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
//