ACCESSION: MSBNK-EPA-ENTACT_AGILENT001144
RECORD_TITLE: 4-Nitrosodiphenylamine; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0002-0900000000-a43387757634d5e0e8fe
PK$NUM_PEAK: 2
PK$PEAK: m/z int. rel.int.
167.074048 13.008 129
197.072037 99.999997 999
//