MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003508
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
//
system version 2.2.6-SNAPSHOT