ACCESSION: MSBNK-Keio_Univ-KO003979
RECORD_TITLE: Spermine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-03di-4900000000-b762c20d8a09a78cf931
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  38.500 34653.5 1
  44.000 44554.5 1
  58.300 3425746.0 50
  63.200 193069.5 3
  68.900 54455.5 1
  69.900 529703.5 8
  72.100 4000004.0 59
  73.000 64356.5 1
  76.900 178218.0 3
  80.900 29703.0 1
  81.400 14851.5 1
  84.200 24653490.0 361
  87.300 386139.0 6
  95.200 19802.0 1
  98.200 252475.5 4
  104.800 19802.0 1
  110.000 34653.5 1
  112.200 68272345.5 999
  115.400 54455.5 1
  116.500 24752.5 1
  120.600 9901.0 1
  127.300 84158.5 1
  128.900 6188125.0 91
  132.900 14851.5 1
  158.300 39604.0 1
  175.100 59406.0 1
  185.100 14851.5 1
//