ACCESSION: MSBNK-EPA-ENTACT_AGILENT000178
RECORD_TITLE: N-Phenyl-1,4-benzenediamine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Phenyl-1,4-benzenediamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₂N₂
CH$EXACT_MASS: 184.1000483976
CH$SMILES: NC1C=CC(=CC=1)NC1C=CC=CC=1
CH$IUPAC: InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
CH$LINK: CAS 101-54-2
CH$LINK: INCHIKEY ATGUVEKSASEFFO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7564

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$FOCUSED_ION: PRECURSOR_M/Z 185.1073248493
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-5900000000-7607f223838a15fbe572
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  53.038577 2.327892 23
  54.033826 1.326465 13
  55.041651 1.324148 13
  65.038577 2.604909 26
  66.046402 3.373376 33
  67.041651 1.961059 19
  80.049476 25.83487 258
  81.057301 26.325316 262
  91.041651 2.321695 23
  93.057301 10.701462 106
  107.060375 28.239176 282
  108.0682 100.000001 999
  167.072951 2.024373 20
//