ACCESSION: MSBNK-Keio_Univ-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$LINK: KEGG C00750
CH$LINK: NIKKAJI J5.246I
CH$LINK: PUBCHEM SID:4012
CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9058781

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.
  29.800 19802.0 1
  41.900 49505.0 1
  43.100 34653.5 1
  44.100 84158.5 2
  55.200 217822.0 5
  56.300 99010.0 2
  58.100 4207925.0 95
  62.800 44554.5 1
  66.600 49505.0 1
  68.800 54455.5 1
  70.100 1509902.5 34
  72.100 3044557.5 68
  76.700 14851.5 1
  83.300 29703.0 1
  84.200 44440638.5 999
  87.000 153465.5 3
  98.200 301980.5 7
  110.300 123762.5 3
  112.300 19603980.0 441
  129.400 232673.5 5
  142.400 29703.0 1
//