MassBank Record: KO000304



 Dapsone; 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: KO000304
RECORD_TITLE: Dapsone; 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 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 247 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-052f-9800000000-3557ad8246dc0a0aa05c PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 59.000 79208.0 39 63.800 34653.5 17 72.800 19802.0 10 91.100 2014853.5 999 107.000 1242575.5 616 117.200 79208.0 39 118.700 94059.5 47 123.100 14851.5 7 150.200 450495.5 223 155.300 24752.5 12 165.500 49505.0 25 //