MassBank Record: KO002159



 6-Aminohexanoic 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: KO002159
RECORD_TITLE: 6-Aminohexanoic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-02ta-9400000000-f654b53d07a97f719e19 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 40.900 103960.5 3 43.000 59406.0 2 49.900 39604.0 1 55.300 440594.5 14 59.100 282178.5 9 59.800 24752.5 1 63.700 19802.0 1 67.000 524753.0 17 68.100 925743.5 30 69.100 28019830.0 909 69.900 173267.5 6 71.200 737624.5 24 72.100 564357.0 18 73.100 4920797.0 160 73.900 49505.0 2 77.000 138614.0 4 79.100 11920804.0 387 80.200 24752.5 1 81.000 49505.0 2 81.400 19802.0 1 83.100 69307.0 2 84.200 480198.5 16 84.900 272277.5 9 86.100 678218.5 22 87.200 1257427.0 41 87.700 39604.0 1 89.900 64356.5 2 96.100 9490108.5 308 97.100 10698030.5 347 100.200 158416.0 5 110.900 14851.5 1 112.800 29703.0 1 114.200 30797060.5 999 115.300 5138619.0 167 132.100 3618815.5 117 //