MassBank Record: KO000607



 Diazoxide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000607
RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 229 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-0910000000-2dc8c72c747ff34f5534 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 35.200 405941.0 23 39.900 39604.0 2 49.800 14851.5 1 54.800 19802.0 1 57.400 39604.0 2 59.100 84158.5 5 61.900 326733.0 19 79.000 103960.5 6 87.700 54455.5 3 88.000 183168.5 10 89.000 376238.0 21 93.200 34653.5 2 96.200 19802.0 1 102.100 44554.5 3 103.300 14851.5 1 103.900 69307.0 4 108.300 39604.0 2 110.700 19802.0 1 111.300 84158.5 5 113.900 188119.0 11 115.100 202970.5 12 119.800 14851.5 1 121.400 14851.5 1 124.300 1544556.0 88 125.100 15356451.0 873 125.900 108911.0 6 128.500 440594.5 25 129.100 16306947.0 927 129.900 14851.5 1 133.000 24752.5 1 134.300 44554.5 3 135.900 103960.5 6 138.000 39604.0 2 138.500 34653.5 2 141.200 17574275.0 999 149.100 79208.0 5 150.200 262376.5 15 152.100 79208.0 5 152.400 44554.5 3 156.300 9901.0 1 165.200 10331693.5 587 166.300 64356.5 4 173.900 19802.0 1 187.900 84158.5 5 189.300 2673270.0 152 189.800 49505.0 3 193.200 1485150.0 84 229.100 9044563.5 514 //