MassBank Record: KO003980

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Spermine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003980
RECORD_TITLE: Spermine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-001i-9300000000-0428cb6df2b593ded567
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  29.8 19802.0 1.0
  41.9 49505.0 1.0
  43.1 34653.5 1.0
  44.1 84158.5 2.0
  55.2 217822.0 5.0
  56.3 99010.0 2.0
  58.1 4207920.0 95.0
  62.8 44554.5 1.0
  66.6 49505.0 1.0
  68.8 54455.5 1.0
  70.1 1509900.0 34.0
  72.1 3044560.0 68.0
  76.7 14851.5 1.0
  83.3 29703.0 1.0
  84.2 4.44406E7 999.0
  87.0 153466.0 3.0
  98.2 301980.0 7.0
  110.3 123762.0 3.0
  112.3 1.9604E7 441.0
  129.4 232674.0 5.0
  142.4 29703.0 1.0
//