MassBank Record: MSBNK-Keio_Univ-KO002832
ACCESSION: MSBNK-Keio_Univ-KO002832
RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 126
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0059-9000000000-fa6c358f580cb0f757de
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
44.200 24752.5 294
69.900 24752.5 294
76.900 24752.5 294
79.200 24752.5 294
79.600 84158.5 999
80.900 24752.5 294
83.800 84158.5 999
93.800 9901.0 118
99.600 29703.0 353
//