ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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)
CH$LINK: INCHIKEY ZHMIOPLMFZVSHY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7041629

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
//