MassBank Record: KO002310



 5-Aminopentanoic 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: KO002310
RECORD_TITLE: 5-Aminopentanoic 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 118 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9000000000-6e57feab4cd3399e2e84 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 29.400 19802.0 1 39.000 49505.0 3 41.200 217822.0 11 43.000 544555.0 28 44.200 386139.0 20 44.900 138614.0 7 53.000 173267.5 9 55.300 19668336.5 999 56.200 9376247.0 476 57.200 470297.5 24 58.300 44554.5 2 59.000 5589114.5 284 70.100 34653.5 2 72.000 1272278.5 65 72.800 74257.5 4 73.400 19802.0 1 79.900 9901.0 1 81.200 14851.5 1 82.000 247525.0 13 83.000 2108913.0 107 86.200 183168.5 9 100.200 212871.5 11 101.000 777228.5 39 118.300 24752.5 1 //