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MassBank Record: KO003972

Spermidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO003972
RECORD_TITLE: Spermidine; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0002-0900000000-f2ca6698501cf6a406df
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  50.100 2816834.5 13
  64.000 69307.0 1
  68.300 44554.5 1
  72.100 11529714.5 53
  73.700 39604.0 1
  75.200 3940598.0 18
  77.900 4500004.5 21
  82.200 425743.0 2
  83.400 108911.0 1
  84.100 133663.5 1
  86.100 34653.5 1
  87.100 64356.5 1
  88.000 24752.5 1
  93.000 79208.0 1
  96.300 54455.5 1
  97.300 44554.5 1
  99.200 19802.0 1
  101.000 34653.5 1
  101.900 123762.5 1
  103.100 282178.5 1
  104.100 89109.0 1
  109.000 34653.5 1
  110.000 59406.0 1
  111.100 806931.5 4
  112.200 4871292.0 22
  114.200 1034654.5 5
  116.100 24752.5 1
  124.700 534654.0 2
  128.100 74257.5 1
  129.000 17712889.0 82
  145.100 148515.0 1
  146.300 216539820.5 999
  205.000 34653.5 1
  248.500 29703.0 1
//

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