ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009664
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$SPLASH: splash10-008j-3910000000-2aba0b312f0d106d0e60
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  26 1.3 13
  27 7.9 79
  29 13.3 133
  39 0.41 4
  43 1.3 13
  44 4.2 42
  45 10.8 108
  47 0.1 1
  50 16.9 169
  51 5 50
  52 1 10
  53 0.18 2
  63 4.6 46
  64 3.3 33
  65 17.1 171
  66 0.12 1
  70 1 10
  74 5 50
  75 11.8 118
  76 2.68 27
  77 7.3 73
  78 2.2 22
  79 3.7 37
  81 0.22 2
  91 1.3 13
  92 3.2 32
  93 6.2 62
  103 1.68 17
  104 16.5 165
  105 3.6 36
  107 1.3 13
  109 0.45 5
  120 4 40
  121 50.1 501
  122 4.7 47
  124 0.14 1
  131 1 10
  137 2.7 27
  138 50.1 501
  139 0.39 4
  148 21 210
  149 49.7 497
  150 5 50
  151 0.11 1
  152 1.7 17
  155 2.1 21
  156 12.3 123
  157 0.11 1
  165 1 10
  169 2.3 23
  183 99.99 999
  184 2 20
  185 15.8 158
  186 1.8 18
  197 1.6 16
  200 3.08 31
  201 4.9 49
  202 1.8 18
  213 7.2 72
  227 0.14 1
  228 34 340
  229 4.9 49
  230 2.1 21
//