MassBank Record: KO000302



 Dapsone; 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: KO000302
RECORD_TITLE: Dapsone; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 247 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-0920000000-ed66532a51b7d047462a PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 59.100 79208.0 30 91.000 356436.0 134 95.000 108911.0 41 96.700 44554.5 17 107.200 2663369.0 999 110.600 24752.5 9 113.200 14851.5 6 117.200 29703.0 11 124.900 44554.5 17 134.800 84158.5 32 137.500 19802.0 7 150.100 217822.0 82 150.400 123762.5 46 155.000 2054457.5 771 156.400 79208.0 30 165.100 1153466.5 433 180.700 29703.0 11 182.200 24752.5 9 182.900 103960.5 39 187.100 19802.0 7 210.900 69307.0 26 247.300 1985150.5 745 254.100 14851.5 6 269.200 9901.0 4 //