ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001641
RECORD_TITLE: 4-AMINODIPHENYL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-AMINODIPHENYL
CH$NAME: (1,1'-DIPHENYL)-4-AMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₁N
CH$EXACT_MASS: 169.08915
CH$SMILES: Nc(c2)ccc(c2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H11N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,13H2
CH$LINK: CAS 92-67-1
CH$LINK: INCHIKEY DMVOXQPQNTYEKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5020071

AC$INSTRUMENT: VARIAN MAT-44
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-014i-6900000000-485d158d46307e7e68a3
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  32 2.57 26
  38 4.22 42
  39 18.23 182
  40 2.72 27
  41 4.87 49
  42 1.23 12
  43 1.25 13
  44 2.83 28
  50 7.03 70
  51 13.03 130
  52 6.87 69
  53 1.57 16
  54 1.73 17
  57 3.17 32
  58 5.08 51
  61 1.2 12
  62 4.51 45
  63 11.96 120
  64 4.11 41
  65 6.55 66
  66 1.91 19
  69 3.56 36
  70 8.23 82
  71 8.1 81
  72 1.1 11
  74 3.41 34
  75 4.51 45
  76 5.45 55
  77 8.76 88
  78 2.04 20
  83 14.27 143
  84 23.58 236
  85 6.08 61
  86 1.1 11
  87 1.96 20
  88 1.83 18
  89 6.4 64
  90 2.28 23
  91 1.65 17
  101 1.23 12
  102 2.57 26
  103 1.25 13
  113 1.88 19
  114 1.94 19
  115 10.78 108
  116 1.99 20
  126 1.36 14
  127 2.28 23
  128 2.01 20
  139 6.84 68
  140 4.48 45
  141 4.56 46
  142 1.25 13
  143 2.88 29
  151 1.67 17
  152 1.78 18
  153 1.02 10
  154 3.56 36
  166 7.34 73
  167 40.39 404
  168 86.35 864
  169 99.99 999
  170 13.43 134
//