ACCESSION: MSBNK-EPA-ENTACT_AGILENT002064
RECORD_TITLE: 4-Nitro-N-phenylaniline; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Nitro-N-phenylaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₀N₂O₂
CH$EXACT_MASS: 214.0742275784
CH$SMILES: [O-][N+](=O)C1C=CC(=CC=1)NC1C=CC=CC=1
CH$IUPAC: InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
CH$LINK: CAS 836-30-6
CH$LINK: INCHIKEY XXYMSQQCBUKFHE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:13271

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 213.0669511267
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-03di-1190000000-e4ebf4b744da79cb2742
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  45.993452 12.367787 123
  137.035651 1.000752 9
  167.074048 1.115267 11
  182.061137 2.110214 21
  183.068962 15.010354 149
  211.051301 3.068562 30
  213.066951 100.000003 999
//