MassBank Record: KO002054



 L-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: KO002054
RECORD_TITLE: L-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 A015

CH$NAME: L-Ala CH$NAME: L-Alanine CH$NAME: L-2-Aminopropionic acid CH$NAME: L-alpha-Alanine CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H7NO2 CH$EXACT_MASS: 89.04768 CH$SMILES: CC(N)C(O)=O CH$IUPAC: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1 CH$LINK: CAS 56-41-7 CH$LINK: CHEBI 16977 CH$LINK: CHEMPDB ALA CH$LINK: KEGG C00041 CH$LINK: NIKKAJI J9.168E CH$LINK: PUBCHEM SID:3343
AC$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$SPLASH: splash10-0006-9000000000-ba42bcd60aa9182a780e PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 44.000 2148517.0 999 45.800 24752.5 12 54.800 14851.5 7 72.100 123762.5 58 72.800 64356.5 30 78.000 44554.5 21 87.500 19802.0 9 89.900 158416.0 74 //