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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-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)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003508
RECORD_TITLE: O,O-DIMETHYL S-(METHOXYCARBONYL)METHYL PHOSPHORODITHIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 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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