MassBank Record: JP003302



 DI-O-BENZAMIDODIPHENYL DISULFIDE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003302
RECORD_TITLE: DI-O-BENZAMIDODIPHENYL DISULFIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DI-O-BENZAMIDODIPHENYL DISULFIDE CH$COMPOUND_CLASS: N/A CH$FORMULA: C26H20N2O2S2 CH$EXACT_MASS: 456.09662 CH$SMILES: c(c3NC(=O)c(c4)cccc4)(cccc3)SSc(c1NC(=O)c(c2)cccc2)cccc1 CH$IUPAC: InChI=1S/C26H20N2O2S2/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)
AC$INSTRUMENT: JEOL JMS-01-SG-2 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0bvi-6970000000-29ee26b861b40ac4739d PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 43 3.4 34 45 2.8 28 50 3.7 37 51 9.5 95 52 1.9 19 54 1.7 17 56 4.1 41 57 3 30 58 2.6 26 62 3.7 37 63 1.7 17 65 2.3 23 69 8.2 82 71 1.5 15 73 1.9 19 74 1.5 15 75 1.9 19 76 1.7 17 77 38.1 381 78 3.4 34 82 3.7 37 92 3 30 96 1.5 15 101 2.3 23 105 99.99 999 106 3.2 32 108 12.4 124 109 2.3 23 122 2.6 26 143 1.5 15 149 3.2 32 150 7.1 71 167 3.2 32 184 2.1 21 196 10.4 104 197 6.5 65 198 1.7 17 209 1.5 15 210 10 100 211 64.7 647 212 10.8 108 213 3.4 34 228 24.8 248 229 10.8 108 230 2.6 26 424 1.7 17 455 7.6 76 456 2.6 26 457 1.7 17 //