MassBank Record: KO008938

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Diazoxide; LC-ESI-IT; MS3; m/z: 231/142; [M+H]+

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

ACCESSION: KO008938
RECORD_TITLE: Diazoxide; LC-ESI-IT; MS3; m/z: 231/142; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D051
COMMENT: [MS2] KO008936

CH$NAME: Diazoxide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H7ClN2O2S
CH$EXACT_MASS: 229.991680000000002337401383556425571441650390625
CH$SMILES: CC(N1)=NS(=O)(=O)c(c2)c(ccc(Cl)2)1
CH$IUPAC: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)
CH$LINK: CAS 364-98-7
CH$LINK: COMPTOX DTXSID7022914
CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N
CH$LINK: KEGG C06949
CH$LINK: PUBCHEM 9164

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.75/0.40

MS$FOCUSED_ION: PRECURSOR_M/Z 231/142
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-01ox-0900000000-a571b5d98c4ec4c1f394
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  114.0 123.64 560
  114.6 4.99 23
  140.9 22.54 102
  142.0 220.63 999
  143.0 1.84 8
  177.1 2.14 10
  187.1 2.22 10
//