ACCESSION: MSBNK-Keio_Univ-KO002544
RECORD_TITLE: Cadaverine; LC-ESI-QQ; MS2; CE:30 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 C032

CH$NAME: 1,5-Diaminopentane
CH$NAME: 1,5-Pentanediamine
CH$NAME: Cadaverine
CH$NAME: Pentamethylenediamine
CH$COMPOUND_CLASS: Non-Natural Product
CH$FORMULA: C₅H₁₄N₂
CH$EXACT_MASS: 102.11570
CH$SMILES: NCCCCCN
CH$IUPAC: InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
CH$LINK: CAS 462-94-2
CH$LINK: CHEBI 18127
CH$LINK: CHEMPDB N2P
CH$LINK: KEGG C01672
CH$LINK: NIKKAJI J5.771A
CH$LINK: PUBCHEM SID:4816
CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5075448

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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 103
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00kr-9000000000-dd3cb46607a44329a47e
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  30.200 282178.5 24
  39.300 34653.5 3
  41.200 2792082.0 235
  43.200 94059.5 8
  43.900 99010.0 8
  53.300 14851.5 1
  66.800 326733.0 28
  69.100 6237630.0 526
  86.200 11851497.0 999
//