MassBank Record: KO003981

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

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

ACCESSION: KO003981
RECORD_TITLE: Spermine; 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 S011

CH$NAME: Spermine
CH$NAME: N,N'-Bis(3-aminopropyl)-1,4-butanediamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H26N4
CH$EXACT_MASS: 202.21575
CH$SMILES: NCCCNCCCCNCCCN
CH$IUPAC: InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
CH$LINK: CAS 71-44-3
CH$LINK: CHEBI 15746
CH$LINK: CHEMPDB SPM
CH$LINK: COMPTOX DTXSID9058781
CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N
CH$LINK: KEGG C00750
CH$LINK: NIKKAJI J5.246I
CH$LINK: PUBCHEM SID:4012

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$FOCUSED_ION: PRECURSOR_M/Z 203
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9000000000-1df19a69c6a0bfd8952c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.0 108911.0 4.0
  44.2 69307.0 3.0
  55.1 584159.0 22.0
  56.3 202970.0 8.0
  58.3 2183170.0 81.0
  66.8 44554.5 2.0
  67.9 34653.5 1.0
  69.9 801981.0 30.0
  72.0 1326730.0 49.0
  81.4 29703.0 1.0
  82.1 84158.5 3.0
  84.2 2.69703E7 999.0
  87.4 39604.0 1.0
  97.4 34653.5 1.0
  98.2 113862.0 4.0
  112.2 2079210.0 77.0
  143.3 9901.0 1.0
//