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Name
Formula / Structure
ExactMass
ID
Dehydronifedipine
5 spectra
C17H16N2O6
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.10083
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002605
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002604
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002603
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002601
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002602
Delta9-THC
4 spectra
C21H30O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.22458
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA000879
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000880
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000881
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA000882
Demexiptiline
6 spectra
C18H18N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
278.14191
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002123
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002122
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002121
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002120
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002119
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002118
Desethylamiodarone
5 spectra
C23H25I2NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
616.99237
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002809
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002808
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002807
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002806
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002805
Desipramine
5 spectra
C18H22N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.17831
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA000583
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000582
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000581
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000580
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000579
Desmethylcitalopram
4 spectra
C19H19FN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
310.14813
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA000976
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000977
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000978
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA000979
Desmethylmaprotiline
6 spectra
C19H21N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.16739
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002080
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002079
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002078
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002077
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002076
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002075
Dexamethasone
5 spectra
C22H29FO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.19989
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000578
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000577
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000576
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000575
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000574
Dextromethorphan
5 spectra
C18H25NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
271.19360
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA001702
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001701
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001700
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001699
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001698
Dextromoramide
6 spectra
C25H32N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
392.24637
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001697
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001696
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001695
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001694
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001693
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001692
Diacetolol
5 spectra
C16H24N2O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
308.17361
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001691
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001690
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001689
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001688
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001687
Diacetylmorphine (Heroin)
4 spectra
C21H23NO5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
369.15762
LC-ESI-Q; MS; POS; 15 V, 45 V
MSBNK-Waters-WA001030
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001029
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001028
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001027
Diazepam
4 spectra
C16H13ClN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
284.07162
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA001003
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001002
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001001
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001000
Dichlorprop
4 spectra
C9H8Cl2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
233.98505
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Waters-WA000208
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Waters-WA000209
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Waters-WA000210
LC-ESI-QQ; MS2; CE:40 V; [M-H]-
MSBNK-Waters-WA000211
Diclofenac
6 spectra
C14H11Cl2NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.01669
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001682
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001681
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001680
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001679
LC-ESI-Q; MS; POS; 60 V, 75 V
MSBNK-Waters-WA001678
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001677
Diclosulam
4 spectra
C13H10Cl2FN5O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
404.98654
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000204
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000205
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000206
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000207
Didanosine
7 spectra
C10H12N4O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
236.09094
LC-ESI-Q; MS; NEG; 15 V
MSBNK-Waters-WA000423
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000422
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000421
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000420
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000419
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000418
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000417
Didesmethylcitalopram
4 spectra
C18H17FN2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
296.13248
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000896
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000895
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000894
LC-ESI-Q; MS; POS; 60 V, 75 V
MSBNK-Waters-WA000893
Diethylpropin
6 spectra
C13H19NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
205.14667
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001931
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001930
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001929
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001928
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001927
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001926
Difebarbamate
5 spectra
C28H42N4O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
578.29517
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000573
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000572
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000571
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000570
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA000569
Diflunisal
6 spectra
C13H8F2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
250.04414
LC-ESI-Q; MS; NEG; 15 V
MSBNK-Waters-WA001482
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001481
LC-ESI-Q; MS; NEG; 45 V
MSBNK-Waters-WA001480
LC-ESI-Q; MS; NEG; 60 V
MSBNK-Waters-WA001479
LC-ESI-Q; MS; NEG; 75 V
MSBNK-Waters-WA001478
LC-ESI-Q; MS; NEG; 90 V
MSBNK-Waters-WA001477
Digitoxigenine
5 spectra
C23H34O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
374.24570
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002515
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002514
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002513
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002512
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002511
Digitoxin
4 spectra
C41H64O13
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
764.43469
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000568
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000567
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000566
LC-ESI-Q; MS; POS; 60 V, 90 V
MSBNK-Waters-WA000565
Digoxigenin
6 spectra
C23H34O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
390.24063
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001676
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001675
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001674
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001673
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001672
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001671
Digoxin
4 spectra
C41H64O14
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
780.42963
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000564
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000563
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000562
LC-ESI-Q; MS; POS; 60 V, 90 V
MSBNK-Waters-WA000561
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