MassBank Record: KO002326



 N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002326
RECORD_TITLE: N-Acetyl-beta-alanine; 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 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4l-9000000000-69366247403d4ef3e875 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 41.200 94059.5 140 43.200 326733.0 485 45.200 39604.0 59 55.000 673268.0 999 59.100 103960.5 154 60.100 64356.5 95 68.900 113861.5 169 70.100 19802.0 29 72.000 237624.0 353 76.700 39604.0 59 83.000 14851.5 22 //