MassBank Record: KO002158



 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002158
RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:10 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 A053

CH$NAME: 6-Aminohexanoate CH$NAME: Epsilcapramine CH$NAME: 6-Aminohexanoic acid CH$NAME: 6-Aminocaproic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H13NO2 CH$EXACT_MASS: 131.09463 CH$SMILES: NCCCCCC(O)=O CH$IUPAC: InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9) CH$LINK: CAS 60-32-2 CH$LINK: CHEBI 32396 CH$LINK: KEGG C02378 CH$LINK: NIKKAJI J1.398F CH$LINK: PUBCHEM SID:5420
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-b263ad88d0bb4ca9e2a8 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 50.100 1955447.5 13 59.000 54455.5 1 64.300 158416.0 1 68.200 59406.0 1 69.100 905941.5 6 70.900 103960.5 1 72.000 69307.0 1 72.900 237624.0 2 74.200 103960.5 1 75.800 19802.0 1 78.100 430693.5 3 78.900 698020.5 5 81.700 59406.0 1 82.000 297030.0 2 84.200 59406.0 1 84.600 34653.5 1 86.200 49505.0 1 86.800 79208.0 1 89.900 44554.5 1 96.200 1772279.0 12 97.200 2876240.5 19 100.200 405941.0 3 114.200 40500040.5 273 115.300 17628730.5 119 132.100 148297178.0 999 133.300 29703.0 1 //