MassBank Record: KO000301



 Dapsone; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000301
RECORD_TITLE: Dapsone; 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 A220

CH$NAME: 4-Aminophenylsulfone CH$NAME: 4,4'-Sulfonylbisbenzenamine CH$NAME: Dapsone CH$NAME: Diaphenylsulfone CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H12N2O2S CH$EXACT_MASS: 248.06195 CH$SMILES: Nc(c2)ccc(c2)S(=O)(=O)c(c1)ccc(N)c1 CH$IUPAC: InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2 CH$LINK: CAS 80-08-0 CH$LINK: KEGG C07666 CH$LINK: NIKKAJI J4.247A CH$LINK: PUBCHEM SID:9868
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 247 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0290000000-f1e61c46f1720875a177 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 58.900 69307.0 7 89.000 19802.0 2 95.000 272277.5 27 97.000 44554.5 4 107.000 113861.5 11 110.500 34653.5 3 117.000 54455.5 5 124.900 19802.0 2 135.200 113861.5 11 141.000 24752.5 2 143.300 29703.0 3 149.100 24752.5 2 154.900 405941.0 40 158.600 19802.0 2 165.000 1930695.0 191 166.800 19802.0 2 184.900 19802.0 2 186.900 89109.0 9 209.100 39604.0 4 211.400 178218.0 18 214.300 14851.5 1 247.300 10103970.5 999 248.200 14851.5 1 254.100 19802.0 2 269.300 59406.0 6 //