ACCESSION: MSBNK-Keio_Univ-KO002693
RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0bu3-1950000000-80f36d9e4aae5c2acf9c
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  57.300 24752.5 33
  62.600 24752.5 33
  72.700 29703.0 40
  76.900 49505.0 66
  90.800 54455.5 73
  91.700 74257.5 99
  100.300 143564.5 192
  100.800 29703.0 40
  112.300 19802.0 26
  126.200 74257.5 99
  138.300 14851.5 20
  141.000 514852.0 688
  141.900 54455.5 73
  157.900 747525.5 999
  170.200 19802.0 26
  171.500 29703.0 40
  190.100 103960.5 139
  196.300 133663.5 179
  214.400 653466.0 873
  216.500 24752.5 33
  231.100 440594.5 589
//