ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009598
RECORD_TITLE: ETHYL 3-METHYLSULFONYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 3-METHYLSULFONYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₄S
CH$EXACT_MASS: 228.04563
CH$SMILES: CCOC(=O)c(c1)cc(cc1)S(C)(=O)=O
CH$IUPAC: InChI=1S/C10H12O4S/c1-3-14-10(11)8-5-4-6-9(7-8)15(2,12)13/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY XCBPURUOABFDDU-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$SPLASH: splash10-004i-9400000000-6eab5b81cfd6f40501da
PK$NUM_PEAK: 97
PK$PEAK: m/z int. rel.int.
  26 6.5 65
  27 38.7 387
  29 53.4 534
  30 0.47 5
  31 2.8 28
  38 3 30
  39 12.2 122
  41 0.18 2
  42 1.3 13
  43 8 80
  44 11.6 116
  45 1.28 13
  46 1 10
  47 3 30
  48 3.3 33
  49 0.1 1
  50 55.1 551
  51 16.8 168
  52 3.8 38
  53 0.57 6
  55 2.8 28
  62 2.7 27
  63 17 170
  64 1.26 13
  65 52.2 522
  66 3.9 39
  69 3.8 38
  70 0.36 4
  73 1.7 17
  74 18.4 184
  75 40 400
  76 99.99 999
  77 27.3 273
  78 7.9 79
  79 16.3 163
  80 0.3 3
  81 7 70
  82 1.4 14
  84 2 20
  85 0.1 1
  89 2.8 28
  90 3 30
  91 5.8 58
  92 1.11 11
  93 9.7 97
  94 1.4 14
  95 4.1 41
  96 0.43 4
  97 2.7 27
  99 1 10
  103 14.8 148
  104 2.13 21
  105 8.5 85
  106 2.8 28
  107 4.8 48
  108 0.37 4
  109 7.4 74
  110 2.9 29
  111 4.8 48
  112 0.1 1
  113 1.8 18
  119 1.8 18
  120 2.9 29
  121 4.03 40
  122 4.3 43
  123 3.5 35
  124 3.2 32
  125 0.11 1
  131 1.4 14
  135 1.7 17
  137 2.7 27
  138 3.46 35
  139 8.7 87
  140 1.6 16
  141 2.8 28
  148 0.57 6
  149 36.4 364
  150 3.8 38
  151 1.7 17
  152 0.34 3
  153 1.9 19
  155 11.4 114
  156 22.7 227
  157 0.25 3
  158 1.5 15
  169 6.5 65
  183 85.3 853
  184 2.83 28
  185 16 160
  186 2.7 27
  197 2.7 27
  200 1.5 15
  201 4.8 48
  202 1.2 12
  213 1.8 18
  228 1.32 13
  229 2.2 22
//