MassBank Record: KO000608



 Diazoxide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000608
RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 229 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-1900000000-dded4e98b05043368b90 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 25.700 14851.5 1 35.200 866337.5 85 40.000 49505.0 5 54.900 14851.5 1 57.400 44554.5 4 58.800 19802.0 2 62.000 445545.0 44 63.700 49505.0 5 78.000 128713.0 13 78.400 54455.5 5 81.700 39604.0 4 87.200 59406.0 6 88.400 490099.5 48 89.100 633664.0 62 91.600 14851.5 1 101.600 19802.0 2 103.700 34653.5 3 108.200 89109.0 9 113.000 84158.5 8 114.400 1143565.5 112 115.100 589109.5 58 123.100 34653.5 3 124.000 1386140.0 136 125.100 4064360.5 400 125.800 24752.5 2 127.900 69307.0 7 129.100 10158426.0 999 129.700 44554.5 4 141.000 2920795.0 287 149.800 54455.5 5 151.200 39604.0 4 152.100 29703.0 3 152.800 34653.5 3 165.400 1222773.5 120 166.300 39604.0 4 188.800 113861.5 11 189.400 163366.5 16 193.100 584159.0 57 193.800 64356.5 6 229.100 247525.0 24 //