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MassBank Record: KO003530

Muscimol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003530
RECORD_TITLE: Muscimol; LC-ESI-QQ; MS2; CE:40 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: 114.04293
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: KEGG C08311
CH$LINK: NIKKAJI J7.909J
CH$LINK: PUBCHEM SID:10509
CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5041069

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 40 V

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

PK$SPLASH: splash10-014i-9000000000-c2fbac7befc44bdfbe43
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  30.100 14851.5 28
  39.000 133663.5 250
  39.500 123762.5 231
  66.800 534654.0 999
  68.100 341584.5 638
  96.100 9901.0 19
  98.000 193069.5 361
//

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