ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006697
RECORD_TITLE: 2-METHYLSULFONYLMETHYL-3,4,5-TRIHYDROXYBENZYL 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$NAME: 2-METHYLSULFONYLMETHYL-3,4,5-TRIHYDROXYBENZYL METHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O6S
CH$EXACT_MASS: 262.05111
CH$SMILES: COCc(c1)c(CS(C)(=O)=O)c(O)c(O)c(O)1
CH$IUPAC: InChI=1S/C10H14O6S/c1-16-4-6-3-8(11)10(13)9(12)7(6)5-17(2,14)15/h3,11-13H,4-5H2,1-2H3
CH$LINK: INCHIKEY XUKVXIFSYPSVIJ-UHFFFAOYSA-N
AC$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: splash10-0159-9500000000-ff8ffe0b2cdfa8a4dd7e
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  52 5.5 55
  53 3.1 31
  54 5 50
  56 0.5 5
  62 1.8 18
  63 37.5 375
  64 4.1 41
  65 99.99 999
  66 5 50
  67 5.5 55
  69 1.8 18
  77 0.4 4
  78 2 20
  79 4 40
  80 38 380
  81 0.31 3
  82 2.8 28
  83 1.5 15
  93 2.5 25
  94 0.35 4
  95 6 60
  106 2 20
  107 2.8 28
  111 0.45 5
  120 1.5 15
  121 2 20
  122 4 40
  123 1.1 11
  124 1 10
  125 1.5 15
  136 1.3 13
  137 1.85 19
  138 3.5 35
  139 5.2 52
  140 2 20
  147 0.17 2
  149 1.5 15
  151 1.5 15
  152 1.5 15
  153 0.51 5
  154 1 10
  164 4.2 42
  165 29 290
  166 0.52 5
  167 3.9 39
  168 4.1 41
  181 2.5 25
  182 0.81 8
  183 54.5 545
  184 5.2 52
  190 1.1 11
  192 0.11 1
  262 5.8 58
  263 0.9 9
//
