MassBank Record: MSBNK-Keio_Univ-KO003531

Muscimol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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ACCESSION: MSBNK-Keio_Univ-KO003531
RECORD_TITLE: Muscimol; LC-ESI-QQ; MS2; CE:50 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

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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

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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 50 V

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

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PK$SPLASH: splash10-014r-9000000000-f4eda66dfcf7c0a3918c
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  39.300 148515.0 681
  66.800 217822.0 999
  68.100 49505.0 227
//