ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001146
RECORD_TITLE: PARA-CRESOL DEUTEROMETHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: PARA-CRESOL DEUTEROMETHYL ETHER
CH$NAME: (2H3)METHYL PARA-TOLYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: [2H]C([2H])([2H])Oc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3/i2D3
CH$LINK: INCHIKEY CHLICZRVGGXEOD-BMSJAHLVSA-N

AC$INSTRUMENT: HITACHI RMS-4
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-004i-9100000000-de0304fdf5603ff649b8
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  15 10.7 107
  16 7.6 76
  17 10.7 107
  18 10.7 107
  26 10.7 107
  27 25.9 259
  28 64.1 641
  29 23.3 233
  30 13.8 138
  31 19.8 198
  32 17.6 176
  33 4.6 46
  37 8.4 84
  38 17.6 176
  39 41.2 412
  40 10.7 107
  41 19.8 198
  42 10.7 107
  43 19.8 198
  44 10.7 107
  45 17.6 176
  46 7.6 76
  47 4.6 46
  48 4.6 46
  49 6.9 69
  50 36 360
  51 56.5 565
  52 34.4 344
  53 25.9 259
  54 7.6 76
  55 13 130
  56 10 100
  57 10.7 107
  58 8.4 84
  59 7.6 76
  60 6.1 61
  61 10.7 107
  62 17.6 176
  63 32 320
  64 13.8 138
  65 39 390
  66 10.7 107
  67 9.2 92
  68 6.1 61
  69 9.2 92
  70 6.1 61
  71 7.6 76
  72 6.1 61
  73 12.2 122
  74 13.8 138
  75 11.4 114
  76 10 100
  77 99.99 999
  78 41.2 412
  79 64.1 641
  80 13.8 138
  81 9.2 92
  82 3.3 33
  83 3.8 38
  84 3.3 33
  85 3.8 38
  86 9.2 92
  87 9.2 92
  88 6.9 69
  89 12.2 122
  90 10 100
  91 27.5 275
  92 19.8 198
  93 15.3 153
  94 9.2 92
  95 15.3 153
  96 3.8 38
  97 3.3 33
  98 3.3 33
  99 3.3 33
  100 2.3 23
  101 2.3 23
  102 3.3 33
  103 3.8 38
  104 3.3 33
  105 15.3 153
  106 6.9 69
  107 42.8 428
  108 21.4 214
  109 10 100
  110 10.7 107
  111 9.2 92
  115 3.3 33
  121 9.2 92
  122 17.6 176
  123 35.1 351
  124 44.3 443
  125 26.7 267
  126 2.1 21
//