MassBank Record: KO004107

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

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

ACCESSION: KO004107
RECORD_TITLE: Trientine; 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 T021

CH$NAME: Trientine
CH$NAME: Triethylenetetramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H18N4
CH$EXACT_MASS: 146.15315
CH$SMILES: NCCNCCNCCN
CH$IUPAC: InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
CH$LINK: CAS 112-24-3
CH$LINK: CHEBI 9705
CH$LINK: CHEMPDB 104
CH$LINK: COMPTOX DTXSID9023702
CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N
CH$LINK: KEGG C07166
CH$LINK: NIKKAJI J5.120I
CH$LINK: PUBCHEM SID:9375

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$FOCUSED_ION: PRECURSOR_M/Z 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0002-0900000000-a71c042b9b4739000226
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  50.0 39604.0 1.0
  71.0 168317.0 4.0
  76.1 34653.5 1.0
  83.1 613862.0 14.0
  84.1 54455.5 1.0
  84.8 24752.5 1.0
  87.3 4460400.0 101.0
  88.0 24752.5 1.0
  100.9 19802.0 1.0
  102.2 29703.0 1.0
  104.2 34653.5 1.0
  112.0 84158.5 2.0
  113.2 316832.0 7.0
  114.9 569308.0 13.0
  116.0 9901.0 1.0
  128.8 163366.0 4.0
  129.9 4490100.0 101.0
  147.3 4.42822E7 999.0
//