MassBank Record: KO002051



 D-Ala; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002051
RECORD_TITLE: D-Ala; LC-ESI-QQ; MS2; CE:40 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 A011

CH$NAME: D-Ala CH$NAME: D-Alanine CH$NAME: D-2-Aminopropionic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H7NO2 CH$EXACT_MASS: 89.04768 CH$SMILES: C[C@@H](N)C(O)=O CH$IUPAC: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1 CH$LINK: CAS 338-69-2 CH$LINK: CHEBI 15570 CH$LINK: CHEMPDB DAL CH$LINK: KEGG C00133 CH$LINK: NIKKAJI J9.190A CH$LINK: PUBCHEM SID:3433
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 90 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9000000000-4832fe79b009c4a4841e PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 44.000 599010.5 999 //