MassBank Record: KO002161



 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002161
RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-05ox-9000000000-f6e6dd1b173059338d41 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 39.000 123762.5 36 41.300 3405944.0 999 43.100 366337.0 107 44.000 297030.0 87 45.000 158416.0 46 53.000 99010.0 29 55.200 2925745.5 858 56.300 24752.5 7 65.300 39604.0 12 67.100 544555.0 160 68.000 297030.0 87 69.200 2009903.0 590 70.000 133663.5 39 71.800 44554.5 13 73.000 737624.5 216 76.900 1608912.5 472 79.000 1153466.5 338 80.200 89109.0 26 81.200 84158.5 25 85.100 59406.0 17 94.400 29703.0 9 95.100 94059.5 28 96.200 133663.5 39 97.400 54455.5 16 115.300 14851.5 4 //