ACCESSION: MSBNK-EPA-ENTACT_AGILENT000349
RECORD_TITLE: N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: N-(4-Methylpentan-2-yl)-N-phenylbenzene-1,4-diamine
CH$NAME: DTXSID3044966
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₄N₂
CH$EXACT_MASS: 268.1939487804
CH$SMILES: CC(C)CC(C)N(C1C=CC=CC=1)C1C=CC(N)=CC=1
CH$IUPAC: InChI=1S/C18H24N2/c1-14(2)13-15(3)20(17-7-5-4-6-8-17)18-11-9-16(19)10-12-18/h4-12,14-15H,13,19H2,1-3H3
CH$LINK: CAS 61931-82-6
CH$LINK: INCHIKEY KZTCAXCBXSIQSS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:93335

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$FOCUSED_ION: PRECURSOR_M/Z 269.2012252321
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00lr-1900000000-f3ae585bac60908fffdc
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  41.038577 5.680242 56
  43.054227 24.698793 246
  57.069877 4.267226 42
  65.038577 1.094972 10
  66.046402 1.210114 12
  80.049476 2.508218 25
  81.057301 3.547578 35
  91.054227 2.551867 25
  92.049476 3.915281 39
  92.062052 2.098314 20
  93.057301 20.5683 205
  94.065126 1.521285 15
  106.065126 1.350096 13
  107.060375 22.837801 228
  108.0682 5.289429 52
  117.057301 2.373476 23
  118.05255 2.371644 23
  118.065126 21.000344 209
  119.072951 11.29887 112
  120.080776 1.129257 11
  129.069877 2.151236 21
  130.065126 1.029721 10
  139.054227 5.439962 54
  140.049476 2.83523 28
  143.072951 2.195769 21
  156.080776 3.440449 34
  157.088601 1.402583 14
  166.065126 25.001457 249
  167.072951 21.919009 218
  168.080776 10.570952 105
  169.088601 27.965413 279
  170.096426 3.737855 37
  181.076025 2.411883 24
  182.08385 15.545701 155
  183.091675 29.80177 297
  184.0995 99.999997 999
  185.107325 14.43211 144
  194.096426 2.262906 22
  196.0995 1.463626 14
  197.107325 1.406575 14
  209.107325 2.34068 23
  210.11515 11.183472 111
  211.122975 14.514766 145
  212.1308 2.162406 21
//