MassBank Record: KO000303



 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: KO000303
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 247 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4l-3900000000-a1f636a2e557bc9b69a5 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 59.000 118812.0 37 64.300 39604.0 12 73.100 34653.5 11 78.700 14851.5 5 91.100 1633665.0 512 92.200 39604.0 12 95.000 64356.5 20 96.900 19802.0 6 104.200 14851.5 5 106.100 19802.0 6 107.200 3188122.0 999 108.200 29703.0 9 119.000 89109.0 28 132.300 14851.5 5 135.000 59406.0 19 136.900 24752.5 8 143.200 19802.0 6 150.200 841585.0 264 155.000 277228.0 87 156.100 158416.0 50 165.200 301980.5 95 211.500 34653.5 11 247.600 49505.0 16 //