ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010713
RECORD_TITLE: 1,2,3-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

CH$NAME: 1,2,3-TRIMETHOXYBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂O₃
CH$EXACT_MASS: 168.07864
CH$SMILES: COc(c1)c(OC)c(OC)cc1
CH$IUPAC: InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3
CH$LINK: INCHIKEY CRUILBNAQILVHZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060899

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0gb9-1900000000-7b940fb9c589a1b99aef
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  39 1.43 14
  65 4.8 48
  67 1.54 15
  77 3.56 36
  82 2.1 21
  92 1.03 10
  93 12.67 127
  94 1.12 11
  95 12.51 125
  107 2.23 22
  108 3.79 38
  110 22.13 221
  111 1.58 16
  122 1 10
  125 25.42 254
  126 2.04 20
  137 1 10
  138 2.73 27
  152 1.38 14
  153 52.23 522
  154 4.86 49
  168 99.99 999
  169 9.93 99
  170 1.07 11
//