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MassBank Record: KO008937

Diazoxide; LC-ESI-IT; MS3; m/z: 231/190; [M+H]+

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

ACCESSION: KO008937
RECORD_TITLE: Diazoxide; LC-ESI-IT; MS3; m/z: 231/190; [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: 229.99168
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: KEGG C06949
CH$LINK: PUBCHEM 9164
CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022914

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 0.75/0.90

MS$FOCUSED_ION: PRECURSOR_M/Z 231/190
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a4i-0290000000-ccdad697509032cbe968
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  74.1 3.92 2
  91.1 2.08 1
  102.0 1.92 1
  108.1 1.69 1
  126.0 240.10 139
  126.9 8.61 5
  142.0 173.65 101
  144.0 131.72 76
  171.8 7.00 4
  174.1 1.77 1
  208.0 1721.61 999
  208.9 21.23 12
  209.8 8.62 5
  210.6 0.92 1
  222.0 5.46 3
  235.1 5.39 3
  240.1 1.92 1
//

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