ACCESSION: MSBNK-Keio_Univ-KO003977
RECORD_TITLE: Spermine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0udi-0090000000-c22e98adb3dc62b1eb77
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  63.100 158416.0 1
  68.900 29703.0 1
  72.000 49505.0 1
  72.800 158416.0 1
  74.100 54455.5 1
  76.600 89109.0 1
  83.100 1930695.0 10
  84.400 69307.0 1
  87.200 638614.5 3
  98.800 24752.5 1
  101.200 54455.5 1
  106.800 24752.5 1
  109.300 138614.0 1
  112.000 1396041.0 7
  113.000 69307.0 1
  113.900 74257.5 1
  114.500 14851.5 1
  120.800 599010.5 3
  126.200 94059.5 1
  127.300 59406.0 1
  128.400 29703.0 1
  129.200 11628724.5 62
  139.000 108911.0 1
  139.400 19802.0 1
  142.800 247525.0 1
  144.800 470297.5 3
  153.000 19802.0 1
  168.000 49505.0 1
  170.800 297030.0 2
  185.100 158416.0 1
  186.000 683169.0 4
  203.400 187475435.0 999
//