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CASMI_2016
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622 Hit.
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Name
Formula / Structure
ExactMass
ID
1,2,3-Triazole
1 spectrum
C2H3N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
69.03270
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM800003
1,3-Dihydroxyanthraquinone
1 spectrum
C14H8O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
240.04227
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM827751
1-(3-carboxypropyl)-3,7-dimethylxanthine
1 spectrum
C11H14N4O4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
266.10150
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM871101
1-Hydroxyanthraquinone
1 spectrum
C14H8O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.04733
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM828451
1-Naphthoic acid methyl ester
1 spectrum
C12H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.06808
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM803101
1-Naphthol-5-sulfonic acid
1 spectrum
C10H8O4S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
224.01433
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM833051
1-Naphthylamine
1 spectrum
C10H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
143.07350
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM800201
10,11-Dihydro-10,11-dihydroxycarbamazepine
1 spectrum
C15H14N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
270.10043
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM858102
10-Azabenzo[a]pyrene
1 spectrum
C19H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
253.08916
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM828302
1H-Benzotriazole
1 spectrum
C6H5N3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
119.04835
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM819701
2,2-Dipyridyl
1 spectrum
C10H8N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
156.06876
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM816201
2,2`,4,4`-Tetrahydroxybenzophenone
1 spectrum
C13H10O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
246.05283
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM833151
2,3,5-Trichlorphenol
1 spectrum
C6H3Cl3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
195.92496
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM806451
2,3-Dihydroxybiphenyl
1 spectrum
C12H10O2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
186.06808
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM800553
2,3-Dinitrophenol
1 spectrum
C6H4N2O5
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
184.01202
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM816551
2,4,5-Trichlorphenol
1 spectrum
C6H3Cl3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
195.92496
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM816651
2,4,6-Tribromphenol
1 spectrum
C6H3Br3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
327.77341
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM816753
2,4,6-Trichlorphenol
1 spectrum
C6H3Cl3O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
195.92496
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM813751
2,4,6-Trimethylpyridine
1 spectrum
C8H11N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
121.08915
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM806602
2,4-diaminobenzenesulfonic acid
1 spectrum
C6H8N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.02560
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM809756
2,4-Diaminobenzenesulfonic acid
1 spectrum
C6H8N2O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
188.02556
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM865753
2,4-Dibromphenol
1 spectrum
C6H4Br2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
249.86288
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM800653
2,4-Dichloro-6-Methylphenol
1 spectrum
C7H6Cl2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
175.97957
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM806853
2,4-Dichlorophenol
1 spectrum
C6H4Cl2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
161.96391
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM864251
2,4-Dichlorophenoxyacetic acid
1 spectrum
C8H6Cl2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
219.96941
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM837851
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