MassBank Record: KO003528

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

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

ACCESSION: KO003528
RECORD_TITLE: Muscimol; 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 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 20 V

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

PK$SPLASH: splash10-0002-9000000000-6de63da45a13d454cce3
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  30.700 34653.5 3
  67.000 257426.0 20
  68.200 435644.0 34
  79.000 24752.5 2
  82.400 59406.0 5
  83.400 14851.5 1
  84.100 34653.5 3
  86.100 173267.5 14
  96.100 19802.0 2
  98.000 12688131.5 999
  115.100 608911.5 48
  169.600 14851.5 1
//