MassBank Record: MSBNK-EPA-ENTACT_AGILENT000178
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
//