MassBank Record: JP003508



 O,O-DIMETHYL S-(METHOXYCARBONYL)METHYL PHOSPHORODITHIOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003508
RECORD_TITLE: O,O-DIMETHYL S-(METHOXYCARBONYL)METHYL PHOSPHORODITHIOATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: O,O-DIMETHYL S-(METHOXYCARBONYL)METHYL PHOSPHORODITHIOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H11O4PS2 CH$EXACT_MASS: 229.98364 CH$SMILES: COC(=O)CSP(=S)(OC)OC CH$IUPAC: InChI=1S/C5H11O4PS2/c1-7-5(6)4-12-10(11,8-2)9-3/h4H2,1-3H3 CH$LINK: INCHIKEY PLZVCZLWZIJPPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20997120
AC$INSTRUMENT: HITACHI M-60 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-004l-5920000000-218524b883990a4bdb11 PK$NUM_PEAK: 60 PK$PEAK: m/z int. rel.int. 39 0.16 2 40 0.37 4 44 6.28 63 46 6.78 68 55 0.64 6 58 0.6 6 59 1.54 15 61 0.55 6 62 2.84 28 63 5.17 52 74 6.1 61 79 9.42 94 88 4.43 44 89 1.22 12 90 0.75 8 93 86.66 867 94 2.97 30 95 2.47 25 96 0.25 3 102 0.69 7 103 0.2 2 106 0.78 8 109 0.91 9 110 0.39 4 111 0.56 6 120 0.56 6 124 0.77 8 125 99.99 999 126 12.78 128 127 5.86 59 128 0.72 7 134 1.97 20 139 0.47 5 141 0.33 3 142 0.85 9 143 1.15 12 155 0.56 6 156 0.97 10 157 10.93 109 158 1.9 19 159 0.78 8 167 2.14 21 168 0.79 8 170 10.15 102 171 6.75 68 172 1.37 14 173 0.7 7 174 1.77 18 183 0.36 4 187 0.23 2 188 0.39 4 197 1.97 20 198 54.72 547 199 8.42 84 200 5.51 55 201 0.64 6 230 43.58 436 231 3.81 38 232 4.64 46 233 0.22 2 //

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