ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001629
RECORD_TITLE: 2,4-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$NAME: 2,4-DIMETHYLANILINE
CH$NAME: 2,4-XYLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: Cc(c1)cc(C)c(N)c1
CH$IUPAC: InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3
CH$LINK: CAS 95-68-1
CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026305

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$SPLASH: splash10-00di-9700000000-0f928ff652dfde624a17
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  30 7.35 74
  37 1.93 19
  38 6.54 65
  39 32.2 322
  40 2.39 24
  41 16.46 165
  42 14.88 149
  45 1.62 16
  46 5.05 51
  47 2.11 21
  49 1.39 14
  50 11.9 119
  51 20.16 202
  52 18.67 187
  53 15.74 157
  54 8.07 81
  55 2.88 29
  56 1.3 13
  57 2.34 23
  58 10.23 102
  59 13.93 139
  60 12.08 121
  61 2.39 24
  62 4.37 44
  63 4.78 48
  64 5.63 56
  65 10.19 102
  66 4.73 47
  67 2.84 28
  68 1.21 12
  69 1.03 10
  70 1.03 10
  73 1.66 17
  74 1.71 17
  75 1.84 18
  76 3.11 31
  77 39.73 397
  78 13.57 136
  79 15.74 157
  80 8.61 86
  81 1.8 18
  89 2.75 28
  90 1.84 18
  91 24.17 242
  92 5.72 57
  93 10.59 106
  94 3.24 32
  102 1.89 19
  103 7.8 78
  104 5.32 53
  105 5.41 54
  106 89.58 896
  107 7.75 78
  117 2.66 27
  118 6.13 61
  119 4.23 42
  120 87.68 877
  121 99.99 999
  122 8.7 87
//