ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009632
RECORD_TITLE: ETHYL 4-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$NAME: ETHYL 4-METHYLSULFONYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₄S
CH$EXACT_MASS: 228.04563
CH$SMILES: CCOC(=O)c(c1)ccc(c1)S(C)(=O)=O
CH$IUPAC: InChI=1S/C10H12O4S/c1-3-14-10(11)8-4-6-9(7-5-8)15(2,12)13/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY ADTIKXSMRDSYSK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60284501

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$SPLASH: splash10-001i-3910000000-e3b5a79897760e7035ca
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
  26 1.7 17
  27 5.9 59
  29 11.8 118
  30 0.12 1
  31 1.4 14
  39 2.9 29
  40 1.7 17
  43 0.18 2
  44 7.6 76
  45 9.4 94
  47 1.1 11
  48 0.2 2
  50 8.7 87
  51 4.8 48
  53 1.4 14
  63 0.36 4
  64 4.8 48
  65 15.1 151
  66 1.3 13
  74 0.18 2
  75 8.5 85
  76 21.7 217
  77 9.5 95
  78 0.26 3
  79 3.4 34
  80 1 10
  81 1.9 19
  90 0.12 1
  91 1.7 17
  92 2.8 28
  93 5.2 52
  94 0.1 1
  103 14 140
  104 17 170
  105 7.7 77
  106 0.1 1
  107 1.2 12
  108 1.1 11
  109 4.9 49
  110 0.1 1
  120 3.7 37
  121 37.3 373
  122 5.6 56
  123 0.11 1
  124 1.3 13
  137 3.8 38
  138 39 390
  139 0.31 3
  141 1 10
  148 14 140
  149 41.4 414
  150 0.53 5
  151 3.8 38
  152 2.7 27
  155 1.8 18
  156 1.3 13
  157 1.2 12
  165 1.2 12
  168 1.1 11
  169 0.28 3
  183 99.99 999
  184 20.9 209
  185 15.9 159
  186 0.18 2
  196 2.4 24
  197 3.4 34
  200 30.6 306
  201 0.5 5
  202 1.9 19
  213 7.1 71
  227 1.4 14
  228 3.9 39
  229 4.8 48
  230 2.6 26
//