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MassBank Record: KO002831

N-Ethylmaleimide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002831
RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQ; MS2; CE:20 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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 126
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a7j-9400000000-53554a958dc4ae9f48a7
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  43.200 24752.5 114
  55.000 69307.0 318
  69.700 29703.0 136
  79.900 79208.0 363
  80.900 59406.0 272
  84.200 217822.0 999
  98.000 168317.0 772
  108.300 39604.0 182
  108.900 178218.0 817
  126.100 138614.0 636
//

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