ACCESSION: MSBNK-EPA-ENTACT_AGILENT001143
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 POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 199.0865894078
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-003r-0900000000-080113dafa64a7e2680f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  51.022927 1.805633 18
  66.046402 2.318583 23
  77.038577 9.930437 99
  78.046402 1.841958 18
  101.038577 3.03031 30
  103.054227 2.967455 29
  127.054227 6.19967 61
  128.049476 56.687565 566
  129.057301 1.833824 18
  129.069877 1.038044 10
  130.065126 4.644393 46
  154.065126 19.067115 190
  167.072951 7.048436 70
  168.080776 6.286943 62
  179.060375 1.146849 11
  180.0682 1.610138 16
  181.076025 99.999997 999
//