MassBank Record: KO002309



 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002309
RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:20 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 A135

CH$NAME: 5-Aminopentanoate CH$NAME: 5-Aminovaleric acid CH$NAME: 5-Aminopentanoic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H11NO2 CH$EXACT_MASS: 117.07898 CH$SMILES: NCCCCC(O)=O CH$IUPAC: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8) CH$LINK: CAS 660-88-8 CH$LINK: CHEBI 15887 CH$LINK: KEGG C00431 CH$LINK: NIKKAJI J38.132B CH$LINK: PUBCHEM SID:3720
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 118 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0zfr-9700000000-fe04f26630dfb11c0ca0 PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 40.900 14851.5 1 43.000 301980.5 9 44.000 178218.0 5 55.200 14183182.5 402 56.300 11212882.5 318 57.100 400990.5 11 59.200 4782183.0 135 61.900 34653.5 1 70.100 29703.0 1 72.100 1811883.0 51 73.100 232673.5 7 75.000 14851.5 1 76.000 14851.5 1 82.200 2069309.0 59 83.100 21321803.5 604 86.000 158416.0 4 88.100 59406.0 2 88.900 59406.0 2 89.700 39604.0 1 100.100 9366346.0 265 101.000 35267362.0 999 118.100 2202972.5 62 //