.0
344 161.06012 1492726.0
345 162.0676 9461931.0
346 163.07562 216378.0
347 164.08348 6924294.0
348 165.09103 228313.0
349 167.01654 354658.0
350 167.05304 10929155.0
351 171.0114 128914.0
352 177.03709 3978125.0
353 180.02414 213051.0
354 195.04765 11849349.0
355
356 FORMULA: C10H11N3OS
357 INCHIKEY: RRVIAQKBTUQODI-UHFFFAOYSA-N
358 SMILES: CN=C(N(c1nc2c(s1)cccc2)C)O
359 NAME: Methabenzthiazuron
360 RETENTIONTIME: 6.711947
361 PRECURSORMZ: 222.0702
362 PRECURSORTYPE: [M+H]+
363 INSTRUMENTTYPE: LC-ESI-Orbitrap
364 NUM PEAKS: 8
365 92.0498 456372.0
366 109.01102 367319.0
367 123.01394 375280.0
368 124.02193 2568680.0
369 132.06825 123566.0
370 150.02492 9399192.0
371 163.03316 152108.0
372 165.04836 9598566.0
373
374 FORMULA: C9H16N4OS
375 INCHIKEY: HBPDKDSFLXWOAE-UHFFFAOYSA-N
376 SMILES: CN=C(N(c1nnc(s1)C(C)(C)C)C)O
377 NAME: Tebuthiuron
378 RETENTIONTIME: 4.241355
379 PRECURSORMZ: 229.1121
380 PRECURSORTYPE: [M+H]+
381 INSTRUMENTTYPE: LC-ESI-Orbitrap
382 NUM PEAKS: 9
383 88.0219 230604.0
384 89.01719 2030070.0
385 101.04233 435137.0
386 116.0279 20609154.0
387 141.04826 319289.0
388 142.04346 1851694.0
389 156.05936 1133851.0
390 157.06721 6762498.0
391 172.09081 12592908.0
392
393 FORMULA: C9H8N4OS
394 INCHIKEY: HFCYZXMHUIHAQI-UHFFFAOYSA-N
395 SMILES: OC(=Nc1ccccc1)Nc1cnns1
396 NAME: Thidiazuron
397 RETENTIONTIME: 4.909884
398 PRECURSORMZ: 221.0497
399 PRECURSORTYPE: [M+H]+
400 INSTRUMENTTYPE: LC-ESI-Orbitrap
401 NUM PEAKS: 7
402 92.04957 154355.0
403 94.0652 188105.0
404 95.04929 172328.0
405 102.0123 2547264.0
406 105.04477 127605.0
407 120.04464 76344.0
408 127.99126 615346.0
409
410 FORMULA: C11H15NO2S
411 INCHIKEY: HEZNVIYQEUHLNI-UHFFFAOYSA-N
412 SMILES: CCSCc1ccccc1OC(=NC)O
413 NAME: Ethiofencarb
414 RETENTIONTIME: 5.074083
415 PRECURSORMZ: 226.09
416 PRECURSORTYPE: [M+H]+
417 INSTRUMENTTYPE: LC-ESI-Orbitrap
418 NUM PEAKS: 6
419 95.04929 42106.0
420 105.04477 32913.0
421 107.04936 243964.0
422 120.08101 4266.0
423 134.0966 5759.0
424 147.93529 2678.0
425
426 FORMULA: C11H15NO2S
427 INCHIKEY: YFBPRJGDJKVWAH-UHFFFAOYSA-N
428 SMILES: CN=C(Oc1cc(C)c(c(c1)C)SC)O
429 NAME: Methiocarb
430 RETENTIONTIME: 6.352629
431 PRECURSORMZ: 226.0899
432 PRECURSORTYPE: [M+H]+
433 INSTRUMENTTYPE: LC-ESI-Orbitrap
434 NUM PEAKS: 4
435 121.06488 799606.0
436 122.07284 96691.0
437 169.06853 4882474.0
438 226.08951 145633.0
439
440 FORMULA: C12H15NO3
441 INCHIKEY: DUEPRVBVGDRKAG-UHFFFAOYSA-N
442 SMILES: CN=C(Oc1cccc2c1OC(C2)(C)C)O
443 NAME: Carbofuran
444 RETENTIONTIME: 4.14677
445 PRECURSORMZ: 222.1128
446 PRECURSORTYPE: [M+H]+
447 INSTRUMENTTYPE: LC-ESI-Orbitrap
448 NUM PEAKS: 10
449 91.05442 804154.0
450 95.04929 737907.0
451 105.03379 225770.0
452 105.04506 153330.0
453 111.04436 105844.0
454 119.04944 164758.0
455 119.0857 227890.0
456 123.04434 10121862.0
457 137.05997 448261.0
458 147.08089 104307.0
459
460 FORMULA: C15H15N2O2Cl
461 INCHIKEY: IVUXTESCPZUGJC-UHFFFAOYSA-N
462 SMILES: Clc1ccc(cc1)Oc1ccc(cc1)NC(=O)N(C)C
463 NAME: Chloroxuron
464 RETENTIONTIME: 6.824893
465 PRECURSORMZ: 291.09
466 PRECURSORTYPE: [M+H]+
467 INSTRUMENTTYPE: LC-ESI-Orbitrap
468 NUM PEAKS: 34
469 94.04169 27706.0
470 98.99973 58512.0
471 106.06546 243512.0
472 118.06519 562204.0
473 119.07315 45536.0
474 120.081 78773.0
475 126.99488 83528.0
476 128.06239 310868.0
477 129.01042 87060.0
478 139.00583 288886.0
479 145.0649 99810.0
480 146.06033 24021.0
481 147.06796 35662.0
482 149.01559 36207.0
483 152.00261 21619.0
484 154.06534 101982.0
485 155.06065 198243.0
486 155.07309 108829.0
487 163.03091 1196885.0
488 163.08679 138657.0
489 164.09476 19883.0
490 168.05711 61850.0
491 173.50755 33783.0
492 175.03131 42262.0
493 182.05989 34322.0
494 183.06813 160230.0
495 190.04181 279261.0
496 191.02574 49125.0
497 211.06313 28451.0
498 218.03699 1977628.0
499 219.04449 20961.0
500 233.15379 75598.0
501 246.03224 40845.0
502 249.18484 96150.0
503
504 FORMULA: C10H13N2OCl
505 INCHIKEY: JXCGFZXSOMJFOA-UHFFFAOYSA-N
506 SMILES: OC(=Nc1ccc(c(c1)Cl)C)N(C)C
507 NAME: Chlortoluron
508 RETENTIONTIME: 5.193264
509 PRECURSORMZ: 213.0795
510 PRECURSORTYPE: [M+H]+
511 INSTRUMENTTYPE: LC-ESI-Orbitrap
512 NUM PEAKS: 14
513 89.03883 57032.0
514 95.04929 125786.0
515 96.04461 17062.0
516 98.99973 31149.0
517 104.04956 355337.0
518 105.04477 72262.0
519 105.05748 49060.0
520 113.01541 282031.0
521 125.01533 380427.0
522 132.04463 44913.0
523 133.05254 86668.0
524 140.02612 1662428.0
525 153.02165 91587.0
526 168.02145 83345.0
527
528 FORMULA: C11H22N2O
529 INCHIKEY: DQZCVNGCTZLGAQ-UHFFFAOYSA-N
530 SMILES: CN(C(=NC1CCCCCCC1)O)C
531 NAME: Cycluron
532 RETENTIONTIME: 5.00998
533 PRECURSORMZ: 199.1809
534 PRECURSORTYPE: [M+H]+
535 INSTRUMENTTYPE: LC-ESI-Orbitrap
536 NUM PEAKS: 4
537 89.07108 1303776.0
538 111.11694 18709.0
539 147.92079 14411.0
540 147.93768 15209.0
541
542 FORMULA: C14H21NO4
543 INCHIKEY: LNJNFVJKDJYTEU-UHFFFAOYSA-N
544 SMILES: CCOc1cc(ccc1OCC)N=C(OC(C)C)O
545 NAME: Diethofencarb
546 RETENTIONTIME: 6.124817
547 PRECURSORMZ: 268.1547
548 PRECURSORTYPE: [M+H]+
549 INSTRUMENTTYPE: LC-ESI-Orbitrap
550 NUM PEAKS: 7
551 152.07103 98482.0
552 180.06563 117586.0
553 180.10194 441784.0
554 198.0762 507187.0
555 208.09682 172166.0
556 226.10776 6612320.0
557 268.15411 115526.0
558
559 FORMULA: C14H9N2O2ClF2
560 INCHIKEY: QQQYTWIFVNKMRW-UHFFFAOYSA-N
561 SMILES: O=C(Nc1ccc(cc1)Cl)N=C(c1c(F)cccc1F)O
562 NAME: Diflubenzuron
563 RETENTIONTIME: 6.959446
564 PRECURSORMZ: 311.0396
565 PRECURSORTYPE: [M+H]+
566 INSTRUMENTTYPE: LC-ESI-Orbitrap
567 NUM PEAKS: 3
568 141.01498 340685.0
569 158.04167 9035608.0
570 311.03952 2283440.0
571
572 FORMULA: C9H10N2OCl2
573 INCHIKEY: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
574 SMILES: OC(=Nc1ccc(c(c1)Cl)Cl)N(C)C
575 NAME: Diuron
576 RETENTIONTIME: 5.711479
577 PRECURSORMZ: 233.0248
578 PRECURSORTYPE: [M+H]+
579 INSTRUMENTTYPE: LC-ESI-Orbitrap
580 NUM PEAKS: 8
581 123.99487 30141.0
582 125.00295 82231.0
583 132.96072 233186.0
584 151.03258 25890.0
585 152.99777 66942.0
586 159.97182 940217.0
587 172.96721 73012.0
588 187.96654 38425.0
589
590 FORMULA: C11H13NO4
591 INCHIKEY: SDKQRNRRDYRQKY-UHFFFAOYSA-N
592 SMILES: CN=C(Oc1ccccc1C1OCCO1)O
593 NAME: Dioxacarb
594 RETENTIONTIME: 2.808769
595 PRECURSORMZ: 224.092
596 PRECURSORTYPE: [M+H]+
597 INSTRUMENTTYPE: LC-ESI-Orbitrap
598 NUM PEAKS: 6
599 95.04929 26554.0
600 123.04434 805609.0
601 162.05486 264649.0
602 167.07042 1519113.0
603 208.95668 21966.0
604 224.12801 18664.0
605
606 FORMULA: C11H13NO4
607 INCHIKEY: XEGGRYVFLWGFHI-UHFFFAOYSA-N
608 SMILES: CN=C(Oc1cccc2c1OC(O2)(C)C)O
609 NAME: Bendiocarb
610 RETENTIONTIME: 4.036841
611 PRECURSORMZ: 224.092
612 PRECURSORTYPE: [M+H]+
613 INSTRUMENTTYPE: LC-ESI-Orbitrap
614 NUM PEAKS: 4
615 109.02843 576717.0
616 167.07042 2075283.0
617 224.092 50305.0
618 224.12801 22894.0
619
620 FORMULA: C12H17NO2
621 INCHIKEY: DIRFUJHNVNOBMY-VIFPVBQESA-N
622 SMILES: CCC(c1ccccc1OC(=NC)O)C
623 NAME: Fenobucarb
624 RETENTIONTIME: 5.279047
625 PRECURSORMZ: 208.1339
626 PRECURSORTYPE: [M+H]+
627 INSTRUMENTTYPE: LC-ESI-Orbitrap
628 NUM PEAKS: 5
629 95.04929 2304002.0
630 151.1118 339052.0
631 152.07103 1283617.0
632 208.13309 261671.0
633 208.15242 67196.0
634
635 FORMULA: C21H11N2O3ClF6
636 INCHIKEY: RYLHNOVXKPXDIP-UHFFFAOYSA-N
637 SMILES: OC(=Nc1ccc(cc1F)Oc1ccc(cc1Cl)C(F)(F)F)N=C(c1c(F)cccc1F)O
638 NAME: Flufenoxuron
639 RETENTIONTIME: 7.258582
640 PRECURSORMZ: 489.044
641 PRECURSORTYPE: [M+H]+
642 INSTRUMENTTYPE: LC-ESI-Orbitrap
643 NUM PEAKS: 9
644 140.03102 198040.0
645 141.01498 8731300.0
646 141.02489 125031.0
647 158.04167 5469943.0
648 306.03055 226666.0
649 326.76685 460767.0
650 328.76389 301405.0
651 407.68225 401379.0
652 409.68002 103253.0
653
654 FORMULA: C10H11N2OF3
655 INCHIKEY: RZILCCPWPBTYDO-UHFFFAOYSA-N
656 SMILES: OC(=Nc1cccc(c1)C(F)(F)F)N(C)C
657 NAME: Fluometuron
658 RETENTIONTIME: 4.295248
659 PRECURSORMZ: 233.0903
660 PRECURSORTYPE: [M+H]+
661 INSTRUMENTTYPE: LC-ESI-Orbitrap
662 NUM PEAKS: 14
663 133.02617 72647.0
664 140.03056 412576.0
665 141.02579 30382.0
666 145.02599 1001995.0
667 148.03093 43335.0
668 160.03375 16242.0
669 160.037 1435798.0
670 163.0365 19807.0
671 168.02554 576288.0
672 173.03194 272722.0
673 173.50755 34131.0
674 178.04784 113811.0
675 188.03226 109696.0
676 192.06305 82452.0
677
678 FORMULA: C12H10N3OCl
679 INCHIKEY: GPXLRLUVLMHHIK-UHFFFAOYSA-N
680 SMILES: OC(=Nc1ccccc1)Nc1ccnc(c1)Cl
681 NAME: Forchlorfenuron
682 RETENTIONTIME: 6.068144
683 PRECURSORMZ: 248.0593
684 PRECURSORTYPE: [M+H]+
685 INSTRUMENTTYPE: LC-ESI-Orbitrap
686 NUM PEAKS: 6
687 93.04498 1144138.0
688 94.06544 222850.0
689 111.05567 15214406.0
690 129.02182 20609304.0
691 137.03458 1954463.0
692 155.00107 2962225.0
693
694 FORMULA: C12H15NO4
695 INCHIKEY: RHSUJRQZTQNSLL-JTQLQIEISA-N
696 SMILES: CN=C(Oc1cccc2c1OC(C2O)(C)C)O
697 NAME: 3-Hydroxycarbofuran
698 RETENTIONTIME: 2.534817
699 PRECURSORMZ: 238.1075
700 PRECURSORTYPE: [M+H]+
701 INSTRUMENTTYPE: LC-ESI-Orbitrap
702 NUM PEAKS: 7
703 135.08051 61121.0
704 163.07562 1270756.0
705 181.08611 3459316.0
706 207.06541 67306.0
707 208.95668 38515.0
708 220.09669 446913.0
709 238.10802 398788.0
710
711 FORMULA: C22H17N3O7ClF3
712 INCHIKEY: VBCVPMMZEGZULK-NRFANRHFSA-N
713 SMILES: COC(=O)N(C(=O)N1COC2(C(=N1)c1ccc(cc1C2)Cl)C(=O)OC)c1ccc(cc1)OC(F)(F)F
714 NAME: Indoxacarb
715 RETENTIONTIME: 7.23968
716 PRECURSORMZ: 528.0795
717 PRECURSORTYPE: [M+H]+
718 INSTRUMENTTYPE: LC-ESI-Orbitrap
719 NUM PEAKS: 38
720 104.04956 303700.0
721 127.04175 99545.0
722 128.06201 117126.0
723 132.04463 290691.0
724 134.0237 264912.0
725 137.0152 94534.0
726 142.06526 75186.0
727 149.01559 214826.0
728 150.0106 1405054.0
729 155.06065 232073.0
730 160.05058 254333.0
731 162.01057 1521152.0
732 163.01862 86648.0
733 163.03091 132653.0
734 164.02652 208730.0
735 165.03412 90438.0
736 167.0258 357529.0
737 168.02145 1690027.0
738 174.99464 101678.0
739 177.01054 92638.0
740 177.03394 231314.0
741 179.02611 358184.0
742 180.02089 413839.0
743 182.03682 119810.0
744 189.02151 643960.0
745 190.00526 1446936.0
746 190.04744 486518.0
747 194.03688 93119.0
748 195.02061 551503.0
749 203.01863 7362278.0
750 204.00897 308332.0
751 207.02065 269934.0
752 208.01628 221573.0
753 215.04312 81774.0
754 217.01668 489943.0
755 218.04218 536326.0
756 219.03232 457473.0
757 223.01553 87858.0
758
759 FORMULA: C18H28N2O3
760 INCHIKEY: NWUWYYSKZYIQAE-WMCAAGNKSA-N
761 SMILES: CC(OC(=NC(C(=NC(c1ccc(cc1)C)C)O)C(C)C)O)C
762 NAME: Iprovalicarb
763 RETENTIONTIME: 6.291288
764 PRECURSORMZ: 321.218
765 PRECURSORTYPE: [M+H]+
766 INSTRUMENTTYPE: LC-ESI-Orbitrap
767 NUM PEAKS: 9
768 116.07085 2061421.0
769 117.10262 213026.0
770 119.0857 8088768.0
771 144.06569 976637.0
772 158.11795 349762.0
773 161.09248 110448.0
774 186.11298 1809182.0
775 203.13902 3619220.0
776 321.21719 658523.0
777
778 FORMULA: C12H18N2O
779 INCHIKEY: PUIYMUZLKQOUOZ-UHFFFAOYSA-N
780 SMILES: O=C(N(C)C)Nc1ccc(cc1)C(C)C
781 NAME: Isoproturon
782 RETENTIONTIME: 4.953308
783 PRECURSORMZ: 207.1494
784 PRECURSORTYPE: [M+H]+
785 INSTRUMENTTYPE: LC-ESI-Orbitrap
786 NUM PEAKS: 27
787 91.05442 804905.0
788 92.04957 254047.0
789 93.0575 33128.0
790 93.07003 116103.0
791 94.06519 63492.0
792 95.04929 164116.0
793 103.05439 51947.0
794 104.0621 43995.0
795 105.04477 78368.0
796 105.06991 101627.0
797 106.06517 86652.0
798 107.08415 19657.0
799 107.08563 575392.0
800 108.08108 26529.0
801 109.0651 34575.0
802 115.05431 109513.0
803 117.06998 312366.0
804 118.06519 123299.0
805 119.0606 36796.0
806 119.07315 606574.0
807 120.04464 242145.0
808 132.08089 72884.0
809 134.0966 1730390.0
810 137.09615 58215.0
811 147.0919 129941.0
812 162.09142 42617.0
813 165.10242 74899.0
814
815 FORMULA: C9H10N2O2Cl2
816 INCHIKEY: XKJMBINCVNINCA-UHFFFAOYSA-N
817 SMILES: CON(C(=Nc1ccc(c(c1)Cl)Cl)O)C
818 NAME: Linuron
819 RETENTIONTIME: 6.428301
820 PRECURSORMZ: 249.0202
821 PRECURSORTYPE: [M+H]+
822 INSTRUMENTTYPE: LC-ESI-Orbitrap
823 NUM PEAKS: 17
824 123.99524 160993.0
825 125.00295 934482.0
826 126.01085 53171.0
827 127.0187 34132.0
828 132.96072 2098030.0
829 133.96875 42332.0
830 142.00574 58394.0
831 153.02165 907640.0
832 154.02942 31975.0
833 159.97182 1453641.0
834 160.97951 1564652.0
835 165.02161 76894.0
836 167.0009 34764.0
837 173.98759 32777.0
838 181.0168 457538.0
839 182.02429 570846.0
840 216.99352 182540.0
841
842 FORMULA: C9H11N2O2Br
843 INCHIKEY: WLFDQEVORAMCIM-UHFFFAOYSA-N
844 SMILES: CON(C(=O)Nc1ccc(cc1)Br)C
845 NAME: Metobromuron
846 RETENTIONTIME: 5.555997
847 PRECURSORMZ: 259.0081
848 PRECURSORTYPE: [M+H]+
849 INSTRUMENTTYPE: LC-ESI-Orbitrap
850 NUM PEAKS: 15
851 90.03403 60649.0
852 91.04183 2389714.0
853 92.04957 214805.0
854 93.0575 47461.0
855 110.06014 105724.0
856 119.0606 1438162.0
857 120.06829 52547.0
858 131.06062 84354.0
859 142.94916 1281698.0
860 147.05553 745419.0
861 148.06332 717928.0
862 169.95995 3654354.0
863 170.96819 2866842.0
864 183.97557 70285.0
865 226.98169 352678.0
866
867 FORMULA: C9H11N2O2Cl
868 INCHIKEY: LKJPSUCKSLORMF-UHFFFAOYSA-N
869 SMILES: CON(C(=O)Nc1ccc(cc1)Cl)C
870 NAME: Monolinuron
871 RETENTIONTIME: 5.086284
872 PRECURSORMZ: 215.0587
873 PRECURSORTYPE: [M+H]+
874 INSTRUMENTTYPE: LC-ESI-Orbitrap
875 NUM PEAKS: 16
876 90.03403 245033.0
877 91.04183 266487.0
878 92.0498 149734.0
879 93.0575 65470.0
880 98.99973 5081895.0
881 100.00744 171810.0
882 119.0606 1725493.0
883 120.06829 76212.0
884 126.01085 4292995.0
885 127.01831 4179362.0
886 131.06062 91755.0
887 140.02657 95768.0
888 141.02174 52283.0
889 147.05553 873918.0
890 148.06332 1071865.0
891 183.03224 448058.0
892
893 FORMULA: C17H19NO4
894 INCHIKEY: HJUFTIJOISQSKQ-UHFFFAOYSA-N
895 SMILES: CCOC(=NCCOc1ccc(cc1)Oc1ccccc1)O
896 NAME: Fenoxycarb
897 RETENTIONTIME: 7.007411
898 PRECURSORMZ: 302.1392
899 PRECURSORTYPE: [M+H]+
900 INSTRUMENTTYPE: LC-ESI-Orbitrap
901 NUM PEAKS: 4
902 88.03963 3398675.0
903 116.07085 7870537.0
904 256.09756 3714539.0
905 302.13986 4154405.0
906
907 FORMULA: C9H12N2O
908 INCHIKEY: XXOYNJXVWVNOOJ-UHFFFAOYSA-N
909 SMILES: CN(C(=Nc1ccccc1)O)C
910 NAME: Fenuron
911 RETENTIONTIME: 2.603287
912 PRECURSORMZ: 165.1026
913 PRECURSORTYPE: [M+H]+
914 INSTRUMENTTYPE: LC-ESI-Orbitrap
915 NUM PEAKS: 8
916 90.94795 13666.0
917 92.04957 465012.0
918 93.0575 10288.0
919 95.0478 10698.0
920 95.04929 620773.0
921 104.96333 7099.0
922 105.04477 391134.0
923 120.04464 89335.0
