MassBank Record: KO002386



 Dapsone; 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: KO002386
RECORD_TITLE: Dapsone; 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 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 249 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052f-9500000000-caa724a9dddce38f915b PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 57.100 44554.5 23 65.200 282178.5 145 68.500 19802.0 10 79.800 123762.5 64 92.100 1940596.0 999 93.100 386139.0 199 99.700 29703.0 15 101.300 9901.0 5 106.300 29703.0 15 108.100 1534655.0 790 110.100 59406.0 31 136.900 39604.0 20 142.800 14851.5 8 //