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Name
Formula / Structure
ExactMass
ID
2-Hydroxyanthraquinone
3 spectra
C14H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.04730
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002403
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002401
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA002402
2-Hydroxycarbamazepine
8 spectra
C15H12N2O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.08990
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF411103
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF411153
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF411101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF411104
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF411151
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF411154
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF411102
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
UF411152
2-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]+
UA005201
2-Isopropylthioxanthon
4 spectra
C16H14OS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
254.07651
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF418103
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF418101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF418104
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF418102
2-Naphthalenamine, N-phenyl-
2 spectra
C16H13N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.10480
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002803
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA002801
2-naphthoic acid
4 spectra
C11H8O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
172.05240
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA004803
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA004804
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA004801
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA004802
2-nitro-9-fluorenone
3 spectra
C13H7NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
225.04260
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001703
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
UA001705
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001701
2-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]+
UA007801
3,3`-dichlorobenzidine
2 spectra
C12H10Cl2N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.02209
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA004903
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA004901
3,4-Dichlorophenylurea
8 spectra
C7H6Cl2N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.98570
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF405203
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M-H]-
UF405253
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF405201
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF405204
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF405251
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M-H]-
UF405254
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF405202
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M-H]-
UF405252
3-Formylindole
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]+
UA005101
3-hydroxybenzo(a)pyrene
4 spectra
C20H12O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
268.08881
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA004503
APCI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA004504
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA004501
ESI-ITFT; MS2; CE: 35%; R=30000; [M-H]-
UA004502
3-Iodopropynyl butylcarbamate
4 spectra
C8H12INO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.99130
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF418403
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF418401
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF418404
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF418402
3-nitrobenzanthrone
3 spectra
C17H9NO3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
275.05820
APCI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001603
APCI-ITFT; MS2; CE: 35%; R=30000; [M]-
UA001605
ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA001601
4,4`-Methylen-bis(2-methyl aniline)
4 spectra
C15H18N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
226.14700
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF414203
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414201
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414204
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF414202
4,4`-Thiodianiline
4 spectra
C12H12N2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.07210
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF414303
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414301
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414304
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF414302
4-Acetamidoantipyrin
4 spectra
C13H15N3O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
245.11639
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF408203
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF408201
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF408204
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF408202
4-Amino-N,N-dimethylbenzenesulfonamide
4 spectra
C8H12N2O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
200.06190
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF417003
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF417001
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF417004
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF417002
4-Aminoantipyrin
4 spectra
C11H13N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.10590
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF408303
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF408301
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF408304
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF408302
4-Aminoantipyrine
2 spectra
C11H13N3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.10590
LC-ESI-ITFT; MS2; CE: 35%; R=30000; [M+H]+
UA008001
LC-ESI-ITFT; MS2; CE: 80%; R=30000; [M+H]+
UA008002
4-Aminoazobenzene
4 spectra
C12H11N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
197.09531
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF414103
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414101
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF414104
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF414102
4-Aminobenzamide
4 spectra
C7H8N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
136.06371
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF413603
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF413601
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF413604
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF413602
4-Androstene-3,17-dione
4 spectra
C19H26O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
286.19330
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF416503
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF416501
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF416504
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF416502
4-Chloroaniline
4 spectra
C6H6ClN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
127.01890
LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
UF413803
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF413801
LC-ESI-ITFT; MS2; CE: 55; R=15000; [M+H]+
UF413804
LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
UF413802
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]+
UA006701
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