924
925 FORMULA: C11H15NO2
926 INCHIKEY: QBSJMKIUCUGGNG-UHFFFAOYSA-N
927 SMILES: CN=C(Oc1ccccc1C(C)C)O
928 NAME: Isoprocarb
929 RETENTIONTIME: 4.552796
930 PRECURSORMZ: 194.1181
931 PRECURSORTYPE: [M+H]+
932 INSTRUMENTTYPE: LC-ESI-Orbitrap
933 NUM PEAKS: 4
934 95.04929 1741248.0
935 137.09615 1255669.0
936 152.07103 658146.0
937 194.11743 393850.0
938
939 FORMULA: C19H18N3O4Cl
940 INCHIKEY: HZRSNVGNWUDEFX-UHFFFAOYSA-N
941 SMILES: COC(=O)N(c1ccccc1COc1ccn(n1)c1ccc(cc1)Cl)OC
942 NAME: Pyraclostrobin
943 RETENTIONTIME: 7.421628
944 PRECURSORMZ: 388.107
945 PRECURSORTYPE: [M+H]+
946 INSTRUMENTTYPE: LC-ESI-Orbitrap
947 NUM PEAKS: 11
948 162.0554 983545.0
949 163.06332 1950324.0
950 164.07108 4818863.0
951 194.08186 23217608.0
952 296.05423 282175.0
953 296.05969 5986147.0
954 324.05402 1024635.0
955 356.07611 701579.0
956 356.08151 2958382.0
957 357.08807 317478.0
958 388.10776 6476718.0
959
960 FORMULA: C14H20N2O
961 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
962 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
963 NAME: Siduron_1
964 RETENTIONTIME: 5.922128
965 PRECURSORMZ: 233.1652
966 PRECURSORTYPE: [M+H]+
967 INSTRUMENTTYPE: LC-ESI-Orbitrap
968 NUM PEAKS: 8
969 92.0498 933541.0
970 93.0575 170423.0
971 94.06544 14211722.0
972 95.04929 2073643.0
973 97.10134 599721.0
974 105.04506 1075144.0
975 120.04464 1602718.0
976 137.07117 1760320.0
977
978 FORMULA: C14H20N2O
979 INCHIKEY: JXVIIQLNUPXOII-UHFFFAOYSA-N
980 SMILES: CC1CCCCC1NC(=Nc1ccccc1)O
981 NAME: Siduron_2
982 RETENTIONTIME: 6.048454
983 PRECURSORMZ: 233.1654
984 PRECURSORTYPE: [M+H]+
985 INSTRUMENTTYPE: LC-ESI-Orbitrap
986 NUM PEAKS: 8
987 92.04957 227079.0
988 93.0575 48287.0
989 94.06519 3308508.0
990 95.04929 491391.0
991 97.10134 147324.0
992 105.04477 331107.0
993 120.04464 414038.0
994 137.07117 494688.0
995
996 FORMULA: C12H16NOClS
997 INCHIKEY: QHTQREMOGMZHJV-UHFFFAOYSA-N
998 SMILES: CCN(C(=O)SCc1ccc(cc1)Cl)CC
999 NAME: Thiobencarb
1000 RETENTIONTIME: 7.094566
1001 PRECURSORMZ: 258.0717
1002 PRECURSORTYPE: [M+H]+
1003 INSTRUMENTTYPE: LC-ESI-Orbitrap
1004 NUM PEAKS: 3
1005 89.03883 1114558.0
1006 98.99973 585236.0
1007 125.01533 28327212.0
1008
1009 FORMULA: C15H10N2O3ClF3
1010 INCHIKEY: XAIPTRIXGHTTNT-UHFFFAOYSA-N
1011 SMILES: O=C(N=C(c1ccccc1Cl)O)Nc1ccc(cc1)OC(F)(F)F
1012 NAME: Triflumuron
1013 RETENTIONTIME: 6.978649
1014 PRECURSORMZ: 359.0412
1015 PRECURSORTYPE: [M+H]+
1016 INSTRUMENTTYPE: LC-ESI-Orbitrap
1017 NUM PEAKS: 7
1018 113.01541 658622.0
1019 129.01042 138249.0
1020 138.011 140957.0
1021 138.99484 9851099.0
1022 139.00452 474854.0
1023 156.02116 3353307.0
1024 178.04784 200379.0
1025
1026 FORMULA: C10H13NO2
1027 INCHIKEY: VXPLXMJHHKHSOA-UHFFFAOYSA-N
1028 SMILES: CC(OC(=Nc1ccccc1)O)C
1029 NAME: Propham
1030 RETENTIONTIME: 6.134321
1031 PRECURSORMZ: 180.1022
1032 PRECURSORTYPE: [M+H]+
1033 INSTRUMENTTYPE: LC-ESI-Orbitrap
1034 NUM PEAKS: 13
1035 91.05442 8291.0
1036 93.0575 2806.0
1037 95.04929 8647.0
1038 96.04461 67785.0
1039 97.02845 206258.0
1040 105.0335 4841.0
1041 105.04477 6538.0
1042 106.02882 185730.0
1043 109.02843 2611.0
1044 117.0574 2236.0
1045 124.03935 187312.0
1046 134.0237 14609.0
1047 152.0343 3135.0
1048
1049 FORMULA: C11H15NO3
1050 INCHIKEY: ISRUGXGCCGIOQO-UHFFFAOYSA-N
1051 SMILES: CN=C(Oc1ccccc1OC(C)C)O
1052 NAME: Propoxur
1053 RETENTIONTIME: 3.894733
1054 PRECURSORMZ: 210.1129
1055 PRECURSORTYPE: [M+H]+
1056 INSTRUMENTTYPE: LC-ESI-Orbitrap
1057 NUM PEAKS: 6
1058 93.03366 11976.0
1059 111.04436 1112660.0
1060 153.09126 254920.0
1061 168.06589 785437.0
1062 199.97662 26875.0
1063 210.11256 38244.0
1064
1065 FORMULA: C12H16N2OCl2
1066 INCHIKEY: CCGPUGMWYLICGL-UHFFFAOYSA-N
1067 SMILES: CCCCN(C(=Nc1ccc(c(c1)Cl)Cl)O)C
1068 NAME: Neburon
1069 RETENTIONTIME: 6.834164
1070 PRECURSORMZ: 275.0721
1071 PRECURSORTYPE: [M+H]+
1072 INSTRUMENTTYPE: LC-ESI-Orbitrap
1073 NUM PEAKS: 12
1074 88.11217 614563.0
1075 114.09161 31817.0
1076 123.99487 30163.0
1077 125.00258 66386.0
1078 127.01831 315476.0
1079 132.96072 198326.0
1080 152.99777 149347.0
1081 159.97182 1502459.0
1082 161.98734 127589.0
1083 172.9666 45053.0
1084 173.50816 20256.0
1085 187.96652 106090.0
1086
1087 FORMULA: C11H18N4O2
1088 INCHIKEY: YFGYUFNIOHWBOB-UHFFFAOYSA-N
1089 SMILES: CN(C(=O)Oc1nc(nc(c1C)C)N(C)C)C
1090 NAME: Pirimicarb
1091 RETENTIONTIME: 2.886323
1092 PRECURSORMZ: 239.1508
1093 PRECURSORTYPE: [M+H]+
1094 INSTRUMENTTYPE: LC-ESI-Orbitrap
1095 NUM PEAKS: 16
1096 85.07622 1062158.0
1097 94.05271 17085.0
1098 109.07641 1234692.0
1099 123.0557 18419.0
1100 124.06345 155955.0
1101 137.07117 726268.0
1102 138.0789 659866.0
1103 139.08681 37108.0
1104 150.10287 446134.0
1105 152.08211 433568.0
1106 166.09756 38582.0
1107 167.10577 250650.0
1108 168.11327 14402.0
1109 180.11363 53047.0
1110 182.12914 1046026.0
1111 195.16029 68565.0
1112
1113 FORMULA: C12H17NO2
1114 INCHIKEY: DTAPQAJKAFRNJB-UHFFFAOYSA-N
1115 SMILES: CN=C(Oc1cc(C)cc(c1)C(C)C)O
1116 NAME: Promecarb
1117 RETENTIONTIME: 5.65392
1118 PRECURSORMZ: 208.1339
1119 PRECURSORTYPE: [M+H]+
1120 INSTRUMENTTYPE: LC-ESI-Orbitrap
1121 NUM PEAKS: 3
1122 109.0651 1911986.0
1123 151.1118 3833728.0
1124 208.13309 173991.0
1125
1126 FORMULA: C9H17N5S
1127 INCHIKEY: RQVYBGPQFYCBGX-UHFFFAOYSA-N
1128 SMILES: CCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
1129 NAME: Ametryn
1130 RETENTIONTIME: 4.38309
1131 PRECURSORMZ: 228.1282
1132 PRECURSORTYPE: [M+H]+
1133 INSTRUMENTTYPE: LC-ESI-Orbitrap
1134 NUM PEAKS: 15
1135 85.05116 494786.0
1136 91.03273 2410460.0
1137 96.05421 57071.0
1138 96.05572 4102907.0
1139 102.03746 125646.0
1140 110.04619 527391.0
1141 113.08218 433234.0
1142 116.0279 3479269.0
1143 138.07761 1659836.0
1144 140.09331 43027.0
1145 144.05919 1428619.0
1146 158.04967 1355067.0
1147 184.06534 61690.0
1148 186.08095 4152044.0
1149 228.12772 94575.0
1150
1151 FORMULA: C22H17N3O5
1152 INCHIKEY: WFDXOXNFNRHQEC-UHFFFAOYSA-N
1153 SMILES: COC=C(c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)C(=O)OC
1154 NAME: Azoxystrobin
1155 RETENTIONTIME: 6.9269
1156 PRECURSORMZ: 404.1249
1157 PRECURSORTYPE: [M+H]+
1158 INSTRUMENTTYPE: LC-ESI-Orbitrap
1159 NUM PEAKS: 46
1160 120.04499 298934.0
1161 129.04543 475852.0
1162 130.0406 263606.0
1163 133.05293 386291.0
1164 134.06076 1413032.0
1165 141.04556 164042.0
1166 143.06114 793237.0
1167 145.02927 438571.0
1168 145.0527 469026.0
1169 155.06116 174099.0
1170 156.04523 1265874.0
1171 169.04019 657911.0
1172 170.04799 171763.0
1173 171.03239 360415.0
1174 171.05582 571918.0
1175 172.03992 1796369.0
1176 173.04782 282353.0
1177 177.05542 349400.0
1178 182.04868 292236.0
1179 182.0724 305597.0
1180 183.05617 4029271.0
1181 199.05089 723420.0
1182 200.03506 1025293.0
1183 201.04263 1807636.0
1184 201.06636 510108.0
1185 210.04311 1974682.0
1186 210.0668 342264.0
1187 211.05078 355209.0
1188 216.06657 1168439.0
1189 246.07988 182890.0
1190 272.0834 1282380.0
1191 273.06769 795436.0
1192 273.0907 1168355.0
1193 274.07443 221912.0
1194 275.08304 260482.0
1195 287.08322 453884.0
1196 288.06744 172169.0
1197 300.07855 1244681.0
1198 301.08551 3241347.0
1199 312.07855 219216.0
1200 315.10245 205186.0
1201 316.10916 292099.0
1202 328.07382 3766201.0
1203 329.08087 15964814.0
1204 344.10461 2718360.0
1205 372.10004 167044.0
1206
1207 FORMULA: C20H23NO3
1208 INCHIKEY: CJPQIRJHIZUAQP-INIZCTEOSA-N
1209 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)Cc1ccccc1)C
1210 NAME: Benalaxyl
1211 RETENTIONTIME: 7.079875
1212 PRECURSORMZ: 326.1756
1213 PRECURSORTYPE: [M+H]+
1214 INSTRUMENTTYPE: LC-ESI-Orbitrap
1215 NUM PEAKS: 8
1216 91.05441 11560916.0
1217 105.0702 367839.0
1218 106.06546 647312.0
1219 120.081 385637.0
1220 121.08883 11501126.0
1221 122.09673 517871.0
1222 133.08878 546024.0
1223 148.11217 23207426.0
1224
1225 FORMULA: C18H12N2OCl2
1226 INCHIKEY: WYEMLYFITZORAB-UHFFFAOYSA-N
1227 SMILES: Clc1ccc(cc1)c1ccccc1N=C(c1cccnc1Cl)O
1228 NAME: Boscalid
1229 RETENTIONTIME: 6.811709
1230 PRECURSORMZ: 343.0408
1231 PRECURSORTYPE: [M+H]+
1232 INSTRUMENTTYPE: LC-ESI-Orbitrap
1233 NUM PEAKS: 27
1234 96.04461 588528.0
1235 111.99506 131288.0
1236 112.03961 562594.0
1237 114.01087 183518.0
1238 130.00558 256565.0
1239 139.99011 1220289.0
1240 152.06248 66998.0
1241 216.08105 60699.0
1242 227.07349 93814.0
1243 228.08148 96430.0
1244 229.08876 93365.0
1245 230.03716 77307.0
1246 238.04195 58994.0
1247 242.08464 181011.0
1248 243.09259 680474.0
1249 244.09969 317520.0
1250 253.07672 424600.0
1251 254.08458 657164.0
1252 264.05807 118437.0
1253 270.07944 187992.0
1254 271.08762 5868577.0
1255 272.09424 5476461.0
1256 279.0686 68522.0
1257 289.05276 1245064.0
1258 305.04871 107573.0
1259 306.05643 72921.0
1260 307.06335 2958245.0
1261
1262 FORMULA: C12H16N2O3
1263 INCHIKEY: AMRQXHFXNZFDCH-VIFPVBQESA-N
1264 SMILES: CCN=C(C(OC(=Nc1ccccc1)O)C)O
1265 NAME: Carbetamide
1266 RETENTIONTIME: 3.923062
1267 PRECURSORMZ: 237.1238
1268 PRECURSORTYPE: [M+H]+
1269 INSTRUMENTTYPE: LC-ESI-Orbitrap
1270 NUM PEAKS: 12
1271 85.07622 86855.0
1272 100.07591 86451.0
1273 118.08654 1614784.0
1274 120.04464 757563.0
1275 126.01047 99599.0
1276 138.05496 54640.0
1277 144.06567 88684.0
1278 164.0705 45687.0
1279 192.0659 2143350.0
1280 237.07993 102575.0
1281 237.09068 314588.0
1282 237.12401 187935.0
1283
1284 FORMULA: C15H14N3O3Cl2F3
1285 INCHIKEY: MLKCGVHIFJBRCD-JTQLQIEISA-N
1286 SMILES: CCOC(=O)C(Cc1cc(c(cc1Cl)F)n1nc(n(c1=O)C(F)F)C)Cl
1287 NAME: Carfentrazone ethyl
1288 RETENTIONTIME: 6.898515
1289 PRECURSORMZ: 412.045
1290 PRECURSORTYPE: [M+H]+
1291 INSTRUMENTTYPE: LC-ESI-Orbitrap
1292 NUM PEAKS: 75
1293 87.03558 102938.0
1294 92.03108 108928.0
1295 140.99028 93612.0
1296 168.00159 290200.0
1297 168.98535 256214.0
1298 169.00954 280404.0
1299 169.99326 139258.0
1300 176.0387 59605.0
1301 176.96758 2472383.0
1302 183.0123 267100.0
1303 183.99632 81664.0
1304 186.01216 91455.0
1305 194.98845 136592.0
1306 195.99637 326492.0
1307 197.00471 52605.0
1308 201.9623 154634.0
1309 203.97847 447264.0
1310 204.96245 1832179.0
1311 206.02895 92544.0
1312 207.03662 171674.0
1313 209.02803 384802.0
1314 209.99982 113563.0
1315 211.00719 472507.0
1316 212.01517 66934.0
1317 213.00288 312895.0
1318 214.01096 51013.0
1319 215.02534 55407.0
1320 220.9915 95557.0
1321 221.97609 58129.0
1322 222.00006 181469.0
1323 223.00748 74723.0
1324 223.9912 1241221.0
1325 226.03568 99992.0
1326 227.98999 56867.0
1327 228.9734 154659.0
1328 228.99759 849754.0
1329 229.9576 291454.0
1330 230.96507 364210.0
1331 231.97353 309882.0
1332 232.98094 634253.0
1333 233.00957 190835.0
1334 233.99303 64478.0
1335 236.01566 50291.0
1336 239.00291 79639.0
1337 240.99757 4112806.0
1338 242.00581 1279056.0
1339 246.98367 100821.0
1340 248.98016 83634.0
1341 248.9865 48588.0
1342 249.9944 112801.0
1343 251.02658 84213.0
1344 252.03403 720952.0
1345 256.96869 464576.0
1346 257.95212 120792.0
1347 258.96021 600062.0
1348 261.00433 486923.0
1349 268.00449 56951.0
1350 268.99277 70677.0
1351 270.00082 107703.0
1352 270.98462 439596.0
1353 274.97897 367619.0
1354 276.97476 4577284.0
1355 280.02945 127558.0
1356 282.0246 396042.0
1357 284.96323 117220.0
1358 288.01102 1894072.0
1359 290.03122 319337.0
1360 298.97946 85527.0
1361 302.03137 2921622.0
1362 303.0383 181158.0
1363 316.00662 372285.0
1364 318.00153 484008.0
1365 320.04153 58056.0
1366 338.00775 410316.0
1367 345.99677 2618042.0
1368
1369 FORMULA: C18H14N5O2BrCl2
1370 INCHIKEY: PSOVNZZNOMJUBI-UHFFFAOYSA-N
1371 SMILES: CN=C(c1cc(C)cc(c1N=C(c1cc(nn1c1ncccc1Cl)Br)O)Cl)O
1372 NAME: Chlorantraniliprole
1373 RETENTIONTIME: 6.589343
1374 PRECURSORMZ: 481.9785
1375 PRECURSORTYPE: [M+H]+
1376 INSTRUMENTTYPE: LC-ESI-Orbitrap
1377 NUM PEAKS: 4
1378 283.92297 5735542.0
1379 450.93774 4907420.0
1380 463.96796 71876.0
1381 481.97949 1501231.0
1382
1383 FORMULA: C14H8N4Cl2
1384 INCHIKEY: UXADOQPNKNTIHB-UHFFFAOYSA-N
1385 SMILES: Clc1ccccc1c1nnc(nn1)c1ccccc1Cl
1386 NAME: Clofentezine
1387 RETENTIONTIME: 7.397017
1388 PRECURSORMZ: 303.0207
1389 PRECURSORTYPE: [M+H]+
1390 INSTRUMENTTYPE: LC-ESI-Orbitrap
1391 NUM PEAKS: 5
1392 92.0498 44376.0
1393 102.03414 382179.0
1394 120.04463 495630.0
1395 130.04021 2783936.0
1396 138.01057 2494447.0
1397
1398 FORMULA: C14H15N3
1399 INCHIKEY: HAORKNGNJCEJBX-UHFFFAOYSA-N
1400 SMILES: Cc1nc(Nc2ccccc2)nc(c1)C1CC1
1401 NAME: Cyprodinil
1402 RETENTIONTIME: 6.669806
1403 PRECURSORMZ: 226.1346
1404 PRECURSORTYPE: [M+H]+
1405 INSTRUMENTTYPE: LC-ESI-Orbitrap
1406 NUM PEAKS: 68
1407 89.03882 250501.0
1408 91.05441 2917894.0
1409 92.0498 1832571.0
1410 92.06236 327913.0
1411 93.0575 7935048.0
1412 94.06544 551055.0
1413 95.04928 1106686.0
1414 104.04984 578815.0
1415 105.04505 751939.0
1416 106.06546 3348979.0
1417 107.07314 366893.0
1418 108.06842 996581.0
1419 108.08108 5293585.0
1420 109.0761 435067.0
1421 110.06014 373109.0
1422 115.0543 340655.0
1423 116.0497 1136768.0
1424 117.0574 936588.0
1425 118.05279 3491518.0
1426 118.06519 1243941.0
1427 119.06059 3591314.0
1428 123.09197 364628.0
1429 124.07606 563904.0
1430 130.06528 192669.0
1431 131.06062 1377516.0
1432 132.06825 1932161.0
1433 133.07642 3211678.0
1434 134.06033 753709.0
1435 142.06525 584454.0
1436 143.06068 1778669.0
1437 143.07307 279220.0
1438 144.05594 191195.0
1439 144.08099 2104332.0
1440 145.07616 882365.0
1441 149.07127 251299.0
1442 156.06825 169085.0
1443 157.0762 329957.0
1444 158.0838 181590.0
1445 159.09198 963940.0
1446 165.06998 303199.0
1447 167.06058 287846.0
1448 167.07332 1087973.0
1449 168.06824 523675.0
1450 168.08109 896186.0
1451 169.07619 575896.0
1452 170.0843 204211.0
1453 171.09184 238779.0
1454 181.07629 410526.0
1455 182.08427 540213.0
1456 182.09682 243307.0
1457 183.07944 619682.0
1458 183.09206 583441.0
1459 184.08746 1461784.0
1460 185.10789 904319.0
1461 191.07323 180652.0
1462 193.07642 1237200.0
1463 194.08405 2240403.0
1464 196.08698 270421.0
1465 197.09528 430359.0
1466 198.10313 664506.0
1467 199.11044 212040.0
1468 207.0918 1191559.0
1469 208.10004 666594.0
1470 209.10754 1644491.0
1471 210.10275 4134248.0
1472 211.11086 699261.0
1473 224.1181 912227.0
1474 226.13422 16374867.0
1475
1476 FORMULA: C6H10N6
1477 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
1478 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
1479 NAME: Cyromazine_1
1480 RETENTIONTIME: 0.7250975
1481 PRECURSORMZ: 167.1043
1482 PRECURSORTYPE: [M+H]+
1483 INSTRUMENTTYPE: LC-ESI-Orbitrap
