MassBank Record: KO003527

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Muscimol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003527
RECORD_TITLE: Muscimol; 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 M115

CH$NAME: Muscimol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6N2O2
CH$EXACT_MASS: 114.0429299999999983583620632998645305633544921875
CH$SMILES: NCC(O1)=CC(=O)N1
CH$IUPAC: InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
CH$LINK: CAS 2763-96-4
CH$LINK: COMPTOX DTXSID5041069
CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N
CH$LINK: KEGG C08311
CH$LINK: NIKKAJI J7.909J
CH$LINK: PUBCHEM SID:10509

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$FOCUSED_ION: PRECURSOR_M/Z 115
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014i-3900000000-68483046cfeb7ca5d01b
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  49.900 272277.5 13
  51.000 163366.5 8
  55.000 24752.5 1
  68.600 24752.5 1
  72.700 29703.0 1
  73.500 24752.5 1
  78.600 24752.5 1
  82.900 811882.0 38
  97.000 64356.5 3
  97.900 7688126.5 357
  115.300 21490120.5 999
  132.700 44554.5 2
//