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Name
Formula / Structure
ExactMass
ID
Protriptyline
5 spectra
C19H21N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
263.16739
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA000283
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000282
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000281
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000280
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000279
Pyrazolynate
4 spectra
C19H16Cl2N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
438.02078
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000115
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000116
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000117
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000118
Pyriftalid
2 spectra
C15H14N2O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
318.06744
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000119
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000120
Pyrimethamine
5 spectra
C12H13ClN4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
248.08287
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002453
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002452
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002451
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002450
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002449
Quinidine
5 spectra
C20H24N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
324.18378
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA000288
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000287
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000286
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000285
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000284
Quinupramine
5 spectra
C21H24N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
304.19394
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002035
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002034
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002033
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002032
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002031
Quizalofop-p-tefuryl
3 spectra
C22H21ClN2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
428.11389
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000041
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000042
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000043
Ramipril
6 spectra
C23H32N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.23111
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA001883
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001882
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001881
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001880
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001879
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001878
Ranitidine
6 spectra
C13H22N4O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
314.14127
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA002479
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002478
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002477
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002476
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002475
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002474
Reserpine
4 spectra
C33H40N2O9
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
608.27338
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002661
LC-ESI-Q; MS; POS; 30 V, 45 V
MSBNK-Waters-WA002660
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002659
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002658
Rifampin
7 spectra
C43H58N4O12
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
822.40509
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA002030
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002029
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002028
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002027
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002026
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002025
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002024
Risperidone
5 spectra
C23H27FN4O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
410.21179
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA000538
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000537
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000536
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000535
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000534
Ritonavir
6 spectra
C37H48N6O5S2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
720.31274
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001503
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001502
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001501
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001500
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001499
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001498
Roxithromycin
5 spectra
C41H76N2O15
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
836.52460
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA002473
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002472
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002471
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002470
LC-ESI-Q; MS; POS; 60 V, 90 V
MSBNK-Waters-WA002469
Salbutamol
5 spectra
C13H21NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
239.15215
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000685
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000684
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000683
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000682
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000681
Salicylic acid
4 spectra
C7H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
138.03169
LC-ESI-Q; MS; NEG; 15 V
MSBNK-Waters-WA000475
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA000474
LC-ESI-Q; MS; NEG; 45 V
MSBNK-Waters-WA000473
LC-ESI-Q; MS; NEG; 60 V, 75 V
MSBNK-Waters-WA000472
Salmeterol
6 spectra
C25H37NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
415.27225
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002484
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002483
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002485
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002482
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002481
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002480
Saquinavir
4 spectra
C38H50N6O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
670.38428
LC-ESI-Q; MS; POS; 15 V, 45 V
MSBNK-Waters-WA001497
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001496
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001495
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001494
Scopolamine
5 spectra
C17H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
303.14706
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002406
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002405
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002404
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002403
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002402
Sertraline
6 spectra
C17H17Cl2N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
305.07379
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000294
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000293
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000292
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000291
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000290
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000289
Sildenafil
5 spectra
C22H30N6O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
474.20493
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA002490
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002489
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002488
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002487
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002486
Simazine
5 spectra
C7H12ClN5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.07813
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002933
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002937
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002934
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002935
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002936
Simeconazole
4 spectra
C14H20FN3OSi
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
293.13596
LC-ESI-QQ; MS2; CE:10 V; [M+H]+
MSBNK-Waters-WA000073
LC-ESI-QQ; MS2; CE:20 V; [M+H]+
MSBNK-Waters-WA000074
LC-ESI-QQ; MS2; CE:30 V; [M+H]+
MSBNK-Waters-WA000075
LC-ESI-QQ; MS2; CE:40 V; [M+H]+
MSBNK-Waters-WA000076
Sotalol
6 spectra
C12H20N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
272.11945
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000654
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000653
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000652
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000651
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000650
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000649
Spironolactone
6 spectra
C24H32O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
416.20212
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000354
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000353
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000352
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000351
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA000350
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA000349
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