1484 NUM PEAKS: 9
1485 85.05116 569181.0
1486 108.05576 364390.0
1487 110.0462 49797.0
1488 125.08251 178192.0
1489 127.07288 24861.0
1490 139.07271 33973.0
1491 150.0777 7345.0
1492 151.07292 35146.0
1493 167.10403 54669.0
1494
1495 FORMULA: C6H10N6
1496 INCHIKEY: LVQDKIWDGQRHTE-UHFFFAOYSA-N
1497 SMILES: N=c1[nH]c(=NC2CC2)[nH]c(=N)[nH]1
1498 NAME: Cyromazine_2
1499 RETENTIONTIME: 1.057777
1500 PRECURSORMZ: 167.1043
1501 PRECURSORTYPE: [M+H]+
1502 INSTRUMENTTYPE: LC-ESI-Orbitrap
1503 NUM PEAKS: 12
1504 85.05095 323769.0
1505 100.08693 5287.0
1506 108.05576 223896.0
1507 110.0462 30873.0
1508 112.06189 4105.0
1509 125.08213 95867.0
1510 127.07288 11228.0
1511 139.07271 22781.0
1512 150.0777 3986.0
1513 151.07292 16833.0
1514 155.01868 3272.0
1515 167.10403 33800.0
1516
1517 FORMULA: C19H22N2O3
1518 INCHIKEY: WXUZAHCNPWONDH-UHFFFAOYSA-N
1519 SMILES: CON=C(c1ccccc1COc1cc(C)ccc1C)C(=NC)O
1520 NAME: Dimoxystrobin
1521 RETENTIONTIME: 7.042906
1522 PRECURSORMZ: 327.1716
1523 PRECURSORTYPE: [M+H]+
1524 INSTRUMENTTYPE: LC-ESI-Orbitrap
1525 NUM PEAKS: 25
1526 89.03882 267042.0
1527 91.05465 1177860.0
1528 92.05786 587003.0
1529 106.06546 63219.0
1530 116.0497 4287725.0
1531 117.0574 207058.0
1532 118.06553 62777.0
1533 121.06523 72575.0
1534 121.08883 992075.0
1535 122.09238 613096.0
1536 134.06033 559976.0
1537 135.08092 79495.0
1538 148.07639 58182.0
1539 148.11266 1671042.0
1540 149.10986 53924.0
1541 149.11572 1649040.0
1542 178.0778 129475.0
1543 180.08119 207313.0
1544 193.10162 104706.0
1545 194.09711 110382.0
1546 195.10469 223024.0
1547 221.09647 105352.0
1548 222.09152 46935.0
1549 222.10396 66419.0
1550 223.09956 719508.0
1551
1552 FORMULA: C20H22N2O
1553 INCHIKEY: DMYHGDXADUDKCQ-UHFFFAOYSA-N
1554 SMILES: CC(c1ccc(cc1)CCOc1ncnc2c1cccc2)(C)C
1555 NAME: Fenazaquin
1556 RETENTIONTIME: 7.977267
1557 PRECURSORMZ: 307.1813
1558 PRECURSORTYPE: [M+H]+
1559 INSTRUMENTTYPE: LC-ESI-Orbitrap
1560 NUM PEAKS: 14
1561 91.05441 199112.0
1562 103.05439 73599.0
1563 104.04984 64148.0
1564 105.0702 917430.0
1565 117.06997 181158.0
1566 119.0857 712865.0
1567 121.10135 76811.0
1568 130.02905 143777.0
1569 131.08598 2116571.0
1570 133.10155 485868.0
1571 145.10149 85536.0
1572 146.10915 4833104.0
1573 147.05551 4215618.0
1574 161.13255 3701806.0
1575
1576 FORMULA: C14H17NO2Cl2
1577 INCHIKEY: VDLGAVXLJYLFDH-UHFFFAOYSA-N
1578 SMILES: OC(=Nc1ccc(c(c1Cl)Cl)O)C1(C)CCCCC1
1579 NAME: Fenhexamid
1580 RETENTIONTIME: 6.679342
1581 PRECURSORMZ: 302.0717
1582 PRECURSORTYPE: [M+H]+
1583 INSTRUMENTTYPE: LC-ESI-Orbitrap
1584 NUM PEAKS: 6
1585 95.01299 111399.0
1586 97.10134 4001007.0
1587 142.00574 470488.0
1588 143.0134 1124724.0
1589 177.98218 162637.0
1590 302.0708 49250.0
1591
1592 FORMULA: C24H27N3O4
1593 INCHIKEY: YYJNOYZRYGDPNH-UHFFFAOYSA-N
1594 SMILES: Cc1nn(c(c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C)Oc1ccccc1)C
1595 NAME: Fenpyroximate
1596 RETENTIONTIME: 7.825895
1597 PRECURSORMZ: 422.2081
1598 PRECURSORTYPE: [M+H]+
1599 INSTRUMENTTYPE: LC-ESI-Orbitrap
1600 NUM PEAKS: 90
1601 91.04206 117996.0
1602 91.05465 106024.0
1603 92.0498 87696.0
1604 93.05774 260654.0
1605 94.04169 108699.0
1606 95.04953 62385.0
1607 95.06073 350683.0
1608 96.06861 923552.0
1609 104.04984 232471.0
1610 106.06546 218843.0
1611 107.02439 77423.0
1612 107.04966 430579.0
1613 109.04004 148437.0
1614 110.0716 266167.0
1615 111.05566 267693.0
1616 112.06348 143921.0
1617 113.07121 165810.0
1618 117.05774 475621.0
1619 118.06553 207059.0
1620 121.0638 98676.0
1621 121.07632 211577.0
1622 122.07175 1015735.0
1623 123.05569 588803.0
1624 124.05084 136544.0
1625 129.05762 234973.0
1626 130.06567 646047.0
1627 131.06102 64470.0
1628 131.07352 162979.0
1629 132.04504 124496.0
1630 132.06866 204911.0
1631 135.04469 1656891.0
1632 136.05099 82782.0
1633 137.05911 95506.0
1634 138.06671 5569473.0
1635 139.0507 103856.0
1636 141.05769 86459.0
1637 142.05298 63910.0
1638 142.0657 196862.0
1639 143.06068 233150.0
1640 143.07355 214610.0
1641 144.0448 925002.0
1642 144.06847 64229.0
1643 144.08099 258802.0
1644 145.0527 116335.0
1645 145.06537 86828.0
1646 145.07661 796518.0
1647 146.06033 143788.0
1648 146.08401 227348.0
1649 155.04976 327910.0
1650 155.06065 279544.0
1651 156.06877 75745.0
1652 157.05295 67758.0
1653 157.0614 631707.0
1654 157.0762 440265.0
1655 158.06033 63862.0
1656 158.08434 1135306.0
1657 159.06828 1092296.0
1658 159.09198 191557.0
1659 160.07613 68662.0
1660 169.07677 248853.0
1661 170.06049 475510.0
1662 170.0843 65958.0
1663 171.05582 124587.0
1664 171.09184 186652.0
1665 172.07626 63322.0
1666 172.08717 90299.0
1667 173.07166 613565.0
1668 174.07939 186701.0
1669 174.10281 124566.0
1670 183.0555 60224.0
1671 185.0714 282332.0
1672 186.05576 83272.0
1673 186.10275 837404.0
1674 187.08711 307005.0
1675 187.11115 179545.0
1676 188.08208 68182.0
1677 188.09454 56664.0
1678 189.10245 172485.0
1679 197.0715 161124.0
1680 198.07919 265419.0
1681 199.07426 148687.0
1682 199.08707 368116.0
1683 200.08215 638373.0
1684 201.10309 239504.0
1685 202.09793 790032.0
1686 214.09836 4878472.0
1687 215.10576 1548726.0
1688 230.09335 285190.0
1689 231.10078 772223.0
1690 366.14682 271014.0
1691
1692 FORMULA: C9H6N3OF3
1693 INCHIKEY: RLQJEEJISHYWON-UHFFFAOYSA-N
1694 SMILES: N#CCN=C(c1cnccc1C(F)(F)F)O
1695 NAME: Flonicamid
1696 RETENTIONTIME: 1.603478
1697 PRECURSORMZ: 230.054
1698 PRECURSORTYPE: [M+H]+
1699 INSTRUMENTTYPE: LC-ESI-Orbitrap
1700 NUM PEAKS: 22
1701 98.04052 1513015.0
1702 101.01998 130358.0
1703 126.03515 270418.0
1704 128.0309 1130827.0
1705 129.03873 894240.0
1706 134.04785 187862.0
1707 135.03584 106359.0
1708 136.04333 85854.0
1709 140.03102 72212.0
1710 144.02579 576288.0
1711 146.02148 1739781.0
1712 147.02966 723489.0
1713 148.03722 5717933.0
1714 153.04604 178370.0
1715 155.04199 750642.0
1716 156.02586 62411.0
1717 164.03217 431199.0
1718 174.01654 1374723.0
1719 175.0481 152887.0
1720 176.0318 1685318.0
1721 183.0369 1014810.0
1722 203.04269 761411.0
1723
1724 FORMULA: C21H16N4O5ClF
1725 INCHIKEY: UFEODZBUAFNAEU-UHFFFAOYSA-N
1726 SMILES: CON=C(c1ccccc1Oc1ncnc(c1F)Oc1ccccc1Cl)C1=NOCCO1
1727 NAME: Fluoxastrobin
1728 RETENTIONTIME: 7.061409
1729 PRECURSORMZ: 459.0882
1730 PRECURSORTYPE: [M+H]+
1731 INSTRUMENTTYPE: LC-ESI-Orbitrap
1732 NUM PEAKS: 85
1733 90.03426 262008.0
1734 93.0339 81235.0
1735 95.04953 126363.0
1736 104.04984 132927.0
1737 105.04505 96553.0
1738 106.02911 119639.0
1739 111.04436 132213.0
1740 118.05279 109270.0
1741 119.03689 143696.0
1742 120.04464 501451.0
1743 122.04026 150489.0
1744 129.01041 330269.0
1745 129.04503 292390.0
1746 130.02905 326516.0
1747 130.04021 649052.0
1748 132.04463 118853.0
1749 134.04034 93930.0
1750 138.011 2207225.0
1751 138.99483 184424.0
1752 139.00627 992155.0
1753 144.03229 102927.0
1754 145.04005 956703.0
1755 150.03526 1178492.0
1756 151.00616 106379.0
1757 154.04019 85122.0
1758 157.04028 88434.0
1759 159.036 96008.0
1760 160.02722 141264.0
1761 160.04352 103289.0
1762 161.03488 323066.0
1763 162.03548 140596.0
1764 162.04268 203634.0
1765 162.0554 114359.0
1766 163.00633 194952.0
1767 163.05046 168483.0
1768 164.03441 768408.0
1769 168.00159 464518.0
1770 170.03549 190735.0
1771 175.03069 390492.0
1772 176.0387 156295.0
1773 178.02998 1064297.0
1774 179.00104 397625.0
1775 183.99632 171687.0
1776 188.03847 7591765.0
1777 188.05785 92062.0
1778 189.04591 91704.0
1779 190.04181 129380.0
1780 191.02574 180590.0
1781 202.04166 121581.0
1782 205.04123 347646.0
1783 205.06093 241613.0
1784 214.00674 231209.0
1785 214.0412 97985.0
1786 216.05721 78878.0
1787 218.03612 98376.0
1788 223.00748 102872.0
1789 223.9912 115573.0
1790 225.05933 90781.0
1791 228.04449 112509.0
1792 229.02827 136264.0
1793 230.03622 724472.0
1794 240.04454 142077.0
1795 241.05283 128789.0
1796 244.05261 88750.0
1797 246.0312 274116.0
1798 251.06181 83031.0
1799 252.06947 77596.0
1800 255.03178 103007.0
1801 257.04721 91609.0
1802 266.01273 226670.0
1803 274.06223 117152.0
1804 277.06509 115503.0
1805 278.07285 221625.0
1806 279.05734 137186.0
1807 280.06467 243149.0
1808 304.0531 127719.0
1809 306.0679 3047910.0
1810 313.04251 87383.0
1811 315.03339 303129.0
1812 318.06851 266951.0
1813 331.0636 304000.0
1814 340.02972 444209.0
1815 342.04449 118004.0
1816 367.03973 216560.0
1817 383.03424 104628.0
1818
1819 FORMULA: C17H16NO2F3
1820 INCHIKEY: PTCGDEVVHUXTMP-UHFFFAOYSA-N
1821 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C(F)(F)F)O)C
1822 NAME: Flutolanil
1823 RETENTIONTIME: 6.193638
1824 PRECURSORMZ: 324.1214
1825 PRECURSORTYPE: [M+H]+
1826 INSTRUMENTTYPE: LC-ESI-Orbitrap
1827 NUM PEAKS: 12
1828 111.04436 4020810.0
1829 121.03985 3392917.0
1830 130.02905 2402830.0
1831 145.02599 877135.0
1832 166.06538 168609.0
1833 173.02094 3306207.0
1834 194.0601 203214.0
1835 214.06641 383897.0
1836 222.05511 217155.0
1837 242.05533 161728.0
1838 242.06139 15929322.0
1839 262.06796 878870.0
1840
1841 FORMULA: C17H19NO4
1842 INCHIKEY: CIEXPHRYOLIQQD-ZDUSSCGKSA-N
1843 SMILES: COC(=O)C(N(c1c(C)cccc1C)C(=O)c1ccco1)C
1844 NAME: Furalaxyl
1845 RETENTIONTIME: 6.193638
1846 PRECURSORMZ: 302.1392
1847 PRECURSORTYPE: [M+H]+
1848 INSTRUMENTTYPE: LC-ESI-Orbitrap
1849 NUM PEAKS: 1
1850 95.01299 22120298.0
1851
1852 FORMULA: C14H14N2OCl2
1853 INCHIKEY: PZBPKYOVPCNPJY-AWEZNQCLSA-N
1854 SMILES: C=CCOC(c1ccc(cc1Cl)Cl)Cn1cncc1
1855 NAME: Imazalil
1856 RETENTIONTIME: 3.913752
1857 PRECURSORMZ: 297.0566
1858 PRECURSORTYPE: [M+H]+
1859 INSTRUMENTTYPE: LC-ESI-Orbitrap
1860 NUM PEAKS: 17
1861 102.04659 83349.0
1862 109.0761 370634.0
1863 122.99966 169161.0
1864 129.07021 173674.0
1865 137.01562 175055.0
1866 138.02319 151710.0
1867 141.0703 676682.0
1868 149.01559 103927.0
1869 150.02344 201572.0
1870 158.97626 8128112.0
1871 164.03893 173925.0
1872 172.99223 1736974.0
1873 175.03131 122074.0
1874 176.0387 901695.0
1875 186.97179 139839.0
1876 200.98682 142186.0
1877 255.00883 411510.0
1878
1879 FORMULA: C9H10N5O2Cl
1880 INCHIKEY: YWTYJOPNNQFBPC-UHFFFAOYSA-N
1881 SMILES: O=N(=O)NC1=NCCN1Cc1ccc(nc1)Cl
1882 NAME: Imidacloprid
1883 RETENTIONTIME: 3.079668
1884 PRECURSORMZ: 256.0602
1885 PRECURSORTYPE: [M+H]+
1886 INSTRUMENTTYPE: LC-ESI-Orbitrap
1887 NUM PEAKS: 36
1888 99.05553 45726.0
1889 105.04505 49039.0
1890 106.06546 54345.0
1891 107.06065 64812.0
1892 113.00283 42520.0
1893 119.04804 44604.0
1894 119.06059 69901.0
1895 120.05593 48869.0
1896 126.01085 269914.0
1897 127.01869 53555.0
1898 128.02625 263416.0
1899 131.06062 65155.0
1900 132.05562 39478.0
1901 133.06364 158210.0
1902 133.076 126641.0
1903 134.07159 138270.0
1904 141.02173 133666.0
1905 146.05891 66316.0
1906 146.0717 317182.0
1907 147.06651 418911.0
1908 148.08702 165957.0
1909 158.07153 211685.0
1910 159.06667 39062.0
1911 159.07906 265140.0
1912 166.01717 43422.0
1913 167.03738 137027.0
1914 173.08266 507123.0
1915 174.09048 481291.0
1916 175.09782 2784924.0
1917 180.03256 49532.0
1918 181.02791 160573.0
1919 191.09306 100802.0
1920 194.04849 73037.0
1921 208.05171 91411.0
1922 209.05724 1316587.0
1923 209.05885 3531093.0
1924
1925 FORMULA: C23H22NO4Cl
1926 INCHIKEY: KWLVWJPJKJMCSH-JOCHJYFZSA-N
1927 SMILES: C#CCOC(c1ccc(cc1)Cl)C(=NCCc1ccc(c(c1)OC)OCC#C)O
1928 NAME: Mandipropamid
1929 RETENTIONTIME: 6.964275
1930 PRECURSORMZ: 412.1314
1931 PRECURSORTYPE: [M+H]+
1932 INSTRUMENTTYPE: LC-ESI-Orbitrap
1933 NUM PEAKS: 5
1934 204.10207 530532.0
1935 328.11053 16472820.0
1936 356.10495 7175862.0
1937 412.04471 215694.0
1938 412.13226 2828841.0
1939
1940 FORMULA: C14H13N3
1941 INCHIKEY: CIFWZNRJIBNXRE-UHFFFAOYSA-N
1942 SMILES: CC#Cc1nc(Nc2ccccc2)nc(c1)C
1943 NAME: Mepanipyrim
1944 RETENTIONTIME: 6.936112
1945 PRECURSORMZ: 224.1185
1946 PRECURSORTYPE: [M+H]+
1947 INSTRUMENTTYPE: LC-ESI-Orbitrap
1948 NUM PEAKS: 102
1949 89.03882 517274.0
1950 90.03403 2492239.0
1951 91.04182 279822.0
1952 91.05441 689902.0
1953 92.0498 1156467.0
1954 93.0575 1581720.0
1955 94.04169 907699.0
1956 94.06544 4247548.0
1957 95.04928 7648441.0
1958 96.04461 836099.0
1959 104.04984 9863130.0
1960 105.04505 4799141.0
1961 105.05748 280682.0
1962 106.05285 481449.0
1963 106.06546 21345988.0
1964 107.06065 1636304.0
1965 107.07314 792818.0
1966 115.05464 3041902.0
1967 116.0497 1214108.0
1968 117.0574 623912.0
1969 118.05279 352181.0
1970 118.06553 2089902.0
1971 119.06059 6016274.0
1972 121.07632 4716914.0
1973 122.06017 546355.0
1974 124.07606 570495.0
1975 128.04958 351035.0
1976 128.06239 268794.0
1977 129.04503 342815.0
1978 129.05762 223642.0
1979 129.07021 809903.0
1980 130.04021 505143.0
1981 130.05293 226615.0
1982 130.06528 631733.0
1983 131.06062 6745162.0
1984 132.06825 1922003.0
1985 139.05466 759207.0
1986 139.08679 888214.0
1987 140.0497 2660486.0
1988 141.05769 432867.0
1989 142.06525 4535240.0
1990 143.06068 6551342.0
1991 143.07307 827696.0
1992 146.06033 239932.0
1993 146.0717 582762.0
1994 147.07945 1981982.0
1995 149.07127 472905.0
1996 152.06248 907036.0
1997 153.06992 747588.0
1998 154.06532 634466.0
1999 155.06065 477098.0
2000 156.06825 343240.0
2001 156.08081 938982.0
2002 157.0762 689823.0
2003 157.08888 215289.0
2004 158.08434 241364.0
2005 159.09198 967686.0
2006 160.07613 1334605.0
2007 165.05745 274138.0
2008 166.06538 1659086.0
2009 167.06058 783829.0
2010 167.07332 1978108.0
2011 168.06824 5290008.0
2012 168.08109 220063.0
2013 169.06438 286507.0
2014 169.07619 592750.0
2015 170.0968 225887.0
2016 178.06569 490619.0
2017 179.06082 272597.0
2018 179.07304 1573880.0
2019 180.08119 4503916.0
2020 181.07629 4276790.0
2021 181.08871 558180.0
2022 182.08427 8178091.0
2023 182.09682 299282.0
2024 183.07944 1118528.0
2025 183.09206 3652070.0
2026 184.08746 3084619.0
2027 184.09952 366883.0
2028 185.0714 378043.0
2029 190.06572 671329.0
2030 191.06046 256444.0
2031 191.07323 287427.0
2032 192.06876 5238670.0
2033 193.07642 340761.0
2034 194.0717 335171.0
2035 194.08405 455850.0
2036 195.09225 1664615.0
2037 196.0995 1003846.0
2038 197.09528 319437.0
2039 197.10789 734438.0
2040 205.07669 7605397.0
2041 206.08452 12079029.0
2042 207.0798 627312.0
2043 207.0918 5892684.0
2044 208.08714 6327165.0
2045 208.09923 895713.0
2046 209.09537 7619410.0
2047 221.09558 532629.0
2048 222.10307 5281894.0
2049 223.11121 2054946.0
2050 224.119 13923746.0
2051
2052 FORMULA: C7H14N4O3
2053 INCHIKEY: YKBZOVFACRVRJN-ZCFIWIBFSA-N
2054 SMILES: CN=C(NN(=O)=O)NCC1COCC1
