MassBank Record: MSBNK-Keio_Univ-KO002830
ACCESSION: MSBNK-Keio_Univ-KO002830
RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID E008
CH$NAME: N-Ethylmaleimide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NO2
CH$EXACT_MASS: 125.04768
CH$SMILES: CCn(c(=O)1)c(=O)cc1
CH$IUPAC: InChI=1S/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
CH$LINK: CAS
128-53-0
CH$LINK: CHEBI
7269
CH$LINK: CHEMPDB NEQ
CH$LINK: KEGG
C02441
CH$LINK: NIKKAJI
J21.254G
CH$LINK: PUBCHEM
SID:5463
CH$LINK: INCHIKEY
HDFGOPSGAURCEO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1059573
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 126
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-056u-6900000000-94013ce2ca6bdcffb4df
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
35.800 69307.0 57
54.200 128713.0 105
58.300 14851.5 12
61.900 24752.5 20
70.600 14851.5 12
76.200 138614.0 113
84.300 193069.5 158
90.800 108911.0 89
91.100 306931.0 251
94.200 415842.0 340
97.700 54455.5 44
107.900 272277.5 222
109.200 435644.0 356
126.000 1222773.5 999
146.800 9901.0 8
//
system version 2.2.8-SNAPSHOT