MassBank Record: KO002155



 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002155
RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0avr-9000000000-1815084304ee39158706 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 40.800 193069.5 45 41.700 14851.5 3 43.100 108911.0 25 44.200 123762.5 29 45.200 207921.0 49 53.200 801981.0 187 54.200 118812.0 28 55.100 4282182.5 999 56.200 94059.5 22 57.100 79208.0 18 58.100 59406.0 14 59.200 217822.0 51 60.000 193069.5 45 68.100 2797032.5 653 69.200 1277229.0 298 69.800 54455.5 13 71.200 44554.5 10 71.800 787129.5 184 73.000 1415843.0 330 78.000 212871.5 50 78.300 54455.5 13 80.200 34653.5 8 83.300 64356.5 15 84.100 94059.5 22 84.700 59406.0 14 86.000 3306934.0 771 96.200 227723.0 53 97.300 178218.0 42 100.000 54455.5 13 114.100 227723.0 53 115.100 158416.0 37 //