2055 NAME: Dinotefuran
2056 RETENTIONTIME: 1.502809
2057 PRECURSORMZ: 203.1141
2058 PRECURSORTYPE: [M+H]+
2059 INSTRUMENTTYPE: LC-ESI-Orbitrap
2060 NUM PEAKS: 13
2061 87.07939 212770.0
2062 100.0872 147065.0
2063 101.09495 14292.0
2064 112.08705 103076.0
2065 113.09509 522233.0
2066 114.10273 536607.0
2067 127.11057 50518.0
2068 128.11842 69200.0
2069 129.08989 1106553.0
2070 129.12611 128089.0
2071 157.12112 345152.0
2072 173.11627 46987.0
2073 203.11415 399504.0
2074
2075 FORMULA: C24H16N4O2F6
2076 INCHIKEY: MIFOMMKAVSCNKQ-UHFFFAOYSA-N
2077 SMILES: N#Cc1ccc(cc1)CC(=NN=C(Nc1ccc(cc1)OC(F)(F)F)O)c1cccc(c1)C(F)(F)F
2078 NAME: Metaflumizone
2079 RETENTIONTIME: 7.19479
2080 PRECURSORMZ: 507.1251
2081 PRECURSORTYPE: [M+H]+
2082 INSTRUMENTTYPE: LC-ESI-Orbitrap
2083 NUM PEAKS: 33
2084 89.03882 112603.0
2085 92.0498 159120.0
2086 93.0575 96261.0
2087 110.06045 137716.0
2088 116.0497 2188022.0
2089 128.04958 82526.0
2090 159.04192 72170.0
2091 171.04201 111513.0
2092 174.05289 67561.0
2093 176.03242 127986.0
2094 177.04025 145377.0
2095 178.04784 4081576.0
2096 190.065 44917.0
2097 191.07323 105042.0
2098 204.02695 55744.0
2099 218.08452 1276107.0
2100 219.09236 53088.0
2101 220.05638 42611.0
2102 221.05324 329863.0
2103 233.05731 59799.0
2104 238.06659 64784.0
2105 240.06252 447032.0
2106 245.07082 222043.0
2107 247.06392 273902.0
2108 247.06705 1414469.0
2109 260.0687 348712.0
2110 267.07318 2569566.0
2111 273.06406 84541.0
2112 273.07617 78440.0
2113 286.07156 143270.0
2114 287.07932 2154516.0
2115 288.0871 575359.0
2116 330.08609 207585.0
2117
2118 FORMULA: C15H21NO4
2119 INCHIKEY: ZQEIXNIJLIKNTD-LBPRGKRZSA-N
2120 SMILES: COCC(=O)N(c1c(C)cccc1C)C(C(=O)OC)C
2121 NAME: Metalaxyl
2122 RETENTIONTIME: 5.550616
2123 PRECURSORMZ: 280.1547
2124 PRECURSORTYPE: [M+H]+
2125 INSTRUMENTTYPE: LC-ESI-Orbitrap
2126 NUM PEAKS: 24
2127 91.05441 81742.0
2128 105.06991 446715.0
2129 117.0574 85397.0
2130 118.06519 181419.0
2131 119.0857 203031.0
2132 120.081 86040.0
2133 121.08883 168662.0
2134 130.06528 459915.0
2135 131.0731 294735.0
2136 132.08089 1629425.0
2137 133.08878 1053467.0
2138 134.09659 2186175.0
2139 144.08099 390383.0
2140 145.08881 2412390.0
2141 146.09682 729220.0
2142 147.10434 123350.0
2143 148.11217 2255058.0
2144 150.09151 223495.0
2145 158.0966 105904.0
2146 160.11201 8036024.0
2147 162.12798 1800051.0
2148 164.10716 139534.0
2149 192.13879 614235.0
2150 220.13348 136200.0
2151
2152 FORMULA: C15H17N4Cl
2153 INCHIKEY: HZJKXKUJVSEEFU-HNNXBMFYSA-N
2154 SMILES: CCCCC(c1ccc(cc1)Cl)(Cn1cncn1)C#N
2155 NAME: Myclobutanil
2156 RETENTIONTIME: 6.259462
2157 PRECURSORMZ: 289.1221
2158 PRECURSORTYPE: [M+H]+
2159 INSTRUMENTTYPE: LC-ESI-Orbitrap
2160 NUM PEAKS: 18
2161 89.03882 46919.0
2162 98.99973 29039.0
2163 115.05431 84807.0
2164 116.06212 93918.0
2165 125.01308 47666.0
2166 125.01533 2894088.0
2167 128.04958 45144.0
2168 130.06528 66651.0
2169 137.01562 42490.0
2170 149.01559 47429.0
2171 150.0106 90969.0
2172 151.03107 531808.0
2173 153.06992 32172.0
2174 164.02652 222253.0
2175 166.04185 38601.0
2176 168.09337 31175.0
2177 175.03131 41390.0
2178 178.04208 93247.0
2179
2180 FORMULA: C14H18N2O4
2181 INCHIKEY: UWVQIROCRJWDKL-UHFFFAOYSA-N
2182 SMILES: COCC(=O)N(c1c(C)cccc1C)N1CCOC1=O
2183 NAME: Oxadixyl
2184 RETENTIONTIME: 4.402048
2185 PRECURSORMZ: 279.1344
2186 PRECURSORTYPE: [M+H]+
2187 INSTRUMENTTYPE: LC-ESI-Orbitrap
2188 NUM PEAKS: 7
2189 102.05517 448694.0
2190 132.08089 139055.0
2191 133.08878 111093.0
2192 160.07613 49235.0
2193 192.10234 94587.0
2194 219.11325 4470994.0
2195 279.13367 216370.0
2196
2197 FORMULA: C15H16N3O2Cl3
2198 INCHIKEY: TVLSRXXIMLFWEO-UHFFFAOYSA-N
2199 SMILES: CCCN(C(=O)n1cncc1)CCOc1c(Cl)cc(cc1Cl)Cl
2200 NAME: Prochloraz
2201 RETENTIONTIME: 7.089308
2202 PRECURSORMZ: 376.0388
2203 PRECURSORTYPE: [M+H]+
2204 INSTRUMENTTYPE: LC-ESI-Orbitrap
2205 NUM PEAKS: 3
2206 265.95453 2776909.0
2207 308.00125 53942956.0
2208 376.03964 3704219.0
2209
2210 FORMULA: C10H19N5O
2211 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
2212 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
2213 NAME: Prometon_1
2214 RETENTIONTIME: 3.185351
2215 PRECURSORMZ: 226.1667
2216 PRECURSORTYPE: [M+H]+
2217 INSTRUMENTTYPE: LC-ESI-Orbitrap
2218 NUM PEAKS: 16
2219 85.05116 254026.0
2220 85.07622 1248785.0
2221 86.03511 7693232.0
2222 96.05572 2045746.0
2223 97.03974 2776563.0
2224 99.06665 1175450.0
2225 100.05066 9824308.0
2226 110.04619 496522.0
2227 110.0716 223643.0
2228 114.06643 4195590.0
2229 128.08185 3094754.0
2230 138.07761 783556.0
2231 142.07253 19868644.0
2232 168.0881 278497.0
2233 170.10394 12296676.0
2234 184.11964 1858746.0
2235
2236 FORMULA: C10H19N5O
2237 INCHIKEY: ISEUFVQQFVOBCY-UHFFFAOYSA-N
2238 SMILES: COc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
2239 NAME: Prometon_2
2240 RETENTIONTIME: 3.288845
2241 PRECURSORMZ: 226.1663
2242 PRECURSORTYPE: [M+H]+
2243 INSTRUMENTTYPE: LC-ESI-Orbitrap
2244 NUM PEAKS: 22
2245 85.05116 203704.0
2246 85.07622 1795800.0
2247 86.03511 4360152.0
2248 96.05572 3992152.0
2249 97.03974 3296917.0
2250 99.06665 489124.0
2251 100.05066 11922340.0
2252 110.04619 311190.0
2253 110.0716 143123.0
2254 113.0825 152844.0
2255 114.06643 5615716.0
2256 125.0461 170765.0
2257 127.09787 169642.0
2258 128.08185 4145137.0
2259 129.0112 167032.0
2260 138.07761 953215.0
2261 142.07253 8482599.0
2262 153.07755 208846.0
2263 168.0881 343548.0
2264 170.10394 12923365.0
2265 184.11964 137608.0
2266 226.16615 243943.0
2267
2268 FORMULA: C10H11N5O
2269 INCHIKEY: QHMTXANCGGJZRX-UHFFFAOYSA-N
2270 SMILES: CC1=NN=C(N(C1)N=Cc1cccnc1)O
2271 NAME: Pymetrozine
2272 RETENTIONTIME: 1.373368
2273 PRECURSORMZ: 218.1044
2274 PRECURSORTYPE: [M+H]+
2275 INSTRUMENTTYPE: LC-ESI-Orbitrap
2276 NUM PEAKS: 2
2277 96.04461 383408.0
2278 105.04506 15166273.0
2279
2280 FORMULA: C13H15NO2
2281 INCHIKEY: YPCALTGLHFLNGA-UHFFFAOYSA-N
2282 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCC1
2283 NAME: Pyracarbolid
2284 RETENTIONTIME: 4.72542
2285 PRECURSORMZ: 218.1182
2286 PRECURSORTYPE: [M+H]+
2287 INSTRUMENTTYPE: LC-ESI-Orbitrap
2288 NUM PEAKS: 8
2289 92.04956 222486.0
2290 95.04928 559755.0
2291 97.02871 2882447.0
2292 97.06489 514552.0
2293 105.04477 279492.0
2294 107.04936 2653095.0
2295 115.03907 949155.0
2296 125.05998 14590636.0
2297
2298 FORMULA: C12H13N3
2299 INCHIKEY: ZLIBICFPKPWGIZ-UHFFFAOYSA-N
2300 SMILES: Cc1cc(C)nc(n1)Nc1ccccc1
2301 NAME: Pyrimethanil
2302 RETENTIONTIME: 5.598423
2303 PRECURSORMZ: 200.1186
2304 PRECURSORTYPE: [M+H]+
2305 INSTRUMENTTYPE: LC-ESI-Orbitrap
2306 NUM PEAKS: 43
2307 91.05441 269141.0
2308 92.0498 1006183.0
2309 93.0575 798806.0
2310 95.04928 864623.0
2311 105.04505 538940.0
2312 107.06065 6806452.0
2313 115.05464 651194.0
2314 116.0497 189558.0
2315 117.0574 297627.0
2316 118.05279 470418.0
2317 118.06519 941436.0
2318 119.06059 1862863.0
2319 125.07124 2658422.0
2320 129.07021 373721.0
2321 131.06062 510426.0
2322 132.08089 163131.0
2323 139.05466 180641.0
2324 140.0497 332716.0
2325 141.05769 348146.0
2326 142.06525 1271766.0
2327 143.06068 2584610.0
2328 143.07307 643411.0
2329 154.06532 150404.0
2330 155.06065 150810.0
2331 156.06825 358067.0
2332 156.08081 843618.0
2333 158.08434 235445.0
2334 158.0966 250403.0
2335 159.09198 1057014.0
2336 166.06538 692025.0
2337 167.07332 885398.0
2338 168.06824 6869380.0
2339 173.10771 334158.0
2340 173.50755 193551.0
2341 181.07629 2021052.0
2342 182.08163 471666.0
2343 182.08427 7602030.0
2344 183.09206 8147444.0
2345 184.08679 232595.0
2346 185.09505 609372.0
2347 198.10313 499158.0
2348 199.11044 154902.0
2349 200.11862 13352280.0
2350
2351 FORMULA: C20H19NO3
2352 INCHIKEY: NHDHVHZZCFYRSB-INIZCTEOSA-N
2353 SMILES: CC(Oc1ccccn1)COc1ccc(cc1)Oc1ccccc1
2354 NAME: Pyriproxyfen
2355 RETENTIONTIME: 7.483148
2356 PRECURSORMZ: 322.1441
2357 PRECURSORTYPE: [M+H]+
2358 INSTRUMENTTYPE: LC-ESI-Orbitrap
2359 NUM PEAKS: 21
2360 91.05465 1995486.0
2361 95.04953 2794273.0
2362 96.04461 57722984.0
2363 105.04505 1487815.0
2364 105.0702 2138528.0
2365 115.05464 2166874.0
2366 119.04944 13154060.0
2367 128.06239 2789226.0
2368 129.07021 18069414.0
2369 133.06531 2250340.0
2370 134.07285 5007071.0
2371 141.07028 4802710.0
2372 153.07043 578116.0
2373 155.06065 601649.0
2374 157.06509 3489445.0
2375 170.07298 834102.0
2376 181.06517 682957.0
2377 185.05991 13867037.0
2378 186.06801 602621.0
2379 194.07315 653455.0
2380 199.07576 804230.0
2381
2382 FORMULA: C17H19NO2
2383 INCHIKEY: BCTQJXQXJVLSIG-UHFFFAOYSA-N
2384 SMILES: CC(Oc1cccc(c1)N=C(c1ccccc1C)O)C
2385 NAME: Mepronil
2386 RETENTIONTIME: 6.63015
2387 PRECURSORMZ: 270.1492
2388 PRECURSORTYPE: [M+H]+
2389 INSTRUMENTTYPE: LC-ESI-Orbitrap
2390 NUM PEAKS: 8
2391 91.05465 4818532.0
2392 107.04936 268915.0
2393 108.0449 232011.0
2394 109.0651 1528311.0
2395 111.04436 177960.0
2396 119.04979 16405699.0
2397 119.0592 353581.0
2398 136.03949 166339.0
2399
2400 FORMULA: C18H35NO2
2401 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
2402 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
2403 NAME: Spiroxamine_2
2404 RETENTIONTIME: 4.628222
2405 PRECURSORMZ: 298.2747
2406 PRECURSORTYPE: [M+H]+
2407 INSTRUMENTTYPE: LC-ESI-Orbitrap
2408 NUM PEAKS: 4
2409 100.11219 10585697.0
2410 102.09142 415934.0
2411 126.12786 286929.0
2412 144.13857 10367585.0
2413
2414 FORMULA: C18H24N3OCl
2415 INCHIKEY: ZZYSLNWGKKDOML-UHFFFAOYSA-N
2416 SMILES: CCc1nn(c(c1Cl)C(=O)NCc1ccc(cc1)C(C)(C)C)C
2417 NAME: Tebufenpyrad
2418 RETENTIONTIME: 7.223254
2419 PRECURSORMZ: 334.1692
2420 PRECURSORTYPE: [M+H]+
2421 INSTRUMENTTYPE: LC-ESI-Orbitrap
2422 NUM PEAKS: 17
2423 90.01088 682936.0
2424 91.05441 694638.0
2425 105.0702 2926113.0
2426 107.08593 482744.0
2427 117.02172 17275010.0
2428 117.06997 1213127.0
2429 119.0857 4335492.0
2430 130.02946 271510.0
2431 131.08559 179894.0
2432 132.09351 4494128.0
2433 145.05318 15327344.0
2434 145.10149 224176.0
2435 147.11679 8812113.0
2436 171.03239 1499108.0
2437 188.05853 456215.0
2438 200.05861 396435.0
2439 334.16821 933979.0
2440
2441 FORMULA: C10H19N5O
2442 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
2443 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
2444 NAME: Terbumeton_1
2445 RETENTIONTIME: 3.185351
2446 PRECURSORMZ: 226.1667
2447 PRECURSORTYPE: [M+H]+
2448 INSTRUMENTTYPE: LC-ESI-Orbitrap
2449 NUM PEAKS: 16
2450 85.05116 254026.0
2451 85.07622 1248785.0
2452 86.03511 7693232.0
2453 96.05572 2045746.0
2454 97.03974 2776563.0
2455 99.06665 1175450.0
2456 100.05066 9824308.0
2457 110.04619 496522.0
2458 110.0716 223643.0
2459 114.06643 4195590.0
2460 128.08185 3094754.0
2461 138.07761 783556.0
2462 142.07253 19868644.0
2463 168.0881 278497.0
2464 170.10394 12296676.0
2465 184.11964 1858746.0
2466
2467 FORMULA: C10H19N5O
2468 INCHIKEY: BCQMBFHBDZVHKU-UHFFFAOYSA-N
2469 SMILES: CCN=c1nc([nH]c(n1)OC)NC(C)(C)C
2470 NAME: Terbumeton_2
2471 RETENTIONTIME: 3.288845
2472 PRECURSORMZ: 226.1663
2473 PRECURSORTYPE: [M+H]+
2474 INSTRUMENTTYPE: LC-ESI-Orbitrap
2475 NUM PEAKS: 22
2476 85.05116 203704.0
2477 85.07622 1795800.0
2478 86.03511 4360152.0
2479 96.05572 3992152.0
2480 97.03974 3296917.0
2481 99.06665 489124.0
2482 100.05066 11922340.0
2483 110.04619 311190.0
2484 110.0716 143123.0
2485 113.0825 152844.0
2486 114.06643 5615716.0
2487 125.0461 170765.0
2488 127.09787 169642.0
2489 128.08185 4145137.0
2490 129.0112 167032.0
2491 138.07761 953215.0
2492 142.07253 8482599.0
2493 153.07755 208846.0
2494 168.0881 343548.0
2495 170.10394 12923365.0
2496 184.11964 137608.0
2497 226.16615 243943.0
2498
2499 FORMULA: C14H16N3O2Cl
2500 INCHIKEY: WURBVZBTWMNKQT-ZDUSSCGKSA-N
2501 SMILES: O=C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
2502 NAME: Triadimefon
2503 RETENTIONTIME: 6.495691
2504 PRECURSORMZ: 294.101
2505 PRECURSORTYPE: [M+H]+
2506 INSTRUMENTTYPE: LC-ESI-Orbitrap
2507 NUM PEAKS: 34
2508 91.05441 220380.0
2509 93.03366 110759.0
2510 94.04145 226678.0
2511 95.04928 293143.0
2512 98.99973 2161492.0
2513 103.03109 47635.0
2514 105.04505 158971.0
2515 107.04936 77343.0
2516 109.0651 56624.0
2517 110.03504 91263.0
2518 110.99978 78358.0
2519 111.04436 239293.0
2520 113.0154 1133437.0
2521 119.04944 129126.0
2522 119.06059 60561.0
2523 120.05734 170448.0
2524 121.03985 123630.0
2525 125.01533 88037.0
2526 126.99488 4331208.0
2527 127.03099 234800.0
2528 129.01041 2984985.0
2529 133.10155 53571.0
2530 137.01562 52817.0
2531 139.00583 1903109.0
2532 141.0105 4051184.0
2533 146.07265 75724.0
2534 147.08089 154110.0
2535 155.02592 1609516.0
2536 159.02092 270169.0
2537 161.09631 105167.0
2538 173.50877 58953.0
2539 175.07544 124355.0
2540 190.09877 46793.0
2541 197.073 124633.0
2542
2543 FORMULA: C20H19N2O4F3
2544 INCHIKEY: ONCZDRURRATYFI-UHFFFAOYSA-N
2545 SMILES: CON=C(c1ccccc1CON=C(c1cccc(c1)C(F)(F)F)C)C(=O)OC
2546 NAME: Trifloxystrobin
2547 RETENTIONTIME: 7.117416
2548 PRECURSORMZ: 409.1378
2549 PRECURSORTYPE: [M+H]+
2550 INSTRUMENTTYPE: LC-ESI-Orbitrap
2551 NUM PEAKS: 20
2552 89.03905 311273.0
2553 91.05465 552137.0
2554 105.07049 281496.0
2555 116.05004 3644672.0
2556 117.05774 1059431.0
2557 118.06553 996646.0
2558 119.04944 261371.0
2559 130.06567 752094.0
2560 131.07352 3968814.0
2561 132.04504 549533.0
2562 132.08128 1313192.0
2563 134.06033 476020.0
2564 145.02644 9201794.0
2565 146.06033 1786913.0
2566 147.06844 435652.0
2567 161.0475 625467.0
2568 163.03706 449951.0
2569 173.03255 3885334.0
2570 186.05302 16153518.0
2571 206.08214 362046.0
2572
2573 FORMULA: C14H16Cl3NO2
2574 INCHIKEY: SOUGWDPPRBKJEX-AWEZNQCLSA-N
2575 SMILES: CCC(C(=O)CCl)(N=C(c1cc(Cl)c(c(c1)Cl)C)O)C
2576 NAME: Zoxamide
2577 RETENTIONTIME: 7.042906
2578 PRECURSORMZ: 336.0327
2579 PRECURSORTYPE: [M+H]+
2580 INSTRUMENTTYPE: LC-ESI-Orbitrap
2581 NUM PEAKS: 7
2582 122.99966 189624.0
2583 158.97681 2350836.0
2584 160.99211 84080.0
2585 176.98717 132424.0
2586 186.97179 7551578.0
2587 186.98138 1310863.0
2588 203.99802 105210.0
2589
2590 FORMULA: C15H8NOCl2F
2591 INCHIKEY: WRPIRSINYZBGPK-UHFFFAOYSA-N
2592 SMILES: Fc1ccc(cc1)Oc1ccnc2c1c(Cl)cc(c2)Cl
2593 NAME: Quinoxyfen
2594 RETENTIONTIME: 7.693292
2595 PRECURSORMZ: 308.0046
2596 PRECURSORTYPE: [M+H]+
2597 INSTRUMENTTYPE: LC-ESI-Orbitrap
2598 NUM PEAKS: 28
2599 113.04024 951160.0
2600 123.00003 519051.0
2601 123.03591 2234640.0
2602 133.05254 505534.0
2603 150.01109 1173838.0
2604 162.01112 4388227.0
2605 168.02145 1536952.0
2606 178.01723 957090.0
