ACCESSION: MSBNK-Keio_Univ-KO003981
RECORD_TITLE: Spermine; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-001i-9000000000-1df19a69c6a0bfd8952c
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  41.000 108911.0 4
  44.200 69307.0 3
  55.100 584159.0 22
  56.300 202970.5 8
  58.300 2183170.5 81
  66.800 44554.5 2
  67.900 34653.5 1
  69.900 801981.0 30
  72.000 1326734.0 49
  81.400 29703.0 1
  82.100 84158.5 3
  84.200 26970324.0 999
  87.400 39604.0 1
  97.400 34653.5 1
  98.200 113861.5 4
  112.200 2079210.0 77
  143.300 9901.0 1
//