MassBank Record: KO002153



 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002153
RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01q9-1900000000-a5686c059e357bc14e96 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 36.200 59406.0 1 50.100 3089112.0 74 55.000 44554.5 1 59.200 69307.0 2 64.300 287129.0 7 68.900 123762.5 3 72.200 79208.0 2 72.800 89109.0 2 74.200 173267.5 4 77.800 2386141.0 57 81.800 272277.5 7 82.900 198020.0 5 86.100 4564361.0 110 95.900 118812.0 3 97.100 500000.5 12 98.100 9901.0 1 100.000 1034654.5 25 112.200 39604.0 1 114.000 31915873.5 769 115.100 9019811.0 217 132.000 41475289.0 999 //