ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006699
RECORD_TITLE: 2-METHYLSULFONYLMETHYL-3,4,5-TRIACETOXYBENZYL 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$NAME: 2-METHYLSULFONYLMETHYL-3,4,5-TRIACETOXYBENZYL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H20O9S
CH$EXACT_MASS: 388.08280
CH$SMILES: COCc(c1)c(CS(C)(=O)=O)c(OC(C)=O)c(OC(C)=O)c(OC(C)=O)1
CH$IUPAC: InChI=1S/C16H20O9S/c1-9(17)23-14-6-12(7-22-4)13(8-26(5,20)21)15(24-10(2)18)16(14)25-11(3)19/h6H,7-8H2,1-5H3
CH$LINK: INCHIKEY CHKJWAVWUXAAQN-UHFFFAOYSA-N
AC$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: splash10-016u-6981000000-fd4607f1a96ac84e6d36
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  43 99.99 999
  44 2.5 25
  65 4 40
  77 0.3 3
  79 2 20
  81 2 20
  93 3 30
  94 0.2 2
  107 3 30
  108 2 20
  122 3.5 35
  123 0.4 4
  137 12 120
  138 2 20
  152 4 40
  153 0.8 8
  165 91.5 915
  166 16 160
  181 11 110
  182 1.9 19
  183 7 70
  201 10 100
  202 19 190
  203 0.7 7
  206 2 20
  207 15 150
  208 3 30
  224 3 30
  225 65.5 655
  226 2 20
  245 2.5 25
  267 3.4 34
  268 5 50
  287 10.5 105
  288 2 20
  307 0.3 3
  308 3.5 35
  346 12 120
  347 1.8 18
  388 3.5 35
//
