ACCESSION: MSBNK-EPA-ENTACT_AGILENT000835
RECORD_TITLE: N-Isopropyl-N'-phenyl-p-phenylenediamine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-Isopropyl-N'-phenyl-p-phenylenediamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₈N₂
CH$EXACT_MASS: 226.146998589
CH$SMILES: CC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1
CH$IUPAC: InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
CH$LINK: CAS 101-72-4
CH$LINK: INCHIKEY OUBMGJOQLXMSNT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7573

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$FOCUSED_ION: PRECURSOR_M/Z 227.1542750407
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-053r-1900000000-d8f6ff45c38734ad702e
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  66.046402 4.886204 48
  77.038577 1.936076 19
  79.041651 1.402771 14
  80.049476 19.986293 199
  81.057301 13.598434 135
  81.069877 1.297187 12
  91.041651 1.060116 10
  91.054227 1.661663 16
  93.057301 11.272319 112
  106.05255 3.023844 30
  106.065126 2.39083 23
  107.060375 92.954682 928
  108.0682 1.414228 14
  118.05255 9.927083 99
  118.065126 9.693164 96
  119.072951 8.245063 82
  120.080776 1.625709 16
  129.069877 1.416778 14
  130.065126 4.175851 41
  135.091675 1.276572 12
  139.054227 1.121459 11
  143.072951 1.899394 18
  144.080776 1.938408 19
  156.080776 4.830467 48
  157.088601 3.295074 32
  166.065126 15.88752 158
  167.072951 7.966165 79
  168.080776 3.912952 39
  169.088601 6.759326 67
  170.096426 8.570088 85
  182.08385 4.026222 40
  183.091675 42.533236 424
  184.0995 100.000004 999
  212.1308 2.35439 23
//