ACCESSION: MSBNK-Keio_Univ-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$EXACT_MASS: 102.11570
CH$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 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.
  30.200 69307.0 1
  41.100 490099.5 5
  44.100 29703.0 1
  66.900 202970.5 2
  69.000 12455458.0 118
  73.400 34653.5 1
  86.200 105846640.5 999
  103.100 534654.0 5
//