MassBank Record: KO002157



 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002157
RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:50 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 A052

CH$NAME: 5-Aminolevulinate CH$NAME: 5-Amino-4-oxovaleric acid CH$NAME: 5-Amino-4-oxopentanoate CH$NAME: 5-Aminolevulinic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H9NO3 CH$EXACT_MASS: 131.05824 CH$SMILES: NCC(=O)CCC(O)=O CH$IUPAC: InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) CH$LINK: CAS 106-60-5 CH$LINK: CHEBI 17549 CH$LINK: KEGG C00430 CH$LINK: NIKKAJI J38.537I CH$LINK: PUBCHEM SID:3719
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-7b8165e702ac7e6d5f34 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 38.800 34653.5 52 41.000 103960.5 155 43.000 39604.0 59 45.000 49505.0 74 53.100 99010.0 148 54.300 44554.5 67 55.000 668317.5 999 68.300 64356.5 96 //