MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007536
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007536
RECORD_TITLE: O-ETHYL S,S-DIPHENYL PHOSPHORODITHIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: O-ETHYL S,S-DIPHENYL PHOSPHORODITHIOATE
CH$NAME: EDIFENPHOS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H15O2PS2
CH$EXACT_MASS: 310.02511
CH$SMILES: CCOP(=O)(Sc(c2)cccc2)Sc(c1)cccc1
CH$IUPAC: InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
CH$LINK: CAS
17109-49-8
CH$LINK: INCHIKEY
AWZOLILCOUMRDG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7041910
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-02t9-9831000000-97556cafe393a91f33cc
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
45 22.4 224
47 12.3 123
50 7.1 71
51 3.39 34
58 4.6 46
59 4.3 43
62 2.7 27
63 0.65 7
64 2.7 27
65 99.99 999
66 29.3 293
67 0.27 3
69 36.4 364
70 3 30
71 3 30
74 0.35 4
75 3.5 35
76 3.2 32
77 32 320
78 0.49 5
82 10.4 104
83 4.9 49
84 7.6 76
94 0.49 5
96 3.5 35
97 3.5 35
105 2.7 27
108 2.79 28
109 20.8 208
110 89 890
111 33.9 339
112 0.6 6
123 6.5 65
125 2.7 27
137 3.2 32
138 0.71 7
139 4.6 46
140 3 30
141 8.2 82
153 0.32 3
154 9.3 93
155 9.8 98
156 3 30
157 0.27 3
169 3.8 38
172 4.3 43
173 7.9 79
174 2.35 24
175 16.9 169
183 4.1 41
184 10.4 104
185 1.26 13
186 30.9 309
187 5.2 52
189 4.1 41
201 6.38 64
202 17.5 175
203 9 90
207 4.9 49
217 0.54 5
218 44.9 449
219 7.6 76
220 5.7 57
265 0.54 5
281 3 30
282 2.7 27
310 41.3 413
311 3.36 34
312 18.6 186
313 3.2 32
//
system version 2.2.6-SNAPSHOT