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MassBank Record: KO002309

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$LINK: KEGG C00431
CH$LINK: NIKKAJI J38.132B
CH$LINK: PUBCHEM SID:3720
CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70216212

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.
  40.900 14851.5 1
  43.000 301980.5 9
  44.000 178218.0 5
  55.200 14183182.5 402
  56.300 11212882.5 318
  57.100 400990.5 11
  59.200 4782183.0 135
  61.900 34653.5 1
  70.100 29703.0 1
  72.100 1811883.0 51
  73.100 232673.5 7
  75.000 14851.5 1
  76.000 14851.5 1
  82.200 2069309.0 59
  83.100 21321803.5 604
  86.000 158416.0 4
  88.100 59406.0 2
  88.900 59406.0 2
  89.700 39604.0 1
  100.100 9366346.0 265
  101.000 35267362.0 999
  118.100 2202972.5 62
//

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