ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001633
RECORD_TITLE: 3,5-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$NAME: 3,5-DIMETHYLANILINE
CH$NAME: 3,5-XYLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H11N
CH$EXACT_MASS: 121.08915
CH$SMILES: Cc(c1)cc(N)cc(C)1
CH$IUPAC: InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3
CH$LINK: INCHIKEY MKARNSWMMBGSHX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8026309
AC$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-f46a48e55a4e2c693af2
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  30 4.85 49
  37 2.26 23
  38 7.86 79
  39 33.34 333
  40 5.15 52
  41 13.67 137
  42 12.56 126
  46 3.12 31
  47 1.2 12
  49 1.79 18
  50 11.77 118
  51 17.42 174
  52 15.47 155
  53 14.51 145
  54 5.69 57
  58 8.18 82
  59 10.54 105
  60 5.84 58
  61 1.47 15
  62 4.31 43
  63 3.08 31
  64 7.04 70
  65 9.21 92
  66 4.8 48
  67 1.6 16
  74 1.52 15
  75 1.79 18
  76 2.9 29
  77 35.68 357
  78 11.95 120
  79 15.17 152
  80 7.61 76
  89 2.19 22
  90 1.45 15
  91 19.66 197
  92 4.41 44
  93 11.13 111
  94 4.06 41
  102 1.08 11
  103 5.84 58
  104 4.75 48
  105 4.46 45
  106 89.92 899
  107 7.19 72
  117 1.65 17
  118 4.28 43
  119 4.06 41
  120 73.73 737
  121 99.99 999
  122 8.99 90
//
