ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010326
RECORD_TITLE: ALPHA,ALPHA-DIMETHOXYTOLUENE; 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$NAME: ALPHA,ALPHA-DIMETHOXYTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O₂
CH$EXACT_MASS: 152.08373
CH$SMILES: COC(OC)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
CH$LINK: INCHIKEY HEVMDQBCAHEHDY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5061538

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$SPLASH: splash10-00di-9800000000-d382827cc5fa8b6398b4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 7.56 76
  27 1.22 12
  29 7.4 74
  30 1.91 19
  31 2.34 23
  39 3.32 33
  47 3.04 30
  50 4.64 46
  51 11.58 116
  52 2.86 29
  59 3.32 33
  62 1.01 10
  63 2.56 26
  65 2.19 22
  74 1.95 20
  75 11.99 120
  76 1.49 15
  77 33.81 338
  78 5.46 55
  89 2.27 23
  90 1.17 12
  91 14.77 148
  92 1.5 15
  93 1.21 12
  105 11.92 119
  106 1.7 17
  121 99.99 999
  122 9.18 92
  151 1.15 12
  152 3.34 33
//