MassBank Record: KO002309

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5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002309
RECORD_TITLE: 5-Aminopentanoic 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 A135

CH$NAME: 5-Aminopentanoate
CH$NAME: 5-Aminovaleric acid
CH$NAME: 5-Aminopentanoic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H11NO2
CH$EXACT_MASS: 117.07898
CH$SMILES: NCCCCC(O)=O
CH$IUPAC: InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
CH$LINK: CAS 660-88-8
CH$LINK: CHEBI 15887
CH$LINK: COMPTOX DTXSID70216212
CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N
CH$LINK: KEGG C00431
CH$LINK: NIKKAJI J38.132B
CH$LINK: PUBCHEM SID:3720

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$FOCUSED_ION: PRECURSOR_M/Z 118
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0zfr-9700000000-fe04f26630dfb11c0ca0
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  40.9 14851.5 1.0
  43.0 301980.0 9.0
  44.0 178218.0 5.0
  55.2 1.41832E7 402.0
  56.3 1.12129E7 318.0
  57.1 400990.0 11.0
  59.2 4782180.0 135.0
  61.9 34653.5 1.0
  70.1 29703.0 1.0
  72.1 1811880.0 51.0
  73.1 232674.0 7.0
  75.0 14851.5 1.0
  76.0 14851.5 1.0
  82.2 2069310.0 59.0
  83.1 2.13218E7 604.0
  86.0 158416.0 4.0
  88.1 59406.0 2.0
  88.9 59406.0 2.0
  89.7 39604.0 1.0
  100.1 9366350.0 265.0
  101.0 3.52674E7 999.0
  118.1 2202970.0 62.0
//