ACCESSION: MSBNK-EPA-ENTACT_AGILENT002177
RECORD_TITLE: 2,2'-Dibenzoylaminodiphenyl disulfide; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,2'-Dibenzoylaminodiphenyl disulfide
CH$NAME: DTXSID7041629
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₂₀N₂O₂S₂
CH$EXACT_MASS: 456.0966193574
CH$SMILES: O=C(NC1C=CC=CC=1SSC1=CC=CC=C1NC(=O)C1C=CC=CC=1)C1C=CC=CC=1
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: CAS 135-57-9
CH$LINK: INCHIKEY ZHMIOPLMFZVSHY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67271

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 455.0893429057
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03fr-0190000000-03f9fce819b2fad45c9e
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  123.014818 1.4707 14
  134.006993 30.224425 301
  150.001908 1.019377 10
  181.973979 1.4777 14
  196.076788 3.595467 35
  210.038294 100.000004 999
  210.092438 1.332927 13
  211.042748 2.948791 29
  228.048858 65.244848 651
  229.053312 1.649082 16
//