MassBank Record: KO002323



 N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002323
RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-040r-4900000000-c29d964b16a967ac4f7f PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 35.800 113861.5 8 38.700 24752.5 2 50.100 4351489.5 319 54.400 14851.5 1 55.000 14851.5 1 58.400 24752.5 2 64.100 193069.5 14 67.900 84158.5 6 69.200 84158.5 6 71.100 54455.5 4 71.800 554456.0 41 72.800 29703.0 2 73.300 34653.5 3 75.700 44554.5 3 76.900 49505.0 4 78.000 7371294.5 541 79.500 19802.0 1 82.200 410891.5 30 83.200 178218.0 13 90.200 1079209.0 79 97.000 559406.5 41 99.100 19802.0 1 99.900 1569308.5 115 114.000 13618825.5 999 115.300 10554466.0 774 132.100 7212878.5 529 133.000 44554.5 3 //