MassBank Record: MSBNK-EPA-ENTACT_AGILENT000179

N-Phenyl-1,4-benzenediamine; ESI-QTOF; MS2; CE: 20; [M+H]+

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000179
RECORD_TITLE: N-Phenyl-1,4-benzenediamine; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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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

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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 20

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

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PK$SPLASH: splash10-0a4i-0900000000-7da212101f9e0f140127
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  80.049476 1.112503 11
  92.049476 1.300331 12
  93.057301 9.038 90
  107.060375 12.583019 125
  108.0682 99.999999 999
  168.080776 4.121687 41
  185.107325 11.087049 110
//