ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011139
RECORD_TITLE: 4-METHYLSULFINYLBENZYL 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$NAME: 4-METHYLSULFINYLBENZYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₄O₃S
CH$EXACT_MASS: 274.06637
CH$SMILES: CS(=O)c(c1)ccc(COC(=O)c(c2)cccc2)c1
CH$IUPAC: InChI=1S/C15H14O3S/c1-19(17)14-9-7-12(8-10-14)11-18-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
CH$LINK: INCHIKEY HKUADHPETBQPPU-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$SPLASH: splash10-0a4i-5940000000-5df4604bef638982102c
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  29 4.3 43
  39 2.5 25
  40 7.9 79
  43 1.4 14
  44 11.7 117
  45 1.9 19
  50 2.6 26
  51 8 80
  52 1.1 11
  57 1.4 14
  60 2.2 22
  61 1 10
  63 2.9 29
  65 1.7 17
  73 1.5 15
  74 1.7 17
  76 1.5 15
  77 28.8 288
  78 5.8 58
  79 1 10
  89 8.2 82
  90 4.7 47
  91 2.6 26
  105 99.99 999
  106 8.8 88
  107 7.1 71
  109 17.4 174
  110 2.1 21
  111 1 10
  121 2.5 25
  122 5.1 51
  123 1.3 13
  135 2.5 25
  136 1.3 13
  137 9.2 92
  138 4.5 45
  139 1.5 15
  152 1.9 19
  153 5 50
  154 1.1 11
  227 2.8 28
  258 6.1 61
  259 20.2 202
  260 3.5 35
  261 1.1 11
  274 39.9 399
  275 6.8 68
  276 2.5 25
//