2607 183.97221 586345.0
2608 184.97952 1042789.0
2609 196.98022 34758736.0
2610 209.06372 991608.0
2611 210.0717 743797.0
2612 212.97452 543051.0
2613 213.98238 16892596.0
2614 217.02182 350576.0
2615 219.02536 368183.0
2616 225.03487 908834.0
2617 237.05934 2476225.0
2618 238.06659 390133.0
2619 244.03317 3467599.0
2620 245.04095 5069296.0
2621 253.02917 653474.0
2622 254.03786 417640.0
2623 272.02798 14312807.0
2624 280.00934 1380984.0
2625 287.99789 1053238.0
2626 308.00415 16622164.0
2627
2628 FORMULA: C23H22O6
2629 INCHIKEY: JUVIOZPCNVVQFO-NDXORKPFSA-N
2630 SMILES: COc1cc2c(cc1OC)OCC1C2C(=O)c2c(O1)c1CC(Oc1cc2)C(=C)C
2631 NAME: Rotenone
2632 RETENTIONTIME: 7.674882
2633 PRECURSORMZ: 395.1498
2634 PRECURSORTYPE: [M+H]+
2635 INSTRUMENTTYPE: LC-ESI-Orbitrap
2636 NUM PEAKS: 118
2637 91.05441 20240.0
2638 94.04169 8976.0
2639 95.04953 15733.0
2640 96.05724 5644.0
2641 103.05439 9409.0
2642 105.04505 12948.0
2643 105.0702 18947.0
2644 107.04936 14407.0
2645 108.05726 28276.0
2646 109.0651 27746.0
2647 115.05464 7748.0
2648 118.04178 6690.0
2649 119.04944 11358.0
2650 119.0857 16350.0
2651 121.06523 31422.0
2652 122.03665 11422.0
2653 123.04434 5563.0
2654 124.05232 66924.0
2655 125.05998 10770.0
2656 128.06239 12472.0
2657 129.07021 21798.0
2658 131.04935 9618.0
2659 132.05725 6374.0
2660 133.02864 9569.0
2661 133.06488 59218.0
2662 135.04427 48791.0
2663 135.08092 12734.0
2664 136.05228 31669.0
2665 137.05997 22461.0
2666 139.07579 190263.0
2667 141.07028 6275.0
2668 142.07797 14608.0
2669 143.08594 13615.0
2670 144.05733 5067.0
2671 145.0649 8486.0
2672 147.04451 61525.0
2673 147.08089 94625.0
2674 148.0522 39063.0
2675 149.02341 19610.0
2676 149.06003 21143.0
2677 150.06783 16274.0
2678 151.03905 10391.0
2679 151.07541 203001.0
2680 152.04688 7942.0
2681 152.06248 13044.0
2682 153.05467 9160.0
2683 155.0705 50109.0
2684 155.08604 5247.0
2685 157.06509 11481.0
2686 157.10156 7250.0
2687 159.0446 58047.0
2688 160.05222 12860.0
2689 161.02338 80194.0
2690 161.0601 108267.0
2691 161.09631 10911.0
2692 162.0676 99660.0
2693 163.03929 24087.0
2694 163.07561 12092.0
2695 164.04738 8000.0
2696 165.05518 11042.0
2697 165.06599 31937.0
2698 165.09103 67666.0
2699 167.03391 16070.0
2700 167.07042 68033.0
2701 167.08607 14650.0
2702 169.06497 20549.0
2703 170.07298 47466.0
2704 171.0444 8000.0
2705 171.08104 35499.0
2706 173.06004 17137.0
2707 174.06767 6932.0
2708 175.03938 17059.0
2709 175.07544 21766.0
2710 176.04684 21189.0
2711 177.05479 232262.0
2712 178.05867 5911.0
2713 178.0625 25475.0
2714 179.07047 162479.0
2715 181.04948 12121.0
2716 183.08076 4979.0
2717 185.05991 48654.0
2718 185.09641 26209.0
2719 187.03905 10827.0
2720 188.04747 5292.0
2721 189.05499 13091.0
2722 189.09126 53174.0
2723 191.07039 460509.0
2724 192.07661 134602.0
2725 192.07805 420800.0
2726 193.04977 5384.0
2727 193.0865 52606.0
2728 195.08057 343831.0
2729 197.05963 10859.0
2730 198.06796 244073.0
2731 199.07576 11375.0
2732 201.09085 5454.0
2733 203.07065 271508.0
2734 205.0499 11121.0
2735 211.07547 11767.0
2736 213.05545 8031.0
2737 213.09134 496635.0
2738 219.06538 18652.0
2739 220.07301 15899.0
2740 223.07542 20667.0
2741 226.06303 9493.0
2742 229.08595 8069.0
2743 241.08595 34858.0
2744 309.07611 9652.0
2745 319.09708 7916.0
2746 321.11215 19786.0
2747 331.09756 10399.0
2748 333.11328 6140.0
2749 334.08463 6723.0
2750 335.12769 6532.0
2751 337.1073 11225.0
2752 347.091 7782.0
2753 349.10764 9303.0
2754 377.13797 5836.0
2755
2756 FORMULA: C10H19N5O
2757 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
2758 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
2759 NAME: Secbumeton_1
2760 RETENTIONTIME: 3.185351
2761 PRECURSORMZ: 226.1667
2762 PRECURSORTYPE: [M+H]+
2763 INSTRUMENTTYPE: LC-ESI-Orbitrap
2764 NUM PEAKS: 16
2765 85.05116 254026.0
2766 85.07622 1248785.0
2767 86.03511 7693232.0
2768 96.05572 2045746.0
2769 97.03974 2776563.0
2770 99.06665 1175450.0
2771 100.05066 9824308.0
2772 110.04619 496522.0
2773 110.0716 223643.0
2774 114.06643 4195590.0
2775 128.08185 3094754.0
2776 138.07761 783556.0
2777 142.07253 19868644.0
2778 168.0881 278497.0
2779 170.10394 12296676.0
2780 184.11964 1858746.0
2781
2782 FORMULA: C10H19N5O
2783 INCHIKEY: ZJMZZNVGNSWOOM-ZETCQYMHSA-N
2784 SMILES: CCN=c1nc(OC)[nH]c(=NC(CC)C)[nH]1
2785 NAME: Secbumeton_2
2786 RETENTIONTIME: 3.288845
2787 PRECURSORMZ: 226.1663
2788 PRECURSORTYPE: [M+H]+
2789 INSTRUMENTTYPE: LC-ESI-Orbitrap
2790 NUM PEAKS: 22
2791 85.05116 203704.0
2792 85.07622 1795800.0
2793 86.03511 4360152.0
2794 96.05572 3992152.0
2795 97.03974 3296917.0
2796 99.06665 489124.0
2797 100.05066 11922340.0
2798 110.04619 311190.0
2799 110.0716 143123.0
2800 113.0825 152844.0
2801 114.06643 5615716.0
2802 125.0461 170765.0
2803 127.09787 169642.0
2804 128.08185 4145137.0
2805 129.0112 167032.0
2806 138.07761 953215.0
2807 142.07253 8482599.0
2808 153.07755 208846.0
2809 168.0881 343548.0
2810 170.10394 12923365.0
2811 184.11964 137608.0
2812 226.16615 243943.0
2813
2814 FORMULA: C18H35NO2
2815 INCHIKEY: PUYXTUJWRLOUCW-PQUAAJSLSA-N
2816 SMILES: CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
2817 NAME: Spiroxamine_1
2818 RETENTIONTIME: 4.508498
2819 PRECURSORMZ: 298.2746
2820 PRECURSORTYPE: [M+H]+
2821 INSTRUMENTTYPE: LC-ESI-Orbitrap
2822 NUM PEAKS: 4
2823 100.11219 3396827.0
2824 102.09142 137060.0
2825 126.12786 85740.0
2826 144.13857 3215019.0
2827
2828 FORMULA: C8H6N2OS2
2829 INCHIKEY: UELITFHSCLAHKR-UHFFFAOYSA-N
2830 SMILES: CSC(=O)c1cccc2c1snn2
2831 NAME: Acibenzolar-S-methyl
2832 RETENTIONTIME: 7.209623
2833 PRECURSORMZ: 210.9997
2834 PRECURSORTYPE: [M+H]+
2835 INSTRUMENTTYPE: LC-ESI-Orbitrap
2836 NUM PEAKS: 19
2837 90.96726 85952.0
2838 91.05441 657143.0
2839 95.04928 118440.0
2840 96.00319 401311.0
2841 104.02592 176500.0
2842 105.04505 89136.0
2843 106.99528 418903.0
2844 108.00302 780675.0
2845 109.0107 470651.0
2846 111.02646 108320.0
2847 121.01091 958564.0
2848 122.01855 285730.0
2849 134.99037 663158.0
2850 135.99904 120240.0
2851 136.00926 5947453.0
2852 139.97499 2000969.0
2853 152.98305 216362.0
2854 167.97003 464522.0
2855 210.99977 327401.0
2856
2857 FORMULA: C13H24N4O3S
2858 INCHIKEY: DSKJPMWIHSOYEA-UHFFFAOYSA-N
2859 SMILES: CCCCc1c(C)[nH]c(=NCC)nc1OS(=O)(=O)N(C)C
2860 NAME: Bupirimate
2861 RETENTIONTIME: 6.076324
2862 PRECURSORMZ: 317.1649
2863 PRECURSORTYPE: [M+H]+
2864 INSTRUMENTTYPE: LC-ESI-Orbitrap
2865 NUM PEAKS: 55
2866 86.07153 235598.0
2867 93.07003 108137.0
2868 95.06072 255743.0
2869 95.08585 244503.0
2870 96.04461 1438629.0
2871 96.08099 127976.0
2872 97.03999 368735.0
2873 98.06032 1406789.0
2874 107.07314 137145.0
2875 108.01175 7604676.0
2876 109.0761 227922.0
2877 110.06014 169356.0
2878 110.0716 162792.0
2879 110.09671 354193.0
2880 120.081 147452.0
2881 122.07138 411681.0
2882 122.09673 123475.0
2883 123.05569 195728.0
2884 123.09197 115035.0
2885 124.06344 181991.0
2886 136.0872 149699.0
2887 137.05867 120788.0
2888 137.09485 160672.0
2889 138.06628 1098460.0
2890 138.09154 233604.0
2891 138.10286 398553.0
2892 139.07446 1057776.0
2893 139.12334 148466.0
2894 140.10709 5071826.0
2895 148.08701 244501.0
2896 150.10286 2737236.0
2897 151.07442 131788.0
2898 151.11079 210989.0
2899 151.12326 149447.0
2900 152.08211 600122.0
2901 164.08234 442472.0
2902 165.08989 1444691.0
2903 165.10242 2298446.0
2904 166.09755 10809536.0
2905 167.10577 1006139.0
2906 179.12965 335810.0
2907 180.11362 538952.0
2908 180.14995 435438.0
2909 182.12912 1149384.0
2910 191.11787 124435.0
2911 192.14951 246681.0
2912 193.13402 1395706.0
2913 194.12903 1925937.0
2914 208.14435 1874942.0
2915 209.17653 127377.0
2916 210.15997 6891096.0
2917 224.17574 413548.0
2918 237.20732 1204267.0
2919 262.08615 349666.0
2920 272.10626 143082.0
2921
2922 FORMULA: C16H23N3OS
2923 INCHIKEY: PRLVTUNWOQKEAI-UHFFFAOYSA-N
2924 SMILES: CC(N1C(=NC(C)(C)C)SCN(C1=O)c1ccccc1)C
2925 NAME: Buprofezin
2926 RETENTIONTIME: 7.028851
2927 PRECURSORMZ: 306.1638
2928 PRECURSORTYPE: [M+H]+
2929 INSTRUMENTTYPE: LC-ESI-Orbitrap
2930 NUM PEAKS: 7
2931 86.06017 3955916.0
2932 95.04928 722739.0
2933 102.03746 765607.0
2934 102.99629 1020337.0
2935 106.06516 49438552.0
2936 145.04333 786651.0
2937 208.05412 1036458.0
2938
2939 FORMULA: C12H13NO2S
2940 INCHIKEY: GYSSRZJIHXQEHQ-UHFFFAOYSA-N
2941 SMILES: OC(=Nc1ccccc1)C1=C(C)OCCS1
2942 NAME: Carboxin
2943 RETENTIONTIME: 5.514598
2944 PRECURSORMZ: 236.0745
2945 PRECURSORTYPE: [M+H]+
2946 INSTRUMENTTYPE: LC-ESI-Orbitrap
2947 NUM PEAKS: 21
2948 86.99005 83162.0
2949 89.00569 35962.0
2950 92.0498 113299.0
2951 93.0575 2928372.0
2952 94.06519 52720.0
2953 95.04928 67153.0
2954 99.02643 59993.0
2955 104.04956 151593.0
2956 105.04476 45581.0
2957 115.02152 31967.0
2958 120.04463 57401.0
2959 124.02155 960327.0
2960 128.04956 63924.0
2961 132.04463 580531.0
2962 138.03711 35055.0
2963 143.01614 2499380.0
2964 146.06033 163428.0
2965 148.02174 69210.0
2966 162.03714 126130.0
2967 165.02444 140508.0
2968 166.03207 97516.0
2969
2970 FORMULA: C17H26NO3ClS
2971 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
2972 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
2973 NAME: Clethodim_1
2974 RETENTIONTIME: 6.687163
2975 PRECURSORMZ: 360.1401
2976 PRECURSORTYPE: [M+H]+
2977 INSTRUMENTTYPE: LC-ESI-Orbitrap
2978 NUM PEAKS: 93
2979 89.0422 26517.0
2980 91.05441 49957.0
2981 92.04956 6055.0
2982 93.0575 11783.0
2983 93.07003 33788.0
2984 94.06519 21009.0
2985 95.04928 65958.0
2986 95.0856 11343.0
2987 96.04461 77264.0
2988 98.06032 83926.0
2989 103.05439 27407.0
2990 105.04505 6981.0
2991 105.07019 30263.0
2992 106.06516 86354.0
2993 107.04936 34964.0
2994 107.08563 8621.0
2995 108.0446 28107.0
2996 108.08108 167346.0
2997 109.0651 32723.0
2998 110.06014 31720.0
2999 110.09671 12453.0
3000 111.04435 12775.0
3001 111.06791 6651.0
3002 114.05498 7671.0
3003 114.0916 11353.0
3004 115.0543 6778.0
3005 117.05739 8001.0
3006 117.06997 20495.0
3007 118.06519 20951.0
3008 119.04944 18911.0
3009 119.06059 9053.0
3010 119.0857 23128.0
3011 120.04463 7579.0
3012 120.081 8457.0
3013 121.06487 56724.0
3014 122.06016 65198.0
3015 122.09673 13384.0
3016 123.04433 7289.0
3017 124.03934 5264.0
3018 124.07605 20748.0
3019 127.02138 23658.0
3020 128.06201 5671.0
3021 129.07021 5839.0
3022 131.0731 6698.0
3023 131.08559 5362.0
3024 132.08089 18560.0
3025 133.06488 10377.0
3026 133.10155 8105.0
3027 134.06033 147188.0
3028 134.09659 13221.0
3029 135.08049 8346.0
3030 136.03949 70010.0
3031 136.07568 371565.0
3032 136.11234 9112.0
3033 137.05997 23108.0
3034 138.05496 9422.0
3035 138.09154 20890.0
3036 144.08099 5145.0
3037 145.0649 6292.0
3038 146.06033 26112.0
3039 146.09634 7672.0
3040 147.04402 77322.0
3041 147.08089 12959.0
3042 148.0759 20412.0
3043 149.04733 5916.0
3044 149.06003 102646.0
3045 150.05499 6525.0
3046 150.09151 15556.0
3047 150.12804 6161.0
3048 152.07053 18217.0
3049 158.04488 6800.0
3050 160.07613 16467.0
3051 160.11201 5212.0
3052 161.0601 8950.0
3053 161.09631 9597.0
3054 162.0554 6952.0
3055 162.0914 19731.0
3056 163.06274 15231.0
3057 164.07106 350022.0
3058 164.10716 16374.0
3059 166.08664 512799.0
3060 166.12283 13211.0
3061 167.09418 26398.0
3062 173.50754 5344.0
3063 178.08673 16500.0
3064 178.12309 12987.0
3065 180.08443 5978.0
3066 180.10194 6844.0
3067 190.1227 6425.0
3068 192.10233 16067.0
3069 206.11787 6696.0
3070 212.11047 16431.0
3071 240.10542 8682.0
3072
3073 FORMULA: C17H26NO3ClS
3074 INCHIKEY: SILSDTWXNBZOGF-KUZBFYBWSA-N
3075 SMILES: CCSC(CC1CC(=O)C(=C(NOCC=CCl)CC)C(=O)C1)C
3076 NAME: Clethodim_2
3077 RETENTIONTIME: 7.277172
3078 PRECURSORMZ: 360.1401
3079 PRECURSORTYPE: [M+H]+
3080 INSTRUMENTTYPE: LC-ESI-Orbitrap
3081 NUM PEAKS: 68
3082 89.0422 98238.0
3083 91.05464 171745.0
3084 93.05774 38046.0
3085 93.07027 136004.0
3086 94.06543 101832.0
3087 95.04953 227900.0
3088 95.08585 40869.0
3089 96.04461 221541.0
3090 98.06032 529705.0
3091 103.05467 131256.0
3092 105.07019 127685.0
3093 106.06545 53082.0
3094 107.04936 136788.0
3095 107.08593 34588.0
3096 108.0446 65341.0
3097 108.08108 867554.0
3098 109.0651 107578.0
3099 110.06044 125419.0
3100 111.04435 54097.0
3101 111.06822 33474.0
3102 114.0916 70953.0
3103 117.07031 92684.0
3104 118.06553 57896.0
3105 119.04944 77592.0
3106 119.0857 101869.0
3107 120.081 44118.0
3108 121.06523 314215.0
3109 122.06016 283363.0
3110 122.09673 58647.0
3111 124.07605 110151.0
3112 127.02138 108658.0
3113 133.10155 43604.0
3114 134.06033 82368.0
3115 134.09659 80374.0
3116 135.08092 42793.0
3117 136.07613 1946515.0
3118 136.11234 44348.0
3119 137.05997 112159.0
3120 138.05539 37327.0
3121 138.09154 107538.0
3122 146.06033 140672.0
3123 146.09682 35123.0
3124 147.04449 448482.0
3125 147.06795 32058.0
3126 147.08089 54066.0
3127 148.0759 90038.0
3128 149.06003 660024.0
3129 150.09151 33706.0
3130 152.07103 119001.0
3131 161.0601 46725.0
3132 161.09631 40686.0
3133 162.09196 88271.0
3134 163.06331 31458.0
3135 164.07106 2144695.0
3136 164.10716 97593.0
3137 166.08664 3133889.0
3138 166.12283 98337.0
3139 167.09418 133413.0
3140 177.07883 31343.0
3141 178.12309 80524.0
3142 179.09425 38320.0
3143 180.10194 39682.0
3144 190.1227 42958.0
3145 192.10233 115116.0
3146 206.11787 45529.0
3147 208.13387 37258.0
3148 212.11047 103531.0
3149 240.10542 87328.0
3150
3151 FORMULA: C6H8N5O2ClS
3152 INCHIKEY: PGOOBECODWQEAB-UHFFFAOYSA-N
3153 SMILES: CN=C(NN(=O)=O)NCc1cnc(s1)Cl
3154 NAME: Clothianidin
3155 RETENTIONTIME: 2.767634
3156 PRECURSORMZ: 250.0162
3157 PRECURSORTYPE: [M+H]+
3158 INSTRUMENTTYPE: LC-ESI-Orbitrap
3159 NUM PEAKS: 12
3160 113.01702 68898.0
3161 131.96729 1556136.0
3162 146.97801 24619.0
3163 168.04659 701063.0
3164 169.05435 2394222.0
3165 172.98125 33776.0
3166 174.9729 46060.0
3167 203.01552 30320.0
3168 204.02304 121736.0
3169 206.01546 199604.0
3170 220.01871 34828.0
3171 250.01668 782407.0
3172
3173 FORMULA: C13H13N4O2ClS
3174 INCHIKEY: YXKMMRDKEKCERS-UHFFFAOYSA-N
3175 SMILES: N#Cc1nc(c(n1S(=O)(=O)N(C)C)c1ccc(cc1)C)Cl
3176 NAME: Cyazofamid
3177 RETENTIONTIME: 6.824718
3178 PRECURSORMZ: 325.0526
3179 PRECURSORTYPE: [M+H]+
3180 INSTRUMENTTYPE: LC-ESI-Orbitrap
3181 NUM PEAKS: 14
3182 108.01175 7160721.0
3183 216.03249 215458.0
3184 217.0407 634975.0
3185 218.0482 106134.0
3186 225.11369 156877.0
3187 226.12143 91884.0
3188 233.06017 429313.0
3189 251.07034 448093.0
3190 251.10664 310661.0
