MassBank Record: KO000211



 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: KO000211
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 116 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-0900000000-f5c899766b4d912df5ce PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 57.200 39604.0 6 58.200 39604.0 6 68.100 188119.0 28 69.700 44554.5 7 71.000 14851.5 2 72.200 44554.5 7 86.800 34653.5 5 98.200 103960.5 16 99.100 24752.5 4 99.400 19802.0 3 116.200 6599016.5 999 //