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Name
Formula / Structure
ExactMass
ID
4-Dimethylaminopyridine
1 spectrum
C7H10N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
122.08440
LC-ESI-QFT; MS2; CE: 61.67%; R=35000; [M+H]+
MSBNK-UFZ-UA006701
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-Hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpi...
9 spectra
C11H23NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
201.17288
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA405501AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA405503B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA405505070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA405511C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA405513D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA4055155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA4055213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA4055237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA405525AF82PH
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-Hydroxycoumarin
9 spectra
C9H6O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
162.03169
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA411401AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA411403B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA411405070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA411411C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA411413D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA4114155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA4114213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA4114237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA411425AF82PH
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-Hydroxytamoxifen
3 spectra
C26H29NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
387.21982
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA221111C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA221113D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2211155BE0PH
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-Methylbenzylidene camphor
9 spectra
C18H22O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.16707
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA029001AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA029003B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA029005070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA029011C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA029013D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0290155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0290213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0290237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA029025AF82PH
4-Methylmorpholine-N-oxide
6 spectra
C5H11NO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
117.07898
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA278511C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA278513D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2785155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA2785213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA2785237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA278525AF82PH
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-Nitroquinoline-1-oxide
6 spectra
C9H6N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
190.03784
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA248201AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA248203B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA248205070APH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA2482213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA2482237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA248225AF82PH
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-tert-Butylbenzenesulfonamide
6 spectra
C10H15NO2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
213.08235
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA411211C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA411213D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA4112155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA4112213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA4112237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA411225AF82PH
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-Chlorobenzotriazole
9 spectra
C6H4ClN3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
153.00937
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA232701AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA232703B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA232705070APH
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA232711C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA232713D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA2327155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA2327213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA2327237762PH
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA232725AF82PH
5-Methyl-1H-benzotriazole
11 spectra
C7H7N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
133.06400
LC-ESI-ITFT; MS2; CE: 10%; R=15000; [M+H]+
MSBNK-UFZ-WANA029101AD6CPH
LC-ESI-ITFT; MS2; CE: 20%; R=15000; [M+H]+
MSBNK-UFZ-WANA029103B085PH
LC-ESI-ITFT; MS2; CE: 30%; R=15000; [M+H]+
MSBNK-UFZ-WANA029105070APH
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
MSBNK-UFZ-UA008501
LC-ESI-ITFT; MS2; CE: 40%; R=15000; [M+H]+
MSBNK-UFZ-WANA029111C9CFPH
LC-ESI-ITFT; MS2; CE: 50%; R=15000; [M+H]+
MSBNK-UFZ-WANA029113D9F1PH
LC-ESI-ITFT; MS2; CE: 60%; R=15000; [M+H]+
MSBNK-UFZ-WANA0291155BE0PH
LC-ESI-ITFT; MS2; CE: 70%; R=15000; [M+H]+
MSBNK-UFZ-WANA0291213166PH
LC-ESI-ITFT; MS2; CE: 80%; R=15000; [M+H]+
MSBNK-UFZ-WANA0291237762PH
LC-ESI-ITFT; MS2; CE: 80%; R=30000; [M+H]+
MSBNK-UFZ-UA008502
LC-ESI-ITFT; MS2; CE: 90%; R=15000; [M+H]+
MSBNK-UFZ-WANA029125AF82PH
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
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