ACCESSION: MSBNK-EPA-ENTACT_AGILENT002178
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 457.1038958091
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-1910000000-643b1b14c9fd263a1af0
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  51.022927 1.829356 18
  77.038577 22.95017 229
  105.033491 100.000001 999
  105.073248 3.067333 30
  106.02874 1.750619 17
  109.010647 3.35194 33
  124.021546 2.492894 24
  150.000811 48.633987 485
  150.04575 1.136197 11
  195.067865 1.293451 12
  212.052846 6.109365 61
  228.047761 12.482114 124
//