ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010485
RECORD_TITLE: 1,3-DIMETHOXYBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: 1,3-DIMETHOXYBENZENE
CH$NAME: META-DIMETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₀O₂
CH$EXACT_MASS: 138.06808
CH$SMILES: COc(c1)cc(OC)cc1
CH$IUPAC: InChI=1S/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
CH$LINK: INCHIKEY DPZNOMCNRMUKPS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047060

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-00kr-9200000000-f5988efb5ee8f220bd52
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  15 31.27 313
  26 5.22 52
  27 4.9 49
  29 12.31 123
  30 2.34 23
  31 1.38 14
  37 5.53 55
  38 19.54 195
  39 30.75 308
  40 2.22 22
  41 34.76 348
  42 2.18 22
  43 1.72 17
  49 1.88 19
  50 18.92 189
  51 24.7 247
  52 42.21 422
  53 10.27 103
  54 2.87 29
  55 2.76 28
  61 4.88 49
  62 13.12 131
  63 39.97 400
  64 27.3 273
  65 43.12 431
  66 6.13 61
  67 8.21 82
  69 7.19 72
  73 1.22 12
  74 5.53 55
  75 3.08 31
  76 3.26 33
  77 17.54 175
  78 39.8 398
  79 19.12 191
  80 18.27 183
  81 1.97 20
  92 15.86 159
  93 11.38 114
  94 5.64 56
  95 62.65 627
  96 4.32 43
  105 1.34 13
  107 7.63 76
  108 18.63 186
  109 33.04 330
  110 2.66 27
  122 1.34 13
  123 1.3 13
  137 2.85 29
  138 99.99 999
  139 9.14 91
//