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MassBank Record: KO003974

Spermidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003974
RECORD_TITLE: Spermidine; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00di-9000000000-a17975b66ed2c6f80f05
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  40.900 34653.5 1
  42.200 29703.0 1
  44.000 79208.0 1
  55.200 396040.0 7
  58.100 3336637.0 56
  66.800 54455.5 1
  69.100 232673.5 4
  70.200 400990.5 7
  71.500 608911.5 10
  72.100 59564416.0 999
  73.900 89109.0 1
  75.100 351485.5 6
  76.900 44554.5 1
  79.200 54455.5 1
  81.800 39604.0 1
  83.400 118812.0 2
  84.200 13693083.0 230
  85.900 54455.5 1
  91.100 59406.0 1
  96.800 29703.0 1
  97.900 69307.0 1
  102.200 59406.0 1
  112.100 6455452.0 108
  114.300 64356.5 1
  127.900 74257.5 1
  129.400 118812.0 2
  146.200 34653.5 1
//

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