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MassBank Record: KO003975

Spermidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO003975
RECORD_TITLE: Spermidine; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-00di-9000000000-18cdaecf173b5d79902a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  30.100 183168.5 8
  41.000 94059.5 4
  41.900 103960.5 4
  42.900 79208.0 3
  44.100 163366.5 7
  55.300 787129.5 33
  55.700 39604.0 2
  58.200 1831685.0 77
  66.900 34653.5 1
  68.400 24752.5 1
  68.900 133663.5 6
  69.900 321782.5 13
  72.000 23836657.5 999
  73.900 29703.0 1
  77.200 44554.5 2
  83.000 24752.5 1
  84.200 9183177.5 385
  97.900 39604.0 2
  110.200 14851.5 1
  112.300 539604.5 23
//

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