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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)

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
CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0020070

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
//

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