ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011138
RECORD_TITLE: 4-MESYLBENZYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SAWADA M, THE INST. OF SCIENTIFIC AND INDUSTRIALRESEARCH OSAKA UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-MESYLBENZYL BENZOATE
CH$NAME: 4-METHYLSULFONYLBENZYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₄S
CH$EXACT_MASS: 290.06128
CH$SMILES: O=C(OCc(c2)ccc(c2)S(C)(=O)=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H14O4S/c1-20(17,18)14-9-7-12(8-10-14)11-19-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
CH$LINK: INCHIKEY MGLQGYMIDWSOTL-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0a4i-8910000000-209f67b697e8bff2cb1c
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  27 1.5 15
  29 7 70
  39 2.6 26
  40 13.6 136
  41 1.2 12
  43 2.2 22
  44 22.3 223
  45 1.5 15
  50 3.2 32
  51 8.9 89
  52 1.3 13
  55 1 10
  57 2.1 21
  60 3 30
  61 1.6 16
  63 3.6 36
  64 1.1 11
  65 1.8 18
  71 1.1 11
  73 2.2 22
  74 2.7 27
  75 1.2 12
  76 1.9 19
  77 26.6 266
  78 4.9 49
  79 1.7 17
  89 10.9 109
  90 3.8 38
  91 3.8 38
  105 99.99 999
  106 10.3 103
  107 15.4 154
  108 1.3 13
  122 8.6 86
  123 1.1 11
  155 1.2 12
  167 1.4 14
  170 1.3 13
  185 6.2 62
  193 1.8 18
  245 1.5 15
  290 17.2 172
  291 2.9 29
  292 1.1 11
//