ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010431
RECORD_TITLE: PHOSPHOROTHIOIC ACID O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL) ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: PHOSPHOROTHIOIC ACID O,O-DIETHYL O-(3,5,6-TRICHLORO-2-PYRIDINYL) ESTER
CH$NAME: CHLOROPYRIFOS
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁Cl₃NO₃PS
CH$EXACT_MASS: 348.92628
CH$SMILES: CCOP(=S)(OCC)Oc(n1)c(Cl)cc(Cl)c(Cl)1
CH$IUPAC: InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
CH$LINK: INCHIKEY SBPBAQFWLVIOKP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4020458

AC$INSTRUMENT: JEOL JMS-DX-303
AC$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$SPLASH: splash10-0002-2793000000-24fe8c73aae05cb109a6
PK$NUM_PEAK: 138
PK$PEAK: m/z int. rel.int.
  43 2.19 22
  44 1.11 11
  45 3.05 31
  47 5.29 53
  60 1.15 12
  63 4.19 42
  65 14.19 142
  72 1.99 20
  75 1.08 11
  79 1.76 18
  80 2.43 24
  81 4.77 48
  91 1.73 17
  93 8.03 80
  96 2.03 20
  97 75.85 759
  98 10.34 103
  99 3.84 38
  100 3.96 40
  107 8.18 82
  108 1.86 19
  109 13.29 133
  110 2.83 28
  111 1.37 14
  114 3.4 34
  115 1.26 13
  121 5.66 57
  125 28.25 283
  126 1.04 10
  127 1.68 17
  130 1.19 12
  133 4.83 48
  134 4.87 49
  135 3.47 35
  136 3.49 35
  137 1.65 17
  141 1.14 11
  142 3.88 39
  144 4.32 43
  145 1.63 16
  146 2.51 25
  153 5.54 55
  161 5.34 53
  162 3.69 37
  163 3.86 39
  164 2.57 26
  165 1.26 13
  166 1.34 13
  168 7.08 71
  169 10.62 106
  170 6.43 64
  171 10.48 105
  172 3.58 36
  173 3.04 30
  178 2.07 21
  180 7.94 79
  181 1.51 15
  182 7.51 75
  184 2.29 23
  190 1.12 11
  194 1.76 18
  196 1.54 15
  197 99.99 999
  198 12.19 122
  199 96.16 962
  200 10.79 108
  201 32.69 327
  202 5.73 57
  203 3.91 39
  207 5.12 51
  208 28.39 284
  209 9.4 94
  210 28.59 286
  211 4.34 43
  212 12.06 121
  213 20.57 206
  214 5.74 57
  215 19.51 195
  216 2.26 23
  217 6.94 69
  219 1.07 11
  224 1.96 20
  225 1.42 14
  226 1.69 17
  228 1.87 19
  230 1.25 13
  240 1.29 13
  241 1.74 17
  242 1.73 17
  243 2.15 22
  244 11.16 112
  245 2.09 21
  246 9.37 94
  248 3.12 31
  257 4.97 50
  258 41.03 410
  259 5.69 57
  260 31 310
  261 2.99 30
  262 7.28 73
  263 1.07 11
  264 1.34 13
  270 1.27 13
  272 1.6 16
  274 1.49 15
  276 8.58 86
  277 1.65 17
  278 10.86 109
  279 1.51 15
  280 3.58 36
  285 1.64 16
  286 35.97 360
  287 4.49 45
  288 29.7 297
  289 3.01 30
  290 9.11 91
  291 1.1 11
  292 5.29 53
  294 4.71 47
  296 2.53 25
  298 1.28 13
  300 1.51 15
  304 4.61 46
  306 4.42 44
  308 2.32 23
  313 1.47 15
  314 77.14 771
  315 9.62 96
  316 58.45 585
  317 6.73 67
  318 14.9 149
  319 1.51 15
  320 1.71 17
  349 7.87 79
  350 1.15 12
  351 7.28 73
  352 1.07 11
  353 3.39 34
//