ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001632
RECORD_TITLE: 3,4-DIMETHYLANILINE; 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$NAME: 3,4-DIMETHYLANILINE
CH$NAME: 3,4-XYLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: Nc(c1)cc(C)c(C)c1
CH$IUPAC: InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3
CH$LINK: INCHIKEY DOLQYFPDPKPQSS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026308

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$SPLASH: splash10-05fr-9800000000-b3c2a0148303510c0102
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  30 5.47 55
  32 3.69 37
  37 2.04 20
  38 6.92 69
  39 31.48 315
  40 6.32 63
  41 15.94 159
  42 12.91 129
  43 1.8 18
  44 1.97 20
  45 1.38 14
  46 4.28 43
  47 1.34 13
  49 2.17 22
  50 10.74 107
  51 20.32 203
  52 16.63 166
  53 19.74 197
  54 7.05 71
  58 11.62 116
  59 13.86 139
  60 9.44 94
  61 1.91 19
  62 3.8 38
  63 4.37 44
  64 5.51 55
  65 11.37 114
  66 5.27 53
  67 2.81 28
  74 1.66 17
  75 1.82 18
  76 2.7 27
  77 38.29 383
  78 11.2 112
  79 12.85 129
  80 7.49 75
  81 1.2 12
  89 2.37 24
  90 1.55 16
  91 22.14 221
  92 5.03 50
  93 12.47 125
  94 4.28 43
  102 1.23 12
  103 6.56 66
  104 4.63 46
  105 3.38 34
  106 99.97 1000
  107 8.17 82
  117 1.97 20
  118 5.53 55
  119 5.42 54
  120 93.89 939
  121 99.99 999
  122 9.07 91
//