ACCESSION: MSBNK-Keio_Univ-KO003976
RECORD_TITLE: Spermidine; 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 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 50 V

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

PK$SPLASH: splash10-00di-9000000000-f0b03de09cb13146e794
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  30.200 123762.5 28
  41.300 138614.0 31
  42.000 138614.0 31
  43.800 118812.0 27
  44.400 24752.5 6
  55.200 415842.0 94
  55.500 54455.5 12
  56.500 49505.0 11
  58.100 450495.5 101
  66.400 34653.5 8
  68.900 49505.0 11
  70.200 123762.5 28
  72.000 4435648.0 999
  81.200 14851.5 3
  84.100 1638615.5 369
//