MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011428

1,3,5-TRIMETHOXYBENZENE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011428
RECORD_TITLE: 1,3,5-TRIMETHOXYBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 1,3,5-TRIMETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O₃
CH$EXACT_MASS: 168.07864
CH$SMILES: COc(c1)cc(OC)cc(OC)1
CH$IUPAC: InChI=1S/C9H12O3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
CH$LINK: INCHIKEY LKUDPHPHKOZXCD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0045963

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-014i-0900000000-1ec4b60c1463858d3e54
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  65 1.28 13
  69 1.23 12
  77 1.06 11
  78 4.04 40
  79 2.38 24
  93 1.53 15
  95 3.95 40
  107 1.88 19
  108 4.48 45
  109 8.47 85
  110 2.16 22
  122 1.13 11
  124 3.08 31
  125 7.39 74
  137 2.28 23
  138 5.66 57
  139 46.03 460
  140 4.14 41
  167 9.51 95
  168 99.99 999
  169 10.83 108
  170 1.1 11
//