ACCESSION: MSBNK-Keio_Univ-KO003978
RECORD_TITLE: Spermine; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-01t9-0900000000-76aa5e4bf523c2027cba
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  47.100 19802.0 1
  58.100 500000.5 7
  62.800 420792.5 6
  69.200 49505.0 1
  71.300 44554.5 1
  72.000 1465348.0 22
  72.900 79208.0 1
  74.900 69307.0 1
  76.900 366337.0 5
  83.400 460396.5 7
  84.400 2430695.5 36
  87.300 544555.0 8
  88.400 44554.5 1
  97.900 69307.0 1
  98.300 14851.5 1
  99.300 29703.0 1
  101.700 34653.5 1
  104.800 148515.0 2
  109.300 79208.0 1
  112.200 48168365.0 721
  115.000 79208.0 1
  120.800 84158.5 1
  122.300 14851.5 1
  126.300 24752.5 1
  126.900 84158.5 1
  129.100 66727789.5 999
  131.800 24752.5 1
  132.300 64356.5 1
  143.300 39604.0 1
  157.000 24752.5 1
  158.400 19802.0 1
  168.200 39604.0 1
  170.700 34653.5 1
  186.000 193069.5 3
  203.400 10366347.0 155
//