ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006701
RECORD_TITLE: 3,4,5-TRIMETHOXY-2-METHYLSULFONYLMETHYLBENZYL METHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 3,4,5-TRIMETHOXY-2-METHYLSULFONYLMETHYLBENZYL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H20O6S
CH$EXACT_MASS: 304.09806
CH$SMILES: COCc(c1)c(CS(C)(=O)=O)c(OC)c(OC)c(OC)1
CH$IUPAC: InChI=1S/C13H20O6S/c1-16-7-9-6-11(17-2)13(19-4)12(18-3)10(9)8-20(5,14)15/h6H,7-8H2,1-5H3
CH$LINK: INCHIKEY NRHCYHKESJWYNW-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0002-1910000000-e4192428f3c56374649d
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  39 1.8 18
  45 5.5 55
  51 1.8 18
  57 0.19 2
  65 2.8 28
  77 3.4 34
  78 1.7 17
  79 0.28 3
  90 2 20
  91 3.9 39
  98 3.8 38
  105 0.53 5
  107 3.3 33
  120 2.6 26
  121 2.1 21
  134 0.16 2
  135 2.4 24
  136 1.7 17
  137 2.5 25
  149 0.38 4
  150 5.7 57
  151 5 50
  152 1.9 19
  165 0.34 3
  166 1.5 15
  167 2.6 26
  179 6.7 67
  180 1.37 14
  181 3.7 37
  194 3.8 38
  195 99.99 999
  196 1.24 12
  209 3.8 38
  210 2.8 28
  224 5.9 59
  225 4.87 49
  226 6.6 66
  304 2.3 23
  305 0.4 4
//
