MassBank Record: KO002324



 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: KO002324
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00xr-9300000000-cd55aad96aa3b4f2ec02 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 38.500 19802.0 4 42.900 113861.5 24 50.000 54455.5 11 55.200 584159.0 122 56.000 19802.0 4 56.900 19802.0 4 59.100 391089.5 82 60.000 123762.5 26 69.000 1227724.0 256 70.900 108911.0 23 72.100 4792084.0 999 73.200 400990.5 84 78.700 39604.0 8 83.200 287129.0 60 85.900 108911.0 23 90.200 2024754.5 422 96.900 1133664.5 236 100.000 346535.0 72 114.200 2133665.5 445 115.300 1396041.0 291 132.000 74257.5 15 //