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Name
Formula / Structure
ExactMass
ID
4-Formyl-antipyrine
4 spectra
C12H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.08990
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF410703
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF410701
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF410704
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF410702
4-Hydroxybenzotriazole
8 spectra
C6H5N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.04326
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF420103
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
MSBNK-UFZ-UF420153
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF420101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF420104
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF420151
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF420154
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF420102
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
MSBNK-UFZ-UF420152
4-Hydroxyquinoline
1 spectrum
C9H7NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.05280
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
MSBNK-UFZ-UA005301
4-Isopropylaniline
4 spectra
C9H13N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.10480
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF414503
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414504
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF414502
4-methyl-2-nitrophenol
1 spectrum
C7H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.04260
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA003605
4-methyl-7-aminocoumarin
2 spectra
C10H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.06332
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
MSBNK-UFZ-UA006601
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+Na]+
MSBNK-UFZ-UA006635
4-methyl-7-diethylaminocoumarin
3 spectra
C14H17NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
231.12593
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
MSBNK-UFZ-UA006401
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+Na]+
MSBNK-UFZ-UA006435
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M]+
MSBNK-UFZ-UA006422
4-methyl-7-ethylaminocoumarin
3 spectra
C12H13NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.09464
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
MSBNK-UFZ-UA006501
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+Na]+
MSBNK-UFZ-UA006535
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M]+
MSBNK-UFZ-UA006521
4-Nitroquinoline 1-oxide
3 spectra
C9H6N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.03780
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA003703
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
MSBNK-UFZ-UA003705
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA003701
4-Phenylpyridine
1 spectrum
C11H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
155.07350
LC-ESI-QFT; MS2; CE: 61.67%; R=35000; [M+H]+
MSBNK-UFZ-UA007701
4`-Aminoacetanilide
4 spectra
C8H10N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
150.07930
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF413503
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF413501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF413504
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF413502
4H-cyclopenta[def]phenanthrene-4-one
2 spectra
C15H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
204.05750
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA001403
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA001401
5,6-Chrysenequinone
2 spectra
C18H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
258.06812
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002203
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA002201
5-Carboline
1 spectrum
C11H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
168.06870
LC-ESI-QFT; MS2; CE: 61.67%; R=35000; [M+H]+
MSBNK-UFZ-UA007101
5-Methyl-1H-benzotriazole
2 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA008501
LC-ESI-ITFT; MS2; CE: 80%; R=30000; [M+H]+
MSBNK-UFZ-UA008502
6,7-Dimethoxy-2-(1-piperazinyl)-4-quinazolinamine
1 spectrum
C14H19N5O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
289.15390
LC-ESI-QFT; MS2; CE: 50%; R=35000; [M+H]+
MSBNK-UFZ-UA006201
6-Quinolinol
1 spectrum
C9H7NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
145.05280
LC-ESI-QFT; MS2; CE: 61.67%; R=35000; [M+H]+
MSBNK-UFZ-UA006901
7-Hydroxy-4-methylcoumarin
8 spectra
C10H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
176.04730
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF419303
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
MSBNK-UFZ-UF419353
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF419301
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF419304
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF419351
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF419354
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF419302
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
MSBNK-UFZ-UF419352
9,10-Phenanthrenedione
1 spectrum
C14H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.05240
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA001903
9-Fluorenone
2 spectra
C13H8O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
180.05750
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA001103
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA001101
A alpha C
3 spectra
C11H9N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
183.07961
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA000803
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
MSBNK-UFZ-UA000804
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA000801
Acetaminophen / paracetamol
4 spectra
C8H9NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.06329
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF409103
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF409101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF409104
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF409102
Acetyl-sulfamethoxazole
8 spectra
C12H13N3O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
295.06271
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF411703
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
MSBNK-UFZ-UF411753
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF411701
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF411704
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF411751
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
MSBNK-UFZ-UF411754
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF411702
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
MSBNK-UFZ-UF411752
Acridine
2 spectra
C13H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
179.07350
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA000303
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA000301
Amantadine
4 spectra
C10H17N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
151.13609
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
MSBNK-UFZ-UF414703
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414701
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
MSBNK-UFZ-UF414704
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
MSBNK-UFZ-UF414702
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