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) \n

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
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 //