MassBank Record: JP009632



 ETHYL 4-METHYLSULFONYLBENZOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009632
RECORD_TITLE: ETHYL 4-METHYLSULFONYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 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 //

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