ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006696
RECORD_TITLE: 6-METHOXYMETHYL-2,3,4-TRIMETHOXYBENZYL METHYL SULFIDE; CI-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$NAME: 6-METHOXYMETHYL-2,3,4-TRIMETHOXYBENZYL METHYL SULFIDE
CH$NAME: 3,4,5-TRIMETHOXY-2-METHYLTHIOMETHYLBENZYLMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₀O₄S
CH$EXACT_MASS: 272.10823
CH$SMILES: COCc(c1)c(CSC)c(OC)c(OC)c(OC)1
CH$IUPAC: InChI=1S/C13H20O4S/c1-14-7-9-6-11(15-2)13(17-4)12(16-3)10(9)8-18-5/h6H,7-8H2,1-5H3
CH$LINK: INCHIKEY GZJAMAMUGPOLDU-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-00di-0090000000-b166fb9017a209cf91e3
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  272 99.99 999
  273 14 140
  298 4.5 45
  303 3 30
//