ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001630
RECORD_TITLE: 2,5-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$NAME: 2,5-DIMETHYLANILINE
CH$NAME: 2,5-XYLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁N
CH$EXACT_MASS: 121.08915
CH$SMILES: Cc(c1)cc(N)c(C)c1
CH$IUPAC: InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3
CH$LINK: INCHIKEY VOWZNBNDMFLQGM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026306

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$SPLASH: splash10-05i0-9600000000-5da2b91cd08d98c443ea
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  30 8.82 88
  37 2.78 28
  38 9.41 94
  39 42.18 422
  40 4.02 40
  41 21.97 220
  42 19.37 194
  43 4.44 44
  45 2.13 21
  46 4.56 46
  47 2.31 23
  49 1.54 15
  50 15.34 153
  51 28.61 286
  52 20.02 200
  53 22.15 222
  54 8.47 85
  55 4.38 44
  56 1.71 17
  57 3.43 34
  58 8.94 89
  59 13.8 138
  60 13.03 130
  61 2.9 29
  62 5.33 53
  63 6.57 66
  64 7.52 75
  65 13.98 140
  66 6.22 62
  67 3.9 39
  68 2.36 24
  69 2.36 24
  71 1.36 14
  73 2.6 26
  74 2.42 24
  75 2.54 25
  76 3.96 40
  77 56.81 568
  78 22.92 229
  79 26 260
  80 8.23 82
  81 1.77 18
  83 1.3 13
  87 1 10
  89 5.15 52
  90 3.37 34
  91 42.71 427
  92 11.61 116
  93 20.97 210
  94 5.98 60
  95 1 10
  97 1 10
  102 2.31 23
  103 12.67 127
  104 9.12 91
  105 10.24 102
  106 98.93 989
  107 11.55 116
  108 3.19 32
  116 1.24 12
  117 2.9 29
  118 13.32 133
  119 11.84 118
  120 75.29 753
  121 99.99 999
  122 10.95 110
//