ACCESSION: MSBNK-Keio_Univ-KO002692
RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-03di-0190000000-9f83244458c5cc11c589
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  73.500 19802.0 5
  74.800 34653.5 9
  91.900 34653.5 9
  99.800 69307.0 18
  105.000 59406.0 16
  107.100 39604.0 10
  120.900 79208.0 21
  123.100 34653.5 9
  140.400 14851.5 4
  144.700 19802.0 5
  148.700 24752.5 6
  157.500 24752.5 6
  171.000 69307.0 18
  181.200 64356.5 17
  189.900 19802.0 5
  199.200 217822.0 57
  213.500 34653.5 9
  214.300 3826736.5 999
  231.100 1821784.0 476
//