ACCESSION: MSBNK-EPA-ENTACT_AGILENT002180
RECORD_TITLE: 2,2'-Dibenzoylaminodiphenyl disulfide; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-056r-0790000000-b49fbba0afe12ed9001f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  77.038577 4.301004 42
  105.033491 76.124414 760
  105.073248 2.224562 22
  124.021546 2.721912 27
  150.000811 14.732895 147
  212.052846 13.200926 131
  228.047761 100.000001 999
  228.105276 3.009136 30
  228.129085 1.509173 15
  229.052215 1.017319 10
  260.019832 1.306018 13
  457.103896 2.056707 20
//