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CASMI_2016
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622 Hit.
( 64 - 94 Displayed )
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Name
Formula / Structure
ExactMass
ID
2-Methoxy-1-naphthaldehyde
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-SM814501
2-Methyl-6-phenyl-4H-pyran-4-one
2 spectra
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-SM834801
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM834853
2-Methylbenzothiazole
1 spectrum
C8H7NS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.02992
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM878603
2-Methylimidazole
1 spectrum
C4H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
82.05310
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM801701
2-Methylindole
1 spectrum
C9H9N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
131.07350
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM801802
2-Methylnaphtho(1,2-d)thiazole
1 spectrum
C12H9NS
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
199.04556
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM814802
2-Morpholinothiobenzothiazole
1 spectrum
C11H12N2OS2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
252.03911
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM884202
2-Naphthalene sulfonic acid
1 spectrum
C10H8O3S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
208.01942
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM881155
2-Nitrobenzamide
1 spectrum
C7H6N2O3
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
166.03784
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM809901
2`-Methylacetanilide
1 spectrum
C9H11NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
149.08406
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM801601
3,3`-Biphenol
2 spectra
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-SM835001
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM835053
3,4,5-Trichlorphenol
2 spectra
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-SM810352
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM864752
3,4-Dichloroaniline
1 spectrum
C6H5Cl2N
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
160.97990
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM810401
3,4-Dichlorophenylurea
2 spectra
C7H6Cl2N2O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
203.98572
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM843003
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM843053
3-Acetylphenanthrene
1 spectrum
C16H12O
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
220.08882
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM810601
3-Amino-1,2,4-triazole
1 spectrum
C2H4N4
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
84.04360
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM810703
3-Bromo-N,N-dimethylaniline
1 spectrum
C8H10BrN
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
198.99966
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM810801
3-Iodopropynyl butylcarbamate
2 spectra
C8H12INO2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
280.99127
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM821102
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM880402
3-Methylpyrazole
2 spectra
C4H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
82.05310
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM804001
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM804101
3-Methylpyridazine
1 spectrum
C5H6N2
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
94.05310
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM804205
3-Phenoxyphenol
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-SM814901
3-Pyridinol
1 spectrum
C5H5NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
95.03711
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM804503
3`-Aminoacetophenone
1 spectrum
C8H9NO
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
135.06841
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM803501
4,4`-Thiodianiline
1 spectrum
C12H12N2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
216.07211
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
MSBNK-CASMI_2016-SM811101
4,4`-Thiodiphenol
1 spectrum
C12H10O2S
Generated by the Chemistry Development Kit (http://github.com/cdk)
\n
218.04015
LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-
MSBNK-CASMI_2016-SM804853
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