MassBank Record: KO000219



 N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000219
RECORD_TITLE: N-Acetyl-beta-alanine; 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 A138

CH$NAME: N-Acetyl-b-alanine CH$NAME: N-Acetyl-beta-alanine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H9NO3 CH$EXACT_MASS: 131.05824 CH$SMILES: CC(=O)NCCC(O)=O CH$IUPAC: InChI=1S/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9) CH$LINK: CAS 3025-95-4 CH$LINK: CHEBI 16682 CH$LINK: KEGG C01073 CH$LINK: NIKKAJI J135.888J CH$LINK: PUBCHEM SID:4311
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 130 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4r-9000000000-234c321fbf9c1a89282c PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 41.800 188119.0 14 58.000 13712885.0 999 59.000 108911.0 8 84.200 9901.0 1 85.900 39604.0 3 88.200 9084167.5 662 130.000 2277230.0 166 //