ACCESSION: MSBNK-Keio_Univ-KO002694
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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

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

PK$SPLASH: splash10-004l-6900000000-49c0abb20e85be8d5cdc
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  56.900 49505.0 133
  70.100 14851.5 40
  72.400 29703.0 80
  77.200 371287.5 999
  84.200 24752.5 67
  91.100 54455.5 147
  91.500 59406.0 160
  95.000 39604.0 107
  97.400 14851.5 40
  100.000 69307.0 186
  104.900 39604.0 107
  109.200 24752.5 67
  126.100 237624.0 639
  138.700 9901.0 27
  141.000 301980.5 813
  141.900 103960.5 280
  158.300 123762.5 333
  231.200 34653.5 93
//