3191 261.09036 1553497.0
3192 279.10236 522333.0
3193 325.052 1817226.0
3194 325.14325 121241.0
3195 325.23611 85648.0
3196
3197 FORMULA: C13H9N4OCl2F3S
3198 INCHIKEY: FNELVJVBIYMIMC-UHFFFAOYSA-N
3199 SMILES: N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
3200 NAME: Ethiprole
3201 RETENTIONTIME: 5.828761
3202 PRECURSORMZ: 396.991
3203 PRECURSORTYPE: [M+H]+
3204 INSTRUMENTTYPE: LC-ESI-Orbitrap
3205 NUM PEAKS: 11
3206 212.94865 522963.0
3207 227.9595 466048.0
3208 240.95441 720208.0
3209 254.9706 13822754.0
3210 263.97287 158454.0
3211 271.93167 238242.0
3212 288.95517 162603.0
3213 288.96835 478467.0
3214 315.97946 548987.0
3215 323.93817 233169.0
3216 350.94952 1933706.0
3217
3218 FORMULA: C13H18O5S
3219 INCHIKEY: IRCMYGHHKLLGHV-GFCCVEGCSA-N
3220 SMILES: CCOC1Oc2c(C1(C)C)cc(cc2)OS(=O)(=O)C
3221 NAME: Ethofumesate
3222 RETENTIONTIME: 6.01901
3223 PRECURSORMZ: 287.0957
3224 PRECURSORTYPE: [M+H]+
3225 INSTRUMENTTYPE: LC-ESI-Orbitrap
3226 NUM PEAKS: 10
3227 121.06523 2086509.0
3228 149.09618 158152.0
3229 161.0601 278315.0
3230 162.0676 51729.0
3231 163.07561 321436.0
3232 179.07047 102226.0
3233 241.05281 803837.0
3234 259.06424 3450423.0
3235 277.07498 105295.0
3236 287.09497 1000737.0
3237
3238 FORMULA: C17H17N3OS
3239 INCHIKEY: LMVPQMGRYSRMIW-KRWDZBQOSA-N
3240 SMILES: CSC1=NC(C(=O)N1Nc1ccccc1)(C)c1ccccc1
3241 NAME: Fenamidone
3242 RETENTIONTIME: 6.626915
3243 PRECURSORMZ: 312.1172
3244 PRECURSORTYPE: [M+H]+
3245 INSTRUMENTTYPE: LC-ESI-Orbitrap
3246 NUM PEAKS: 23
3247 92.0498 32114948.0
3248 103.05439 9639649.0
3249 104.04984 654872.0
3250 118.05279 339058.0
3251 120.081 4707760.0
3252 124.07605 564026.0
3253 133.06364 333596.0
3254 133.07642 2035568.0
3255 134.07159 10042268.0
3256 150.02492 4123380.0
3257 158.07153 1565433.0
3258 161.07108 557286.0
3259 165.04834 2679578.0
3260 170.09679 350930.0
3261 194.09637 1767185.0
3262 195.09152 465030.0
3263 206.08372 504328.0
3264 207.06779 429040.0
3265 211.12321 535099.0
3266 219.09235 850480.0
3267 221.0947 1138537.0
3268 236.11884 5452674.0
3269 237.04855 688489.0
3270
3271 FORMULA: C12H4N4OCl2F6S
3272 INCHIKEY: ZOCSXAVNDGMNBV-UHFFFAOYSA-N
3273 SMILES: N#Cc1nn(c(c1S(=O)C(F)(F)F)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
3274 NAME: Fipronil
3275 RETENTIONTIME: 6.367518
3276 PRECURSORMZ: 436.9474
3277 PRECURSORTYPE: [M+H]+
3278 INSTRUMENTTYPE: LC-ESI-Orbitrap
3279 NUM PEAKS: 44
3280 85.96982 4313.0
3281 113.00444 3712.0
3282 113.98832 5133.0
3283 139.99144 7362.0
3284 212.94781 4882.0
3285 221.00912 225249.0
3286 227.95949 26131.0
3287 228.96689 57334.0
3288 229.97443 5477.0
3289 238.95135 20431.0
3290 239.95872 31698.0
3291 240.95441 5173.0
3292 246.00426 38514.0
3293 246.98785 4361.0
3294 249.00337 20177.0
3295 252.98164 49955.0
3296 253.96179 34002.0
3297 254.96948 369569.0
3298 255.97771 5120.0
3299 256.92007 8581.0
3300 257.96988 6310.0
3301 258.00436 15884.0
3302 262.96518 141114.0
3303 263.94986 4319.0
3304 264.95398 10810.0
3305 265.00839 13074.0
3306 266.97012 5374.0
3307 270.00439 13928.0
3308 270.92358 71148.0
3309 277.9621 52537.0
3310 280.97632 110429.0
3311 281.98138 13157.0
3312 284.00772 9139.0
3313 285.01489 32296.0
3314 287.96118 3855.0
3315 289.97687 181252.0
3316 305.97165 38958.0
3317 314.97189 30271.0
3318 315.97946 17897.0
3319 319.98468 18911.0
3320 332.98279 23894.0
3321 341.94772 7327.0
3322 350.94775 6206.0
3323 367.95102 6446.0
3324
3325 FORMULA: C14H13N3O2F4S
3326 INCHIKEY: IANUJLZYFUDJIH-UHFFFAOYSA-N
3327 SMILES: Fc1ccc(cc1)N(C(=O)COc1nnc(s1)C(F)(F)F)C(C)C
3328 NAME: Flufenacet
3329 RETENTIONTIME: 6.476889
3330 PRECURSORMZ: 364.0744
3331 PRECURSORTYPE: [M+H]+
3332 INSTRUMENTTYPE: LC-ESI-Orbitrap
3333 NUM PEAKS: 5
3334 124.05603 201655.0
3335 152.0509 5487354.0
3336 152.08713 528888.0
3337 194.09782 19271964.0
3338 364.07422 2107439.0
3339
3340 FORMULA: C17H21N2O2ClS
3341 INCHIKEY: XGWIJUOSCAQSSV-XHDPSFHLSA-N
3342 SMILES: CC1N(C(=O)SC1c1ccc(cc1)Cl)C(=NC1CCCCC1)O
3343 NAME: Hexythiazox
3344 RETENTIONTIME: 7.46046
3345 PRECURSORMZ: 353.1096
3346 PRECURSORTYPE: [M+H]+
3347 INSTRUMENTTYPE: LC-ESI-Orbitrap
3348 NUM PEAKS: 18
3349 115.0543 1419536.0
3350 116.06212 1728574.0
3351 117.05739 141175.0
3352 125.01533 77703.0
3353 132.08089 464129.0
3354 133.06488 142255.0
3355 133.08878 1059309.0
3356 140.04968 116606.0
3357 141.05769 118308.0
3358 143.06068 285902.0
3359 151.03107 3098662.0
3360 153.03435 252766.0
3361 159.06828 444319.0
3362 168.05769 6763262.0
3363 176.02615 779438.0
3364 194.03688 1165217.0
3365 210.01369 101590.0
3366 228.02509 203533.0
3367
3368 FORMULA: C16H14N2O2S
3369 INCHIKEY: XIGAUIHYSDTJHW-UHFFFAOYSA-N
3370 SMILES: O=C(N(c1ccccc1)C)COc1nc2c(s1)cccc2
3371 NAME: Mefenacet
3372 RETENTIONTIME: 7.143147
3373 PRECURSORMZ: 299.0857
3374 PRECURSORTYPE: [M+H]+
3375 INSTRUMENTTYPE: LC-ESI-Orbitrap
3376 NUM PEAKS: 10
3377 91.05441 4904942.0
3378 93.07003 396728.0
3379 95.04928 309109.0
3380 103.05439 240325.0
3381 105.05748 315163.0
3382 118.06553 748880.0
3383 120.081 20302168.0
3384 136.02161 2145909.0
3385 148.0759 2833957.0
3386 152.01669 272045.0
3387
3388 FORMULA: C14H13NO7S
3389 INCHIKEY: KPUREKXXPHOJQT-UHFFFAOYSA-N
3390 SMILES: O=C1CCCC(=O)C1C(=O)c1ccc(cc1N(=O)=O)S(=O)(=O)C
3391 NAME: Mesotrione
3392 RETENTIONTIME: 4.438974
3393 PRECURSORMZ: 340.0492
3394 PRECURSORTYPE: [M+H]+
3395 INSTRUMENTTYPE: LC-ESI-Orbitrap
3396 NUM PEAKS: 21
3397 92.0498 20384.0
3398 94.02896 22521.0
3399 95.01298 42541.0
3400 104.01339 1414098.0
3401 107.0131 68271.0
3402 108.02079 22960.0
3403 111.04435 27776.0
3404 119.01284 29585.0
3405 122.02398 38301.0
3406 136.03949 15704.0
3407 154.97983 175640.0
3408 166.0137 179306.0
3409 170.00336 47194.0
3410 182.0032 34021.0
3411 214.06305 78325.0
3412 216.00862 81842.0
3413 227.99644 875193.0
3414 260.02258 25724.0
3415 275.03772 37760.0
3416 293.04776 19676.0
3417 294.05606 18376.0
3418
3419 FORMULA: C11H21N5OS
3420 INCHIKEY: DDUIUBPJPOKOMV-UHFFFAOYSA-N
3421 SMILES: COCCCN=c1nc(SC)[nH]c(=NC(C)C)[nH]1
3422 NAME: Methoprotryne
3423 RETENTIONTIME: 4.953537
3424 PRECURSORMZ: 272.1545
3425 PRECURSORTYPE: [M+H]+
3426 INSTRUMENTTYPE: LC-ESI-Orbitrap
3427 NUM PEAKS: 15
3428 91.03273 1224280.0
3429 103.03277 469421.0
3430 108.05575 1098439.0
3431 116.0279 2387399.0
3432 125.0825 7238442.0
3433 150.07768 1073510.0
3434 152.09319 544524.0
3435 156.03424 386143.0
3436 156.05936 523005.0
3437 158.04967 579874.0
3438 170.04977 30639952.0
3439 198.08067 12326767.0
3440 212.09639 2176296.0
3441 230.10741 452827.0
3442 240.1284 1276547.0
3443
3444 FORMULA: C8H14N4OS
3445 INCHIKEY: FOXFZRUHNHCZPX-UHFFFAOYSA-N
3446 SMILES: CSc1nnc(c(=O)n1N)C(C)(C)C
3447 NAME: Metribuzin
3448 RETENTIONTIME: 4.458099
3449 PRECURSORMZ: 215.0965
3450 PRECURSORTYPE: [M+H]+
3451 INSTRUMENTTYPE: LC-ESI-Orbitrap
3452 NUM PEAKS: 62
3453 85.08886 22454.0
3454 87.00137 169483.0
3455 88.00926 84542.0
3456 89.01718 426359.0
3457 95.06072 92527.0
3458 96.04461 50118.0
3459 97.06514 96987.0
3460 98.05901 20223.0
3461 99.09205 39234.0
3462 104.02791 100681.0
3463 108.06841 101836.0
3464 109.07641 56085.0
3465 110.06014 53533.0
3466 110.08431 26239.0
3467 114.03733 55997.0
3468 114.99636 118244.0
3469 115.0202 36933.0
3470 116.01549 91102.0
3471 117.01186 22228.0
3472 123.05569 75674.0
3473 123.07951 19671.0
3474 124.06344 40346.0
3475 124.08718 18832.0
3476 125.07124 54613.0
3477 125.0825 115086.0
3478 126.10277 28501.0
3479 129.03598 19818.0
3480 130.03105 252134.0
3481 131.0276 22354.0
3482 131.03888 1631897.0
3483 139.03265 27241.0
3484 139.09824 52072.0
3485 140.04034 101100.0
3486 141.03566 33429.0
3487 141.04825 19469.0
3488 143.06389 91872.0
3489 144.03552 36694.0
3490 145.05458 227341.0
3491 147.91982 56049.0
3492 147.93188 52360.0
3493 147.93575 42677.0
3494 147.94106 55028.0
3495 153.07755 94895.0
3496 154.04378 27710.0
3497 155.05132 25496.0
3498 155.06427 49916.0
3499 156.05936 708006.0
3500 157.04344 120558.0
3501 157.05453 30768.0
3502 168.02261 18988.0
3503 170.07477 29338.0
3504 171.05882 968992.0
3505 171.07022 30976.0
3506 171.08282 34546.0
3507 172.07808 172693.0
3508 173.50877 74710.0
3509 182.03879 33707.0
3510 183.04619 29308.0
3511 184.05394 333698.0
3512 186.08231 47791.0
3513 187.10153 1851092.0
3514 215.09644 112225.0
3515
3516 FORMULA: C10H19N5S
3517 INCHIKEY: AAEVYOVXGOFMJO-UHFFFAOYSA-N
3518 SMILES: CSc1nc(=NC(C)C)[nH]c(=NC(C)C)[nH]1
3519 NAME: Prometryne
3520 RETENTIONTIME: 4.990861
3521 PRECURSORMZ: 242.1439
3522 PRECURSORTYPE: [M+H]+
3523 INSTRUMENTTYPE: LC-ESI-Orbitrap
3524 NUM PEAKS: 15
3525 85.05116 4457818.0
3526 91.03273 8009682.0
3527 96.05572 6069758.0
3528 102.03746 367626.0
3529 110.04619 4165152.0
3530 110.0716 444450.0
3531 113.0825 1093208.0
3532 116.0279 11189147.0
3533 138.07761 4951850.0
3534 144.05917 3781341.0
3535 158.04646 408855.0
3536 158.04967 34215304.0
3537 173.50693 425480.0
3538 186.08095 16656961.0
3539 200.09659 2036050.0
3540
3541 FORMULA: C19H25N2OClS
3542 INCHIKEY: DWFZBUWUXWZWKD-UHFFFAOYSA-N
3543 SMILES: O=c1c(Cl)c(SCc2ccc(cc2)C(C)(C)C)cnn1C(C)(C)C
3544 NAME: Pyridaben
3545 RETENTIONTIME: 7.556859
3546 PRECURSORMZ: 365.1459
3547 PRECURSORTYPE: [M+H]+
3548 INSTRUMENTTYPE: LC-ESI-Orbitrap
3549 NUM PEAKS: 3
3550 147.11726 1746679.0
3551 309.0834 39061400.0
3552 365.14478 6893662.0
3553
3554 FORMULA: C8H15N5S
3555 INCHIKEY: MGLWZSOBALDPEK-UHFFFAOYSA-N
3556 SMILES: CCN=c1nc(SC)[nH]c(=NCC)[nH]1
3557 NAME: Simetryn
3558 RETENTIONTIME: 3.75983
3559 PRECURSORMZ: 214.1124
3560 PRECURSORTYPE: [M+H]+
3561 INSTRUMENTTYPE: LC-ESI-Orbitrap
3562 NUM PEAKS: 12
3563 91.03273 299056.0
3564 96.05597 10435853.0
3565 102.03746 159989.0
3566 113.0825 349517.0
3567 116.0279 6039216.0
3568 124.08718 4340512.0
3569 138.07761 424357.0
3570 144.05917 2698291.0
3571 158.04967 123923.0
3572 166.10905 576911.0
3573 186.08095 411980.0
3574 214.11266 506708.0
3575
3576 FORMULA: C11H10N4O3Cl2F2S
3577 INCHIKEY: OORLZFUTLGXMEF-UHFFFAOYSA-N
3578 SMILES: Clc1cc(Cl)c(cc1n1nc(n(c1=O)C(F)F)C)NS(=O)(=O)C
3579 NAME: Sulfentrazone
3580 RETENTIONTIME: 4.825635
3581 PRECURSORMZ: 386.99
3582 PRECURSORTYPE: [M+H]+
3583 INSTRUMENTTYPE: LC-ESI-Orbitrap
3584 NUM PEAKS: 48
3585 92.03084 36986.0
3586 109.9793 24541.0
3587 111.99506 13105.0
3588 127.99009 18850.0
3589 136.99023 73690.0
3590 139.00583 127950.0
3591 145.95616 142592.0
3592 146.00066 61013.0
3593 146.96414 17631.0
3594 149.04001 58665.0
3595 155.00107 516575.0
3596 157.95639 179021.0
3597 163.96677 638082.0
3598 172.96719 294246.0
3599 173.50693 15383.0
3600 173.95125 25670.0
3601 173.97466 222766.0
3602 175.96661 26415.0
3603 178.01723 464585.0
3604 180.03255 13838.0
3605 182.01176 108423.0
3606 186.98276 774653.0
3607 190.97755 43534.0
3608 198.94617 336099.0
3609 200.96233 30494.0
3610 212.00275 22753.0
3611 213.9933 128858.0
3612 218.9523 26640.0
3613 221.02235 12118.0
3614 222.03113 12834.0
3615 223.03876 132014.0
3616 226.96516 14865.0
3617 232.00861 308335.0
3618 245.96388 122236.0
3619 246.97118 31675.0
3620 256.99966 41655.0
3621 258.00772 138182.0
3622 271.01935 68960.0
3623 272.02798 110904.0
3624 273.035 1123625.0
3625 274.04276 16257.0
3626 279.98544 298347.0
3627 286.99054 64325.0
3628 287.99789 19349.0
3629 289.03033 15241.0
3630 306.99692 72556.0
3631 308.00412 68794.0
3632 336.99271 19232.0
3633
3634 FORMULA: C10H19N5S
3635 INCHIKEY: IROINLKCQGIITA-UHFFFAOYSA-N
3636 SMILES: CCN=c1nc([nH]c(n1)SC)NC(C)(C)C
3637 NAME: Terbutryn
3638 RETENTIONTIME: 4.990861
3639 PRECURSORMZ: 242.1439
3640 PRECURSORTYPE: [M+H]+
3641 INSTRUMENTTYPE: LC-ESI-Orbitrap
3642 NUM PEAKS: 15
3643 85.05116 4457818.0
3644 91.03273 8009682.0
3645 96.05572 6069758.0
3646 102.03746 367626.0
3647 110.04619 4165152.0
3648 110.0716 444450.0
3649 113.0825 1093208.0
3650 116.0279 11189147.0
3651 138.07761 4951850.0
3652 144.05917 3781341.0
3653 158.04646 408855.0
3654 158.04967 34215304.0
3655 173.50693 425480.0
3656 186.08095 16656961.0
3657 200.09659 2036050.0
3658
3659 FORMULA: C10H7N3S
3660 INCHIKEY: WJCNZQLZVWNLKY-UHFFFAOYSA-N
3661 SMILES: c1scc(n1)c1nc2c([nH]1)cccc2
3662 NAME: Thiabendazole
3663 RETENTIONTIME: 2.44406
3664 PRECURSORMZ: 202.0437
3665 PRECURSORTYPE: [M+H]+
3666 INSTRUMENTTYPE: LC-ESI-Orbitrap
3667 NUM PEAKS: 7
3668 92.0498 482307.0
3669 131.06062 3699935.0
3670 143.06068 408061.0
3671 158.07153 301732.0
3672 170.07179 139529.0
3673 175.03255 9873992.0
3674 202.04396 3731232.0
3675
3676 FORMULA: C10H9N4ClS
3677 INCHIKEY: HOKKPVIRMVDYPB-UHFFFAOYSA-N
3678 SMILES: N#CN=C1SCCN1Cc1ccc(nc1)Cl
3679 NAME: Thiacloprid
3680 RETENTIONTIME: 4.159843
3681 PRECURSORMZ: 253.0315
3682 PRECURSORTYPE: [M+H]+
3683 INSTRUMENTTYPE: LC-ESI-Orbitrap
3684 NUM PEAKS: 6
3685 90.03403 1177314.0
3686 91.04182 256154.0
3687 98.99973 1052050.0
3688 108.0446 146293.0
3689 126.01085 11655971.0
3690 144.02113 633179.0
3691
3692 FORMULA: C8H10N5O3ClS
3693 INCHIKEY: NWWZPOKUUAIXIW-UHFFFAOYSA-N
3694 SMILES: CN1COCN(C1=NN(=O)=O)Cc1cnc(s1)Cl
3695 NAME: Thiamethoxam
3696 RETENTIONTIME: 2.35524
3697 PRECURSORMZ: 292.0273
3698 PRECURSORTYPE: [M+H]+
3699 INSTRUMENTTYPE: LC-ESI-Orbitrap
3700 NUM PEAKS: 10
3701 131.96729 856494.0
3702 174.9729 61417.0
3703 180.04681 65222.0
3704 181.0547 129376.0
3705 210.05699 499700.0
3706 211.06477 3262623.0
3707 245.02655 33196.0
3708 246.0343 359117.0
3709 248.02554 112237.0
3710 292.02722 584625.0
3711
3712 FORMULA: C9H7N3S
3713 INCHIKEY: DQJCHOQLCLEDLL-UHFFFAOYSA-N
3714 SMILES: Cc1cccc2c1n1cnnc1s2
3715 NAME: Tricyclazole
3716 RETENTIONTIME: 5.514598
3717 PRECURSORMZ: 190.0439
3718 PRECURSORTYPE: [M+H]+
3719 INSTRUMENTTYPE: LC-ESI-Orbitrap
3720 NUM PEAKS: 10
3721 92.0498 1103195.0
3722 109.01101 3220386.0
3723 119.06059 619856.0
3724 127.02138 192273.0
3725 129.04501 178061.0
3726 130.04021 316945.0
3727 136.02161 16492967.0
3728 137.01691 212259.0
3729 163.03258 14491751.0
3730 190.04391 4390148.0
3731
3732 FORMULA: C17H12N2OCl2
3733 INCHIKEY: NHOWDZOIZKMVAI-KRWDZBQOSA-N
3734 SMILES: Clc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
3735 NAME: Fenarimol
3736 RETENTIONTIME: 6.876775
3737 PRECURSORMZ: 331.0412
3738 PRECURSORTYPE: [M+H]+
3739 INSTRUMENTTYPE: LC-ESI-Orbitrap
3740 NUM PEAKS: 60
3741 129.01041 62692.0
3742 138.99483 4713270.0
3743 139.00581 348352.0
3744 140.02657 87193.0
3745 149.01559 101793.0
3746 156.06877 160067.0
3747 157.07619 145321.0
3748 160.97346 447898.0
3749 161.97681 363570.0
3750 164.0265 120667.0
3751 165.07053 109460.0
