ACCESSION: MSBNK-Keio_Univ-KO003973
RECORD_TITLE: Spermidine; 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 S003

CH$NAME: Spermidine
CH$NAME: N-(3-Aminopropyl)-1,4-butane-diamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₉N₃
CH$EXACT_MASS: 145.15790
CH$SMILES: NCCCCNCCCN
CH$IUPAC: InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
CH$LINK: CAS 124-20-9
CH$LINK: CHEBI 16610
CH$LINK: CHEMPDB SPD
CH$LINK: KEGG C00315
CH$LINK: NIKKAJI J10.054D
CH$LINK: PUBCHEM SID:3609
CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4036645

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$FOCUSED_ION: PRECURSOR_M/Z 146
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00di-9300000000-6716ccbd090bf8fe3521
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  44.100 69307.0 1
  55.100 89109.0 1
  57.100 39604.0 1
  58.300 2143566.5 24
  61.000 84158.5 1
  69.200 222772.5 2
  71.200 222772.5 2
  72.100 90376328.0 999
  73.000 39604.0 1
  75.200 5960402.0 66
  78.100 34653.5 1
  82.200 44554.5 1
  83.200 569307.5 6
  84.100 4514856.0 50
  86.000 103960.5 1
  87.200 39604.0 1
  88.200 14851.5 1
  89.000 54455.5 1
  93.000 89109.0 1
  97.100 49505.0 1
  98.200 19802.0 1
  101.100 54455.5 1
  102.000 202970.5 2
  103.000 59406.0 1
  103.800 34653.5 1
  111.100 381188.5 4
  112.100 27173294.5 300
  114.200 386139.0 4
  129.200 9658425.5 107
  135.300 79208.0 1
  146.400 5173272.5 57
//