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MassBank Record: KO000606

Diazoxide; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000606
RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:30 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 229
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-0590000000-b597fe9df00aeb0e5c42
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  59.000 84158.5 1
  62.100 64356.5 1
  89.000 49505.0 1
  96.700 59406.0 1
  98.800 19802.0 1
  103.700 39604.0 1
  109.000 49505.0 1
  111.200 59406.0 1
  118.200 9901.0 1
  121.900 29703.0 1
  123.900 113861.5 1
  125.100 5153470.5 61
  126.100 64356.5 1
  128.900 5638619.5 67
  134.100 74257.5 1
  136.300 79208.0 1
  138.200 128713.0 2
  139.700 24752.5 1
  141.000 11866348.5 140
  150.300 133663.5 2
  151.800 49505.0 1
  152.700 59406.0 1
  161.000 34653.5 1
  163.300 14851.5 1
  165.100 17257443.0 204
  166.000 59406.0 1
  187.900 138614.0 2
  189.100 6772284.0 80
  193.200 490099.5 6
  226.900 34653.5 1
  229.000 84445629.0 999
//

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