ACCESSION: MSBNK-Keio_Univ-KO002312
RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-0a4i-9000000000-3f1c0f186d2397481f21
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  29.100 49505.0 49
  39.200 94059.5 93
  41.000 153465.5 152
  42.900 103960.5 103
  43.900 59406.0 59
  44.800 163366.5 162
  53.100 133663.5 132
  55.200 1009902.0 999
  55.900 396040.0 392
  59.300 138614.0 137
//