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MassBank Record: KO002695

Diazoxide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002695
RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:40 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 D051

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$LINK: NIKKAJI J5.703G
CH$LINK: PUBCHEM SID:9164
CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022914

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 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 231
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-9200000000-044096d3b3178a811986
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  77.100 603961.0 999
  82.400 14851.5 25
  90.800 49505.0 82
  94.900 64356.5 106
  98.900 89109.0 147
  114.100 74257.5 123
  126.100 54455.5 90
  141.300 34653.5 57
  141.900 44554.5 74
  201.400 49505.0 82
//

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