MassBank Record: KO002543

Home Search Record Index Data Privacy Imprint

Cadaverine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO002543
RECORD_TITLE: Cadaverine; 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 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$EXACT_MASS: 102.1157
CH$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$LINK: COMPTOX DTXSID5075448
CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N
CH$LINK: KEGG C01672
CH$LINK: NIKKAJI J5.771A
CH$LINK: PUBCHEM SID:4816

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

PK$SPLASH: splash10-000i-9000000000-e7f100cf1764df7c5c7d
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  30.2 69307.0 1.0
  41.1 490100.0 5.0
  44.1 29703.0 1.0
  66.9 202970.0 2.0
  69.0 1.24555E7 118.0
  73.4 34653.5 1.0
  86.2 1.05847E8 999.0
  103.1 534654.0 5.0
//