3752 178.07843 118150.0
3753 183.0555 74353.0
3754 184.06332 56066.0
3755 185.07138 63091.0
3756 189.07033 2498508.0
3757 192.02161 92048.0
3758 192.04518 47251.0
3759 199.0313 150848.0
3760 200.03886 96007.0
3761 203.07297 92058.0
3762 204.08092 678200.0
3763 205.06487 253030.0
3764 205.08929 197254.0
3765 206.07339 64967.0
3766 212.03918 81877.0
3767 216.08105 187436.0
3768 217.06558 157687.0
3769 219.0323 135275.0
3770 220.0406 48463.0
3771 223.03162 1274143.0
3772 224.03886 340107.0
3773 225.04663 54849.0
3774 231.0923 53552.0
3775 232.07594 380360.0
3776 232.09967 52199.0
3777 232.99239 244669.0
3778 233.08405 997290.0
3779 235.00783 124586.0
3780 238.04195 729158.0
3781 240.05751 690775.0
3782 241.04176 517674.0
3783 241.06586 115853.0
3784 242.08463 143951.0
3785 243.09258 198185.0
3786 250.04214 378960.0
3787 251.0031 434485.0
3788 251.02657 76166.0
3789 251.05006 585923.0
3790 252.03401 1565574.0
3791 259.00827 2379846.0
3792 259.08661 47950.0
3793 266.03717 318342.0
3794 267.04504 216878.0
3795 267.06848 215642.0
3796 268.05276 3869425.0
3797 276.03445 91579.0
3798 277.0527 143152.0
3799 278.06161 515869.0
3800 279.06857 114232.0
3801
3802 FORMULA: C19H17N4Cl
3803 INCHIKEY: RQDJADAKIFFEKQ-IBGZPJMESA-N
3804 SMILES: N#CC(c1ccccc1)(Cn1cncn1)CCc1ccc(cc1)Cl
3805 NAME: Fenbuconazole
3806 RETENTIONTIME: 7.045859
3807 PRECURSORMZ: 337.1223
3808 PRECURSORTYPE: [M+H]+
3809 INSTRUMENTTYPE: LC-ESI-Orbitrap
3810 NUM PEAKS: 9
3811 89.03882 491858.0
3812 91.05441 1708709.0
3813 103.05439 763259.0
3814 125.01532 31583906.0
3815 128.062 614101.0
3816 129.07021 1018109.0
3817 139.0309 716816.0
3818 155.06064 335216.0
3819 163.0309 736285.0
3820
3821 FORMULA: C16H8N5OCl2F
3822 INCHIKEY: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
3823 SMILES: Clc1ccc(c(c1)Cl)n1c(nc2c(c1=O)cc(cc2)F)n1cncn1
3824 NAME: Fluquinconazole
3825 RETENTIONTIME: 7.093534
3826 PRECURSORMZ: 376.0173
3827 PRECURSORTYPE: [M+H]+
3828 INSTRUMENTTYPE: LC-ESI-Orbitrap
3829 NUM PEAKS: 22
3830 108.02471 848273.0
3831 123.99523 983397.0
3832 126.03514 85852.0
3833 158.97679 294325.0
3834 163.03033 1264696.0
3835 181.04097 120423.0
3836 195.05714 105799.0
3837 243.01224 134077.0
3838 244.01985 783328.0
3839 251.97818 94741.0
3840 272.01474 3792436.0
3841 278.98978 1325774.0
3842 279.97287 100928.0
3843 287.02576 171499.0
3844 306.98392 7738432.0
3845 313.02911 148350.0
3846 314.03632 96754.0
3847 324.99539 291864.0
3848 331.97888 91552.0
3849 339.01056 449848.0
3850 349.00613 731296.0
3851 349.98984 271485.0
3852
3853 FORMULA: C16H13N3OF2
3854 INCHIKEY: JWUCHKBSVLQQCO-INIZCTEOSA-N
3855 SMILES: Fc1ccc(cc1)C(c1ccccc1F)(Cn1cncn1)O
3856 NAME: Flutriafol
3857 RETENTIONTIME: 5.240544
3858 PRECURSORMZ: 302.1111
3859 PRECURSORTYPE: [M+H]+
3860 INSTRUMENTTYPE: LC-ESI-Orbitrap
3861 NUM PEAKS: 11
3862 109.04492 5549990.0
3863 113.03991 603136.0
3864 123.02199 197823.0
3865 123.02419 14667272.0
3866 123.03517 2231147.0
3867 137.03973 187845.0
3868 165.06996 216662.0
3869 194.05283 196543.0
3870 195.06081 577107.0
3871 214.05884 311976.0
3872 215.0668 353163.0
3873
3874 FORMULA: C11H8N2O
3875 INCHIKEY: UYJUZNLFJAWNEZ-UHFFFAOYSA-N
3876 SMILES: c1coc(c1)c1nc2c([nH]1)cccc2
3877 NAME: Fuberidazole
3878 RETENTIONTIME: 2.456748
3879 PRECURSORMZ: 185.0715
3880 PRECURSORTYPE: [M+H]+
3881 INSTRUMENTTYPE: LC-ESI-Orbitrap
3882 NUM PEAKS: 15
3883 92.0498 2714348.0
3884 103.05439 924742.0
3885 118.05279 1356359.0
3886 119.06059 1561269.0
3887 128.04956 416024.0
3888 129.04501 934098.0
3889 129.05762 1711080.0
3890 130.06528 5627980.0
3891 131.06062 2006719.0
3892 142.05298 1703655.0
3893 143.06068 769483.0
3894 155.06064 2222038.0
3895 156.06877 35950644.0
3896 157.07619 39653584.0
3897 185.0714 6790632.0
3898
3899 FORMULA: C15H18N3OCl
3900 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
3901 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
3902 NAME: Cyproconazole_1
3903 RETENTIONTIME: 6.138374
3904 PRECURSORMZ: 292.122
3905 PRECURSORTYPE: [M+H]+
3906 INSTRUMENTTYPE: LC-ESI-Orbitrap
3907 NUM PEAKS: 4
3908 89.03882 111896.0
3909 125.01532 6537308.0
3910 138.99483 329090.0
3911 139.00581 166501.0
3912
3913 FORMULA: C15H18N3OCl
3914 INCHIKEY: UFNOUKDBUJZYDE-UHFFFAOYSA-N
3915 SMILES: CC(C(c1ccc(cc1)Cl)(Cn1ncnc1)O)C1CC1
3916 NAME: Cyproconazole_2
3917 RETENTIONTIME: 6.36811
3918 PRECURSORMZ: 292.1225
3919 PRECURSORTYPE: [M+H]+
3920 INSTRUMENTTYPE: LC-ESI-Orbitrap
3921 NUM PEAKS: 4
3922 89.03882 144933.0
3923 125.01532 8553550.0
3924 138.99483 403028.0
3925 139.00581 198856.0
3926
3927 FORMULA: C15H19N3OCl2
3928 INCHIKEY: URDNHJIVMYZFRT-UHFFFAOYSA-N
3929 SMILES: Clc1ccc(c(c1)Cl)CC(C(C(C)(C)C)O)n1cncn1
3930 NAME: Diclobutrazol
3931 RETENTIONTIME: 6.830443
3932 PRECURSORMZ: 328.0983
3933 PRECURSORTYPE: [M+H]+
3934 INSTRUMENTTYPE: LC-ESI-Orbitrap
3935 NUM PEAKS: 11
3936 122.99965 485826.0
3937 125.01532 529574.0
3938 137.01562 496542.0
3939 158.97626 45675696.0
3940 164.03891 599051.0
3941 172.9556 1689517.0
3942 172.99223 1044544.0
3943 174.97104 486149.0
3944 186.97108 498843.0
3945 190.96622 746907.0
3946 199.00793 579087.0
3947
3948 FORMULA: C19H17N3O3Cl2
3949 INCHIKEY: BQYJATMQXGBDHF-UHFFFAOYSA-N
3950 SMILES: CC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Oc1ccc(cc1)Cl
3951 NAME: Difenoconazole
3952 RETENTIONTIME: 7.351549
3953 PRECURSORMZ: 406.0727
3954 PRECURSORTYPE: [M+H]+
3955 INSTRUMENTTYPE: LC-ESI-Orbitrap
3956 NUM PEAKS: 13
3957 129.07021 341601.0
3958 139.00626 338485.0
3959 141.01048 334473.0
3960 152.06247 924840.0
3961 153.07042 500230.0
3962 181.06517 598188.0
3963 187.03149 1315167.0
3964 188.03915 3752594.0
3965 215.02702 454036.0
3966 216.03418 363614.0
3967 223.00838 2665156.0
3968 251.0031 32513990.0
3969 264.98291 3756956.0
3970
3971 FORMULA: C15H17N3OCl2
3972 INCHIKEY: FBOUIAKEJMZPQG-CQSZACIVSA-N
3973 SMILES: Clc1ccc(c(c1)Cl)C=C(C(C(C)(C)C)O)n1cncn1
3974 NAME: Diniconazole
3975 RETENTIONTIME: 6.999194
3976 PRECURSORMZ: 326.0832
3977 PRECURSORTYPE: [M+H]+
3978 INSTRUMENTTYPE: LC-ESI-Orbitrap
3979 NUM PEAKS: 52
3980 87.0807 115189.0
3981 110.0716 52760.0
3982 123.00002 65949.0
3983 136.00755 116731.0
3984 137.01562 125799.0
3985 141.07028 87788.0
3986 143.08594 53581.0
3987 145.0649 52799.0
3988 148.08749 54447.0
3989 150.02344 61653.0
3990 153.07042 57255.0
3991 154.07816 75541.0
3992 158.97679 4013011.0
3993 162.0233 223821.0
3994 164.03891 43958.0
3995 165.01022 141964.0
3996 166.0183 79777.0
3997 169.10155 324107.0
3998 170.97658 348553.0
3999 172.95621 929271.0
4000 172.96719 160833.0
4001 172.99223 196389.0
4002 175.0313 83110.0
4003 176.03931 389366.0
4004 179.02609 125863.0
4005 180.03384 98155.0
4006 182.07175 55824.0
4007 182.97643 126111.0
4008 184.99236 46623.0
4009 185.98766 43685.0
4010 189.0215 81465.0
4011 189.04662 463062.0
4012 190.02985 105876.0
4013 191.02502 124599.0
4014 193.04185 237565.0
4015 196.99208 133380.0
4016 203.03725 47288.0
4017 203.06287 40626.0
4018 204.07076 337511.0
4019 205.01678 42726.0
4020 207.0574 131489.0
4021 209.9998 62865.0
4022 216.03247 187324.0
4023 217.0407 287524.0
4024 224.01547 69804.0
4025 230.04839 54464.0
4026 234.04297 67828.0
4027 240.0096 86885.0
4028 252.00932 126391.0
4029 264.0097 43206.0
4030 270.01987 48934.0
4031 278.02554 102202.0
4032
4033 FORMULA: C17H13N3OClF
4034 INCHIKEY: ZMYFCFLJBGAQRS-IAGOWNOFSA-N
4035 SMILES: Fc1ccc(cc1)C1(Cn2cncn2)OC1c1ccccc1Cl
4036 NAME: Epoxiconazole
4037 RETENTIONTIME: 6.999194
4038 PRECURSORMZ: 330.0806
4039 PRECURSORTYPE: [M+H]+
4040 INSTRUMENTTYPE: LC-ESI-Orbitrap
4041 NUM PEAKS: 12
4042 91.05464 783917.0
4043 101.03878 454726.0
4044 113.01572 623551.0
4045 113.04023 604178.0
4046 119.04978 1591248.0
4047 121.04307 362239.0
4048 121.04521 27069946.0
4049 123.02455 5942544.0
4050 123.03517 2030362.0
4051 129.04501 7068444.0
4052 138.99483 468356.0
4053 141.01048 1219612.0
4054
4055 FORMULA: C14H15N3O2Cl2
4056 INCHIKEY: DWRKFAJEBUWTQM-UHFFFAOYSA-N
4057 SMILES: CCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
4058 NAME: Etaconazole
4059 RETENTIONTIME: 6.802904
4060 PRECURSORMZ: 328.0626
4061 PRECURSORTYPE: [M+H]+
4062 INSTRUMENTTYPE: LC-ESI-Orbitrap
4063 NUM PEAKS: 10
4064 122.99965 480348.0
4065 125.01532 599928.0
4066 137.01562 455760.0
4067 158.97626 39434140.0
4068 164.03891 610435.0
4069 172.9556 1469728.0
4070 172.99223 970218.0
4071 174.97166 597883.0
4072 190.96622 527039.0
4073 199.00793 567443.0
4074
4075 FORMULA: C11H19N3O
4076 INCHIKEY: BBXXLROWFHWFQY-UHFFFAOYSA-N
4077 SMILES: CCCCc1c(O)nc(=NCC)[nH]c1C
4078 NAME: Ethirimol
4079 RETENTIONTIME: 2.246086
4080 PRECURSORMZ: 210.1608
4081 PRECURSORTYPE: [M+H]+
4082 INSTRUMENTTYPE: LC-ESI-Orbitrap
4083 NUM PEAKS: 32
4084 93.07027 325229.0
4085 95.06072 869968.0
4086 95.08585 891568.0
4087 96.0446 781962.0
4088 97.03999 1008744.0
4089 98.06031 16588468.0
4090 105.07019 215544.0
4091 107.07314 1858556.0
4092 109.0761 345145.0
4093 110.06044 242964.0
4094 110.0716 341679.0
4095 110.09671 170712.0
4096 111.07922 353713.0
4097 112.11221 261603.0
4098 114.06642 269861.0
4099 120.081 391118.0
4100 122.07138 761007.0
4101 122.08405 230087.0
4102 122.09672 693029.0
4103 123.05569 456004.0
4104 124.06344 347297.0
4105 138.06627 3057256.0
4106 139.07446 2046408.0
4107 140.10709 14705233.0
4108 150.10286 1256237.0
4109 152.08211 570565.0
4110 165.10242 2897067.0
4111 166.09755 407251.0
4112 167.10577 1091732.0
4113 182.12912 2661313.0
4114 193.13402 1554662.0
4115 210.15997 2414378.0
4116
4117 FORMULA: C14H17N3OCl2
4118 INCHIKEY: STMIIPIFODONDC-AWEZNQCLSA-N
4119 SMILES: CCCCC(c1ccc(cc1Cl)Cl)(Cn1cncn1)O
4120 NAME: Hexaconazole
4121 RETENTIONTIME: 6.793731
4122 PRECURSORMZ: 314.0833
4123 PRECURSORTYPE: [M+H]+
4124 INSTRUMENTTYPE: LC-ESI-Orbitrap
4125 NUM PEAKS: 16
4126 115.05463 149487.0
4127 123.00002 104704.0
4128 125.0157 1580755.0
4129 129.01041 156034.0
4130 136.00755 162737.0
4131 139.00626 458884.0
4132 146.97656 554008.0
4133 149.01559 424582.0
4134 150.02344 1003022.0
4135 153.01047 351412.0
4136 158.97679 7629371.0
4137 170.97658 545468.0
4138 172.99223 112377.0
4139 174.97166 740773.0
4140 184.99236 690533.0
4141 188.98734 151249.0
4142
4143 FORMULA: C18H24N3OCl
4144 INCHIKEY: QTYCMDBMOLSEAM-UHFFFAOYSA-N
4145 SMILES: CC(C1CCC(C1(O)Cn1ncnc1)Cc1ccc(cc1)Cl)C
4146 NAME: Ipconazole
4147 RETENTIONTIME: 7.112235
4148 PRECURSORMZ: 334.1694
4149 PRECURSORTYPE: [M+H]+
4150 INSTRUMENTTYPE: LC-ESI-Orbitrap
4151 NUM PEAKS: 18
4152 89.03882 79221.0
4153 95.08585 152078.0
4154 109.10148 351087.0
4155 115.05463 110112.0
4156 116.06245 125067.0
4157 125.01532 7756546.0
4158 128.06239 168573.0
4159 130.078 83461.0
4160 139.03134 219182.0
4161 142.07797 176298.0
4162 149.01559 120448.0
4163 151.03107 544953.0
4164 155.06064 99629.0
4165 156.09335 164234.0
4166 163.0309 672001.0
4167 165.04663 173374.0
4168 177.04655 269267.0
4169 191.06258 291856.0
4170
4171 FORMULA: C17H22N3OCl
4172 INCHIKEY: XWPZUHJBOLQNMN-UHFFFAOYSA-N
4173 SMILES: OC1(Cn2ncnc2)C(CCC1(C)C)Cc1ccc(cc1)Cl
4174 NAME: Metconazole
4175 RETENTIONTIME: 7.017605
4176 PRECURSORMZ: 320.1538
4177 PRECURSORTYPE: [M+H]+
4178 INSTRUMENTTYPE: LC-ESI-Orbitrap
4179 NUM PEAKS: 13
4180 95.08585 468079.0
4181 107.08563 155599.0
4182 125.01532 7873925.0
4183 128.06239 109318.0
4184 139.0309 414801.0
4185 141.07028 83342.0
4186 142.07797 413140.0
4187 151.03107 437268.0
4188 156.09335 90865.0
4189 163.0309 398692.0
4190 165.04663 82686.0
4191 177.04655 645875.0
4192 191.06258 194319.0
4193
4194 FORMULA: C17H12N2OClF
4195 INCHIKEY: SAPGTCDSBGMXCD-KRWDZBQOSA-N
4196 SMILES: Fc1ccc(cc1)C(c1ccccc1Cl)(c1cncnc1)O
4197 NAME: Nuarimol
4198 RETENTIONTIME: 6.452959
4199 PRECURSORMZ: 315.0705
4200 PRECURSORTYPE: [M+H]+
4201 INSTRUMENTTYPE: LC-ESI-Orbitrap
4202 NUM PEAKS: 59
4203 113.03991 15277.0
4204 123.02419 689099.0
4205 123.03554 68936.0
4206 128.04956 14564.0
4207 129.01041 14843.0
4208 133.0451 22041.0
4209 138.99483 1332636.0
4210 139.00581 94456.0
4211 140.02657 19300.0
4212 146.06032 14189.0
4213 148.05606 39683.0
4214 149.01559 14981.0
4215 155.06064 19858.0
4216 156.06824 55221.0
4217 157.07619 36997.0
4218 164.0265 18608.0
4219 175.06673 21221.0
4220 176.05058 19072.0
4221 177.06996 49682.0
4222 183.0555 30209.0
4223 183.06081 88118.0
4224 184.06332 19768.0
4225 184.06868 59202.0
4226 196.06854 97299.0
4227 197.07671 61139.0
4228 203.0621 35166.0
4229 204.06998 19803.0
4230 204.08092 49291.0
4231 205.06487 29754.0
4232 207.06059 882384.0
4233 208.0686 634275.0
4234 209.07669 25592.0
4235 217.0218 165488.0
4236 219.03754 41019.0
4237 222.07198 384808.0
4238 223.03162 30017.0
4239 223.0799 43854.0
4240 224.08748 416242.0
4241 225.07111 247098.0
4242 225.09467 22048.0
4243 231.03761 14704.0
4244 232.07594 99246.0
4245 234.07179 197210.0
4246 235.032 192527.0
4247 235.05521 28642.0
4248 235.07939 264307.0
4249 236.06332 486776.0
4250 242.08463 14147.0
4251 243.03766 1030291.0
4252 250.06654 105369.0
4253 251.07462 143926.0
4254 251.0981 73184.0
4255 252.08234 1413294.0
4256 260.06421 35847.0
4257 261.08243 111553.0
4258 262.0907 121243.0
4259 263.09796 32958.0
4260 269.04013 16405.0
4261 270.04846 16960.0
4262
4263 FORMULA: C15H20N3OCl
4264 INCHIKEY: RMOGWMIKYWRTKW-UONOGXRCSA-N
4265 SMILES: OC(C(C)(C)C)C(n1ncnc1)Cc1ccc(cc1)Cl
4266 NAME: Paclobutrazol
4267 RETENTIONTIME: 6.358851
4268 PRECURSORMZ: 294.1362
4269 PRECURSORTYPE: [M+H]+
4270 INSTRUMENTTYPE: LC-ESI-Orbitrap
4271 NUM PEAKS: 22
4272 87.0807 394679.0
4273 89.03882 144548.0
4274 91.05441 100589.0
4275 95.04928 72012.0
4276 102.04659 60868.0
4277 103.05439 512214.0
4278 113.0154 191248.0
4279 115.0543 61507.0
4280 116.06211 61856.0
4281 125.01532 6037114.0
4282 126.01882 85997.0
4283 127.01254 4019573.0
4284 129.07021 226797.0
4285 130.078 602958.0
4286 137.01562 331896.0
4287 139.0309 780894.0
4288 140.99162 137268.0
4289 141.00285 65567.0
4290 141.01048 108664.0
4291 151.03107 202825.0
4292 165.04663 986782.0
4293 173.50876 86407.0
4294
4295 FORMULA: C13H15N3Cl2
4296 INCHIKEY: WKBPZYKAUNRMKP-JTQLQIEISA-N
4297 SMILES: CCCC(c1ccc(cc1Cl)Cl)Cn1cncn1
4298 NAME: Penconazole
4299 RETENTIONTIME: 6.747501
4300 PRECURSORMZ: 284.0724
4301 PRECURSORTYPE: [M+H]+
4302 INSTRUMENTTYPE: LC-ESI-Orbitrap
4303 NUM PEAKS: 5
4304 102.04659 746383.0
4305 122.99965 1405085.0
4306 137.01562 2859486.0
4307 158.97626 62049868.0
4308 172.99223 3885430.0
4309
4310 FORMULA: C15H17N3O2Cl2
4311 INCHIKEY: STJLVHWMYQXCPB-UHFFFAOYSA-N
