ACCESSION: MSBNK-EPA-ENTACT_AGILENT001141
RECORD_TITLE: 4-Nitrosodiphenylamine; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Nitrosodiphenylamine
CH$NAME: DTXSID1021031
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀N₂O
CH$EXACT_MASS: 198.0793129561
CH$SMILES: O=NC1C=CC(=CC=1)NC1C=CC=CC=1
CH$IUPAC: InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
CH$LINK: CAS 156-10-5
CH$LINK: INCHIKEY OIJHFHYPXWSVPF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9074

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$FOCUSED_ION: PRECURSOR_M/Z 197.0720365044
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-014l-9700000000-fa36892c2f6afd941609
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  38.016199 4.004817 40
  39.024024 1.306367 13
  40.019273 2.585148 25
  50.003623 16.848167 168
  64.019273 13.109614 130
  75.024024 2.543808 25
  90.034923 100.000004 999
  91.042748 4.933908 49
  92.050573 2.892354 28
  121.040736 2.524744 25
  128.050573 1.10336 11
  140.050573 1.320546 13
  165.058398 3.767372 37
  166.066223 77.54978 774
  167.074048 32.808174 327
//