MassBank Record: KO000105



 6-Aminohexanoic 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: KO000105
RECORD_TITLE: 6-Aminohexanoic 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 A053

CH$NAME: 6-Aminohexanoate CH$NAME: 6-Aminocaproic acid CH$NAME: Epsilcapramine CH$NAME: 6-Aminohexanoic 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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 130 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9100000000-fe8764f31273202c4192 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 42.200 242574.5 155 58.000 1559407.5 999 59.100 29703.0 19 80.100 39604.0 25 82.300 59406.0 38 87.900 148515.0 95 128.100 173267.5 111 129.900 232673.5 149 //