ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001144
RECORD_TITLE: META-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$NAME: META-CRESOL DEUTEROMETHYL ETHER
CH$NAME: (2H3)METHYL META-TOLYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O
CH$EXACT_MASS: 122.07316
CH$SMILES: [2H]C([2H])([2H])Oc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C8H10O/c1-7-4-3-5-8(6-7)9-2/h3-6H,1-2H3/i2D3
CH$LINK: INCHIKEY OSIGJGFTADMDOB-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$SPLASH: splash10-004i-9200000000-619dbf910b1052c8b0b3
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  15 4.2 42
  16 13.2 132
  17 15.4 154
  26 4.8 48
  27 16.4 164
  28 9 90
  29 9.5 95
  30 5.8 58
  31 3.2 32
  32 3.7 37
  37 7.4 74
  38 16.9 169
  39 46.6 466
  40 6.9 69
  41 18.5 185
  42 5.3 53
  43 10.6 106
  44 3.2 32
  45 3.2 32
  46 3.2 32
  47 3.2 32
  48 3.2 32
  49 5.3 53
  50 30.2 302
  51 46.6 466
  52 29.1 291
  53 23.8 238
  54 4.8 48
  55 11.6 116
  56 4.8 48
  57 6.9 69
  58 3.7 37
  59 2.6 26
  60 2.6 26
  61 7.9 79
  62 15.9 159
  63 31.4 314
  64 12.2 122
  65 23.8 238
  66 9 90
  67 7.4 74
  68 4.2 42
  69 8.5 85
  70 3.7 37
  71 4.8 48
  73 4.2 42
  74 9.5 95
  75 6.9 69
  76 6.9 69
  77 99.99 999
  78 44.5 445
  79 71.5 715
  80 13.2 132
  81 10 100
  82 6.9 69
  83 6.4 64
  84 2.6 26
  85 4.2 42
  86 4.7 47
  87 4.2 42
  89 10.6 106
  90 10.6 106
  91 43.9 439
  92 44.4 444
  93 25.4 254
  94 7.9 79
  95 8.5 85
  96 4.8 48
  97 4.8 48
  98 2.6 26
  105 6.4 64
  106 26 260
  107 40.8 408
  108 28.6 286
  109 8.5 85
  110 3.7 37
  111 3.2 32
  115 4.2 42
  121 6.4 64
  122 12.7 127
  123 23.8 238
  124 46.6 466
  125 47.6 476
  126 5.8 58
  127 3.2 32
//