MassBank Record: KO002079



 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: KO002079
RECORD_TITLE: 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 A021

CH$NAME: b-Ala CH$NAME: 3-Aminopropanoate CH$NAME: 3-Aminopropionic acid CH$NAME: beta-Alanine CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H7NO2 CH$EXACT_MASS: 89.04768 CH$SMILES: NCCC(O)=O CH$IUPAC: InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) CH$LINK: CAS 107-95-9 CH$LINK: CHEBI 16958 CH$LINK: CHEMPDB BAL CH$LINK: KEGG C00099 CH$LINK: NIKKAJI J4.070C CH$LINK: PUBCHEM SID:3399
AC$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$FOCUSED_ION: PRECURSOR_M/Z 90 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-d5f47100c42e7777802e PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 25.300 34653.5 24 30.300 193069.5 132 43.100 44554.5 30 47.900 24752.5 17 56.700 24752.5 17 61.100 133663.5 91 72.100 1465348.0 999 72.600 153465.5 105 90.100 732674.0 500 //