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MassBank Record: KO002546

Cadaverine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO002546
RECORD_TITLE: Cadaverine; 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 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 50 V

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

PK$SPLASH: splash10-000f-9000000000-f587d60dae808b85e35f
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  30.100 311881.5 177
  39.000 371287.5 210
  41.100 1762378.0 999
  44.000 133663.5 76
  67.100 84158.5 48
  68.100 34653.5 20
  69.300 455446.0 258
  70.700 14851.5 8
  86.000 569307.5 323
//

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