ACCESSION: MSBNK-EPA-ENTACT_AGILENT002065
RECORD_TITLE: 4-Nitro-N-phenylaniline; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0002-9100000000-faa5d6d68d1a51472f8a
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  45.993452 99.999996 999
  46.017261 2.550749 25
  46.029837 1.258872 12
  90.034923 1.367344 13
  107.037662 1.61246 16
  137.035651 3.320943 33
  154.066223 1.261289 12
  165.058398 1.66557 16
  166.066223 2.415379 24
  167.074048 2.271114 22
  181.053312 2.167834 21
  182.061137 1.821976 18
//