MassBank Record: KO002325



 N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002325
RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-05fr-9000000000-22e31a2159eeb44599d5 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 30.000 29703.0 21 42.900 425743.0 300 44.800 74257.5 52 55.200 1039605.0 734 56.900 24752.5 17 59.100 198020.0 140 60.000 128713.0 91 67.500 24752.5 17 68.900 797030.5 562 70.000 49505.0 35 72.000 1415843.0 999 73.200 242574.5 171 76.900 19802.0 14 78.900 44554.5 31 83.100 103960.5 73 86.000 79208.0 56 90.200 168317.0 119 95.800 24752.5 17 97.000 128713.0 91 100.200 74257.5 52 115.300 138614.0 98 //