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MassBank Record: KO002311

5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002311
RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-0a4i-9000000000-bb244ed6e602c72f2730
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  29.300 59406.0 8
  39.000 237624.0 31
  40.900 272277.5 35
  43.000 396040.0 52
  43.900 183168.5 24
  44.900 316832.0 41
  53.200 326733.0 43
  55.200 7668324.5 999
  56.200 3450498.5 450
  57.300 148515.0 19
  59.200 1688120.5 220
  62.200 19802.0 3
  71.900 178218.0 23
  82.100 44554.5 6
  83.000 79208.0 10
//

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