4312 SMILES: CCCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl
4313 NAME: Propiconazole
4314 RETENTIONTIME: 6.999194
4315 PRECURSORMZ: 342.0777
4316 PRECURSORTYPE: [M+H]+
4317 INSTRUMENTTYPE: LC-ESI-Orbitrap
4318 NUM PEAKS: 5
4319 122.99965 303053.0
4320 158.97626 24240670.0
4321 172.9556 1323126.0
4322 186.97108 391981.0
4323 190.96622 431621.0
4324
4325 FORMULA: C16H22N3OCl
4326 INCHIKEY: PXMNMQRDXWABCY-INIZCTEOSA-N
4327 SMILES: Clc1ccc(cc1)CCC(C(C)(C)C)(Cn1cncn1)O
4328 NAME: Tebuconazole
4329 RETENTIONTIME: 6.933391
4330 PRECURSORMZ: 308.1532
4331 PRECURSORTYPE: [M+H]+
4332 INSTRUMENTTYPE: LC-ESI-Orbitrap
4333 NUM PEAKS: 15
4334 89.03882 78455.0
4335 103.05439 150981.0
4336 115.0543 806550.0
4337 116.06211 1104744.0
4338 125.01532 7312966.0
4339 129.07021 192428.0
4340 130.078 394675.0
4341 133.06488 89665.0
4342 137.01562 81241.0
4343 139.0309 552019.0
4344 143.06068 143813.0
4345 144.09352 109186.0
4346 151.03107 2225088.0
4347 165.04663 474739.0
4348 179.0621 93619.0
4349
4350 FORMULA: C13H11N3OCl2F4
4351 INCHIKEY: LQDARGUHUSPFNL-QMMMGPOBSA-N
4352 SMILES: Clc1ccc(c(c1)Cl)C(Cn1cncn1)COC(C(F)F)(F)F
4353 NAME: Tetraconazole
4354 RETENTIONTIME: 6.434036
4355 PRECURSORMZ: 372.0302
4356 PRECURSORTYPE: [M+H]+
4357 INSTRUMENTTYPE: LC-ESI-Orbitrap
4358 NUM PEAKS: 6
4359 115.05463 210733.0
4360 149.01559 493803.0
4361 150.02344 1143618.0
4362 158.97679 15780315.0
4363 176.96693 301907.0
4364 184.99236 249943.0
4365
4366 FORMULA: C15H15N3OClF3
4367 INCHIKEY: HSMVPDGQOIQYSR-UHFFFAOYSA-N
4368 SMILES: CCCOCC(=Nc1ccc(cc1C(F)(F)F)Cl)n1cncc1
4369 NAME: Triflumizole
4370 RETENTIONTIME: 6.821252
4371 PRECURSORMZ: 346.094
4372 PRECURSORTYPE: [M+H]+
4373 INSTRUMENTTYPE: LC-ESI-Orbitrap
4374 NUM PEAKS: 2
4375 278.05542 29552484.0
4376 346.09351 955540.0
4377
4378 FORMULA: C17H20N3OCl
4379 INCHIKEY: PPDBOQMNKNNODG-QGZVFWFLSA-N
4380 SMILES: OC1(Cn2ncnc2)C(=Cc2ccc(cc2)Cl)CCC1(C)C
4381 NAME: Triticonazole
4382 RETENTIONTIME: 6.793731
4383 PRECURSORMZ: 318.1369
4384 PRECURSORTYPE: [M+H]+
4385 INSTRUMENTTYPE: LC-ESI-Orbitrap
4386 NUM PEAKS: 59
4387 89.03882 57349.0
4388 91.05464 43853.0
4389 95.04953 68354.0
4390 95.08585 78735.0
4391 105.04505 52373.0
4392 105.07019 44975.0
4393 109.06509 75668.0
4394 109.10148 51915.0
4395 113.01572 53023.0
4396 115.05463 68376.0
4397 123.0806 45319.0
4398 124.08866 67815.0
4399 125.0157 4347652.0
4400 127.01254 310325.0
4401 128.06239 303332.0
4402 130.078 46406.0
4403 138.99483 44710.0
4404 139.03134 105057.0
4405 141.0033 76537.0
4406 141.01048 71845.0
4407 141.07028 162099.0
4408 142.07797 64263.0
4409 145.0649 84426.0
4410 149.01559 164192.0
4411 150.97079 108504.0
4412 151.01263 78052.0
4413 151.03107 81877.0
4414 152.0202 168874.0
4415 152.06247 59642.0
4416 153.06992 138585.0
4417 154.07816 168480.0
4418 155.00728 52088.0
4419 155.06064 174636.0
4420 155.07307 63253.0
4421 155.08603 105852.0
4422 156.09389 497246.0
4423 160.97346 52002.0
4424 161.97681 59631.0
4425 162.0233 93274.0
4426 162.97058 1449389.0
4427 163.0309 743940.0
4428 165.04663 51233.0
4429 165.06996 567265.0
4430 166.07343 191274.0
4431 167.0768 126513.0
4432 167.08606 45824.0
4433 174.97041 93433.0
4434 175.0313 553302.0
4435 176.03931 76155.0
4436 177.04655 73758.0
4437 178.96568 128779.0
4438 181.10179 157033.0
4439 185.07611 76498.0
4440 188.98663 142622.0
4441 189.04662 686868.0
4442 189.05568 66741.0
4443 190.04179 48399.0
4444 191.06258 581232.0
4445 196.12456 74697.0
4446
4447 FORMULA: C43H69NO10
4448 INCHIKEY: KWVYSEWJJXXTEZ-GDMNSMANSA-N
4449 SMILES: CCOC1C(OC)C(OC2CC3C(C2)C(=CC2C3C=C3C2CC(=O)OC(CC)CCCC(C(C3=O)C)OC2CCC(C(O2)C)N(C)C)C)OC(C1OC)C
4450 NAME: Spinetoram L
4451 RETENTIONTIME: 6.970665
4452 PRECURSORMZ: 760.5021
4453 PRECURSORTYPE: [M+H]+
4454 INSTRUMENTTYPE: LC-ESI-Orbitrap
4455 NUM PEAKS: 21
4456 85.06505 76410.0
4457 87.04429 159491.0
4458 95.04928 101292.0
4459 97.06514 990457.0
4460 98.09655 3217928.0
4461 99.04415 293676.0
4462 99.08067 604833.0
4463 101.06004 88798.0
4464 111.04435 94328.0
4465 115.0755 369305.0
4466 124.11241 164399.0
4467 125.05997 306356.0
4468 127.07556 185334.0
4469 142.12299 6861919.0
4470 157.08623 113064.0
4471 160.13321 150610.0
4472 169.10155 133452.0
4473 173.50752 93996.0
4474 183.11732 117521.0
4475 211.11166 121662.0
4476 213.09132 89441.0
4477
4478 FORMULA: C49H75NO13
4479 INCHIKEY: GCKZANITAMOIAR-XWVCPFKXSA-N
4480 SMILES: CCC(C1OC2(C=CC1C)OC1CC=C(C)C(OC3CC(OC)C(C(O3)C)OC3CC(OC)C(C(O3)C)NC)C(C)C=CC=C3C4(C(C(=O)OC(C2)C1)C=C(C)C(C4OC3)O)O)C
4481 NAME: Emamectin benzoate
4482 RETENTIONTIME: 6.999389
4483 PRECURSORMZ: 886.5328
4484 PRECURSORTYPE: [M+H]+
4485 INSTRUMENTTYPE: LC-ESI-Orbitrap
4486 NUM PEAKS: 11
4487 95.04928 292923.0
4488 98.06031 268499.0
4489 108.08107 688810.0
4490 109.10148 229513.0
4491 114.0916 233366.0
4492 119.08569 201386.0
4493 123.11689 375128.0
4494 126.09174 1876739.0
4495 140.10709 213152.0
4496 158.11794 18414448.0
4497 173.50876 230972.0
4498
4499 FORMULA: C20H33NO
4500 INCHIKEY: RYAUSSKQMZRMAI-ALOPSCKCSA-N
4501 SMILES: CC(Cc1ccc(cc1)C(C)(C)C)CN1CC(C)OC(C1)C
4502 NAME: Fenpropimorph
4503 RETENTIONTIME: 4.613603
4504 PRECURSORMZ: 304.2642
4505 PRECURSORTYPE: [M+H]+
4506 INSTRUMENTTYPE: LC-ESI-Orbitrap
4507 NUM PEAKS: 14
4508 91.05441 1025363.0
4509 98.09655 5764430.0
4510 102.09142 427096.0
4511 105.0699 3838997.0
4512 107.08563 608609.0
4513 116.10709 2962134.0
4514 117.06997 1187727.0
4515 119.08569 5923314.0
4516 130.1226 4460902.0
4517 132.09351 5501752.0
4518 145.10147 350602.0
4519 147.11678 29169826.0
4520 161.13254 881881.0
4521 304.26379 2555976.0
4522
4523 FORMULA: C21H24O4Cl2
4524 INCHIKEY: DTDSAWVUFPGDMX-UHFFFAOYSA-N
4525 SMILES: CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1cc(Cl)cc(c1)Cl)(C)C
4526 NAME: Spirodiclofen
4527 RETENTIONTIME: 7.279784
4528 PRECURSORMZ: 411.1127
4529 PRECURSORTYPE: [M+H]+
4530 INSTRUMENTTYPE: LC-ESI-Orbitrap
4531 NUM PEAKS: 3
4532 313.03357 548684.0
4533 313.03952 12618725.0
4534 411.11246 2380661.0
4535
4536 FORMULA: C41H65NO10
4537 INCHIKEY: SRJQTHAZUNRMPR-SFGMUSMWSA-N
4538 SMILES: CCC1CCCC(OC2CCC(C(O2)C)N(C)C)C(C)C(=O)C2=CC3C(C2CC(=O)O1)C=CC1C3CC(C1)OC1OC(C)C(C(C1OC)OC)OC
4539 NAME: Spinosad
4540 RETENTIONTIME: 6.884336
4541 PRECURSORMZ: 732.4695
4542 PRECURSORTYPE: [M+H]+
4543 INSTRUMENTTYPE: LC-ESI-Orbitrap
4544 NUM PEAKS: 24
4545 85.06505 290872.0
4546 95.08585 281431.0
4547 97.06514 4107321.0
4548 98.09655 11811636.0
4549 99.04415 1980639.0
4550 99.08067 1702591.0
4551 101.05976 1777858.0
4552 113.05991 355791.0
4553 115.0755 428942.0
4554 124.11241 549097.0
4555 125.05997 1372437.0
4556 129.09106 504378.0
4557 142.12299 24420248.0
4558 145.08598 799808.0
4559 155.08551 1085827.0
4560 157.08623 650576.0
4561 160.13321 457492.0
4562 169.10155 538427.0
4563 173.50937 310025.0
4564 183.08075 246373.0
4565 197.09599 753984.0
4566 199.07574 416158.0
4567 201.0916 354498.0
4568 225.09103 339682.0
4569
4570 FORMULA: C21H27NO5
4571 INCHIKEY: CLSVJBIHYWPGQY-UHFFFAOYSA-N
4572 SMILES: CCOC(=O)OC1=C(C(=NC21CCC(CC2)OC)O)c1cc(C)ccc1C
4573 NAME: Spirotetramat
4574 RETENTIONTIME: 6.637813
4575 PRECURSORMZ: 374.1972
4576 PRECURSORTYPE: [M+H]+
4577 INSTRUMENTTYPE: LC-ESI-Orbitrap
4578 NUM PEAKS: 25
4579 117.07031 3145654.0
4580 119.08569 1788706.0
4581 131.08598 559926.0
4582 143.08594 1443391.0
4583 145.06535 755443.0
4584 145.10147 3741174.0
4585 147.08087 660014.0
4586 155.08603 1939864.0
4587 157.10155 488130.0
4588 160.11253 518572.0
4589 169.10155 615151.0
4590 173.06003 2045691.0
4591 173.09608 1047769.0
4592 182.10933 614118.0
4593 183.11732 922964.0
4594 188.10699 1101991.0
4595 192.09375 469162.0
4596 197.13313 1231311.0
4597 207.11739 667038.0
4598 216.10236 45921764.0
4599 225.12729 615992.0
4600 244.13345 5845476.0
4601 253.12317 483222.0
4602 270.14972 5260680.0
4603 302.17508 467268.0
4604
4605 FORMULA: C42H69NO10
4606 INCHIKEY: GOENIMGKWNZVDA-RWGFPKGXSA-N
4607 SMILES: CCOC1C(OC)C(OC2CC3C(C2)C2C=C4C(C2CC3)CC(=O)OC(CC)CCCC(C(C4=O)C)OC2CCC(C(O2)C)N(C)C)OC(C1OC)C
4608 NAME: Spinetoram J
4609 RETENTIONTIME: 6.875065
4610 PRECURSORMZ: 748.4996
4611 PRECURSORTYPE: [M+H]+
4612 INSTRUMENTTYPE: LC-ESI-Orbitrap
4613 NUM PEAKS: 19
4614 87.04429 367892.0
4615 95.04928 288081.0
4616 97.06488 2777411.0
4617 98.09655 8992013.0
4618 99.04415 801171.0
4619 99.08067 1598443.0
4620 111.04435 203657.0
4621 115.0755 975367.0
4622 124.11241 446241.0
4623 125.05997 894301.0
4624 127.07556 507677.0
4625 142.12299 18851726.0
4626 157.08623 430463.0
4627 157.10155 1058798.0
4628 160.13321 524113.0
4629 171.11707 230127.0
4630 199.11194 246050.0
4631 203.10715 581698.0
4632 217.12222 236328.0
4633
4634 FORMULA: C25H24N4F6
4635 INCHIKEY: IQVNEKKDSLOHHK-UHFFFAOYSA-N
4636 SMILES: CC1(C)CNC(=NC1)NN=C(C=Cc1ccc(cc1)C(F)(F)F)C=Cc1ccc(cc1)C(F)(F)F
4637 NAME: Hydramethylnon
4638 RETENTIONTIME: 6.67979
4639 PRECURSORMZ: 495.1986
4640 PRECURSORTYPE: [M+H]+
4641 INSTRUMENTTYPE: LC-ESI-Orbitrap
4642 NUM PEAKS: 48
4643 86.09703 592073.0
4644 97.07668 1102254.0
4645 102.04713 162761.0
4646 109.07671 152336.0
4647 111.09241 210434.0
4648 112.08799 1438576.0
4649 112.1001 1334338.0
4650 113.10799 1043525.0
4651 126.10352 2018271.0
4652 127.11132 687935.0
4653 128.1188 2868988.0
4654 151.03604 3123530.0
4655 153.11414 318101.0
4656 159.04243 1900688.0
4657 163.12367 266550.0
4658 169.04726 264978.0
4659 171.04259 9972201.0
4660 178.04718 949330.0
4661 183.04219 978938.0
4662 196.0376 218268.0
4663 198.05374 693364.0
4664 209.05803 231723.0
4665 213.06461 1076938.0
4666 214.04874 274804.0
4667 218.05339 138241.0
4668 223.04858 173264.0
4669 225.06474 1428863.0
4670 238.05968 4320120.0
4671 239.08025 155000.0
4672 247.08057 319312.0
4673 253.14586 318558.0
4674 255.08643 272181.0
4675 267.08603 1563035.0
4676 270.13541 250539.0
4677 281.12677 392614.0
4678 295.14307 440522.0
4679 298.08517 500719.0
4680 298.15424 170519.0
4681 299.09323 317366.0
4682 307.14276 192450.0
4683 323.14941 13337730.0
4684 328.07541 186287.0
4685 334.15344 701456.0
4686 348.08228 404641.0
4687 353.0658 262110.0
4688 366.07346 193709.0
4689 368.08932 5815862.0
4690 495.20059 2433116.0
4691
4692 FORMULA: C11H16N2O2
4693 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
4694 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
4695 NAME: Aminocarb_1
4696 RETENTIONTIME: 0.8035756
4697 PRECURSORMZ: 209.129
4698 PRECURSORTYPE: [M+H]+
4699 INSTRUMENTTYPE: LC-ESI-Orbitrap
4700 NUM PEAKS: 5
4701 120.05733 176701.0
4702 122.06016 1917070.0
4703 136.07611 928093.0
4704 137.08363 8823033.0
4705 152.10725 186336.0
4706
4707 FORMULA: C11H16N2O2
4708 INCHIKEY: IMIDOCRTMDIQIJ-UHFFFAOYSA-N
4709 SMILES: CN=C(Oc1ccc(c(c1)C)N(C)C)O
4710 NAME: Aminocarb_2
4711 RETENTIONTIME: 1.13997
4712 PRECURSORMZ: 209.129
4713 PRECURSORTYPE: [M+H]+
4714 INSTRUMENTTYPE: LC-ESI-Orbitrap
4715 NUM PEAKS: 5
4716 120.05733 247123.0
4717 122.06016 2666029.0
4718 136.07611 1253139.0
4719 137.08363 12201258.0
4720 152.10725 242082.0
4721
4722 FORMULA: C9H20N2O2
4723 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
4724 SMILES: CCCOC(=NCCCN(C)C)O
4725 NAME: Propamocarb_1
4726 RETENTIONTIME: 0.7535679
4727 PRECURSORMZ: 189.1603
4728 PRECURSORTYPE: [M+H]+
4729 INSTRUMENTTYPE: LC-ESI-Orbitrap
4730 NUM PEAKS: 2
4731 86.0966 201548.0
4732 102.05516 5038638.0
4733
4734 FORMULA: C9H20N2O2
4735 INCHIKEY: WZZLDXDUQPOXNW-UHFFFAOYSA-N
4736 SMILES: CCCOC(=NCCCN(C)C)O
4737 NAME: Propamocarb_2
4738 RETENTIONTIME: 1.081971
4739 PRECURSORMZ: 189.1603
4740 PRECURSORTYPE: [M+H]+
4741 INSTRUMENTTYPE: LC-ESI-Orbitrap
4742 NUM PEAKS: 2
4743 86.0966 107829.0
4744 102.05516 2507023.0
4745
4746 FORMULA: C11H15N3O2
4747 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
4748 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
4749 NAME: Formetanate_1
4750 RETENTIONTIME: 0.7730471
4751 PRECURSORMZ: 222.1239
4752 PRECURSORTYPE: [M+H]+
4753 INSTRUMENTTYPE: LC-ESI-Orbitrap
4754 NUM PEAKS: 13
4755 93.03365 1796.0
4756 107.04935 1981.0
4757 111.04435 82262.0
4758 118.04142 1927.0
4759 120.04462 150907.0
4760 121.03984 67610.0
4761 122.06016 5909.0
4762 122.75254 1678.0
4763 150.98424 1930.0
4764 165.1024 143887.0
4765 173.50876 2616.0
4766 200.05632 2056.0
4767 208.52768 2170.0
4768
4769 FORMULA: C11H15N3O2
4770 INCHIKEY: MYPKGPZHHQEODQ-UHFFFAOYSA-N
4771 SMILES: CN=C(Oc1cccc(c1)N=CN(C)C)O
4772 NAME: Formetanate_2
4773 RETENTIONTIME: 1.13043
4774 PRECURSORMZ: 222.1239
4775 PRECURSORTYPE: [M+H]+
4776 INSTRUMENTTYPE: LC-ESI-Orbitrap
4777 NUM PEAKS: 15
4778 91.05441 6330.0
4779 93.03365 27201.0
4780 107.04935 4024.0
4781 111.04435 131558.0
4782 115.05429 3711.0
4783 117.06996 5571.0
4784 118.04177 4476.0
4785 120.04462 274740.0
4786 121.03984 113412.0
4787 122.06016 7843.0
4788 124.07605 4049.0
4789 135.04427 4178.0
4790 145.06488 3067.0
4791 164.95049 3848.0
4792 165.1024 263802.0
4793
4794 FORMULA: C12H18N2O2
4795 INCHIKEY: YNEVBPNZHBAYOA-UHFFFAOYSA-N
4796 SMILES: CN=C(Oc1cc(C)c(c(c1)C)N(C)C)O
4797 NAME: Mexacarbate
4798 RETENTIONTIME: 1.682191
4799 PRECURSORMZ: 223.1443
4800 PRECURSORTYPE: [M+H]+
4801 INSTRUMENTTYPE: LC-ESI-Orbitrap
4802 NUM PEAKS: 5
4803 134.07283 2632951.0
4804 136.07611 26036728.0
4805 150.092 1572118.0
4806 151.09932 54847764.0
4807 166.12282 1541928.0
4808
4809 FORMULA: C19H21N2OCl
4810 INCHIKEY: OGYFATSSENRIKG-UHFFFAOYSA-N
4811 SMILES: Clc1ccc(cc1)CN(C(=Nc1ccccc1)O)C1CCCC1
4812 NAME: Monceren
4813 RETENTIONTIME: 7.14553
4814 PRECURSORMZ: 329.1426
4815 PRECURSORTYPE: [M+H]+
4816 INSTRUMENTTYPE: LC-ESI-Orbitrap
4817 NUM PEAKS: 5
4818 89.03881 550831.0
4819 94.06543 635265.0
4820 106.06545 446416.0
4821 125.01307 512150.0
4822 125.01532 37442116.0
4823
4824 FORMULA: C16H16N2O4
4825 INCHIKEY: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
4826 SMILES: CCOC(=Nc1cccc(c1)OC(=Nc1ccccc1)O)O
4827 NAME: Desmedipham
4828 RETENTIONTIME: 6.430396
4829 PRECURSORMZ: 301.1192
4830 PRECURSORTYPE: [M+H]+
4831 INSTRUMENTTYPE: LC-ESI-Orbitrap
4832 NUM PEAKS: 3
4833 136.03947 1773399.0
4834 154.04993 1002798.0
4835 182.08162 6480130.0
4836
4837 FORMULA: C16H16N2O4
4838 INCHIKEY: IDOWTHOLJBTAFI-UHFFFAOYSA-N
4839 SMILES: COC(=Nc1cccc(c1)OC(=Nc1cccc(c1)C)O)O
4840 NAME: Phenmedipham
4841 RETENTIONTIME: 6.570995
4842 PRECURSORMZ: 301.1185
4843 PRECURSORTYPE: [M+H]+
4844 INSTRUMENTTYPE: LC-ESI-Orbitrap
4845 NUM PEAKS: 2
4846 136.03947 2596929.0
4847 168.06587 7038054.0
4848