MassBank Record: KO002156



 5-Aminolevulinic acid; 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: KO002156
RECORD_TITLE: 5-Aminolevulinic acid; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-aa34f5a936aed90b0dcf PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 38.900 44554.5 17 41.200 341584.5 133 43.200 133663.5 52 44.400 89109.0 35 44.800 173267.5 67 53.200 564357.0 219 55.200 2574260.0 999 56.000 103960.5 40 56.500 24752.5 10 58.400 39604.0 15 59.100 138614.0 54 59.800 133663.5 52 68.100 787129.5 305 69.000 267327.0 104 72.000 168317.0 65 73.000 232673.5 90 73.200 103960.5 40 78.000 103960.5 40 79.400 9901.0 4 85.800 163366.5 63 //