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Name
Formula / Structure
ExactMass
ID
(-)-Epinephrine
5 spectra
C9H13NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.08954
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001201
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001200
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001199
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001198
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001197
(-)-Nicotine
6 spectra
C10H14N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.11571
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001100
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001099
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001098
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001097
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA001096
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA001095
(R)-(-)-Phenylephrine
5 spectra
C9H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
167.09464
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002366
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002365
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002364
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002363
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002362
1-Naphthaleneacetic acid
4 spectra
C12H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.06808
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Waters-WA000168
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Waters-WA000169
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Waters-WA000170
LC-ESI-QQ; MS2; CE:5 V; [M-H]-
MSBNK-Waters-WA000167
10,11-Dihydro-10-Hydroxycarbazepine
5 spectra
C15H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.10553
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000957
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000956
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000955
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000954
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA000953
10-Methoxycarbamazepine
5 spectra
C16H14N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.10553
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA001743
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA001742
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA001741
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA001740
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA001739
11-Hydroxy-Delta9-THC
6 spectra
C21H30O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
330.21948
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA000878
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000877
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000876
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000875
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000874
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA000873
11-Nor-9-carboxy-Delta9-THC
6 spectra
C21H28O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.19876
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA000872
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA000871
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA000870
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA000869
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA000868
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA000867
2,5-Dimethoxy amphetamine
5 spectra
C11H17NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
195.12593
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002880
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002876
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002877
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002878
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002879
2,5-Dimethoxy-4-bromoamphetamine
5 spectra
C11H16BrNO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
273.03644
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002870
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002869
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002868
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002867
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002866
2-Mercaptopurine
5 spectra
C5H4N4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.01567
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA002771
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002770
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002769
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002768
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002767
3,4,5-Trimethoxyamphetamine
5 spectra
C12H19NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
225.13649
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002875
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002874
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002873
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002872
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002871
3-Hydroxybromazepam
5 spectra
C14H10BrN3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
330.99564
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002897
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002898
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002899
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002896
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002900
3-Hydroxystanozolol
3 spectra
C21H32N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
344.24637
LC-ESI-Q; MS; POS; 15 V, 60 V
MSBNK-Waters-WA002920
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002919
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002918
4-CPA
4 spectra
C8H7ClO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.00838
LC-ESI-QQ; MS2; CE:10 V; [M-H]-
MSBNK-Waters-WA000172
LC-ESI-QQ; MS2; CE:20 V; [M-H]-
MSBNK-Waters-WA000173
LC-ESI-QQ; MS2; CE:30 V; [M-H]-
MSBNK-Waters-WA000174
LC-ESI-QQ; MS2; CE:5 V; [M-H]-
MSBNK-Waters-WA000171
4-Hydroxydebrisoquin
6 spectra
C10H13N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
191.10587
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002895
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002894
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002893
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002892
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002891
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002890
4-Hydroxypropranolol
6 spectra
C16H21NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
275.15213
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002921
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002926
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002925
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002924
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002923
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002922
4-Methoxyamphetamine
5 spectra
C10H15NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
165.11536
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002865
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002864
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002863
LC-ESI-Q; MS; POS; 60 V, 75 V
MSBNK-Waters-WA002862
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002861
4-Methylthioamphetamine
5 spectra
C10H15NS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
181.09251
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002860
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002859
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002858
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002857
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002856
5-Hydroxypropafenone
3 spectra
C21H27NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
357.19400
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002855
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002854
LC-ESI-Q; MS; POS; 45 V, 75 V
MSBNK-Waters-WA002853
6-Acetylmorphine
5 spectra
C19H21NO4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.14706
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002835
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002834
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002833
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002832
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002831
6-Mercaptopurine
5 spectra
C5H4N4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
152.01567
LC-ESI-Q; MS; NEG; 30 V
MSBNK-Waters-WA002766
LC-ESI-Q; MS; POS; 15 V, 30 V
MSBNK-Waters-WA002765
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002764
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002763
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002762
7-Aminoclonazepam
6 spectra
C15H12ClN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
285.06689
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002852
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002851
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002850
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002849
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002848
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002847
7-Aminoflunitrazepam
6 spectra
C16H14FN3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
283.11209
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002846
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002845
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002844
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002843
LC-ESI-Q; MS; POS; 75 V
MSBNK-Waters-WA002842
LC-ESI-Q; MS; POS; 90 V
MSBNK-Waters-WA002841
7-Aminonitrazepam
5 spectra
C15H13N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
251.10587
LC-ESI-Q; MS; POS; 15 V
MSBNK-Waters-WA002840
LC-ESI-Q; MS; POS; 30 V
MSBNK-Waters-WA002839
LC-ESI-Q; MS; POS; 45 V
MSBNK-Waters-WA002838
LC-ESI-Q; MS; POS; 60 V
MSBNK-Waters-WA002837
LC-ESI-Q; MS; POS; 75 V, 90 V
MSBNK-Waters-WA002836
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