ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010744
RECORD_TITLE: CHLORPYRIFOS; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: CHLORPYRIFOS
CH$NAME: O,O-DIETHYL O-3,5,6-TRICHLORO-2-PYRIDYL PHOSPHOROTHIOATE
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0002-2794000000-df67df73c4dd26908db1
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  29 5.63 56
  45 2.5 25
  57 1.25 13
  65 5.71 57
  81 3.44 34
  91 1.04 10
  93 5.47 55
  97 68.69 687
  98 1.34 13
  99 3.47 35
  107 1.04 10
  109 15.09 151
  114 4.17 42
  115 1.32 13
  121 4.32 43
  125 33.61 336
  126 1.19 12
  127 1.45 15
  134 1.78 18
  136 1.25 13
  137 1.68 17
  141 1.25 13
  142 4.99 50
  149 1.27 13
  153 6.69 67
  161 1.4 14
  162 1.4 14
  163 1.14 11
  164 1.24 12
  169 7.46 75
  171 7.09 71
  173 2.12 21
  178 1.15 12
  180 1.16 12
  182 1.03 10
  190 1.03 10
  194 1.06 11
  197 99.99 999
  198 11.45 115
  199 93.85 939
  200 10.4 104
  201 30.84 308
  202 3.31 33
  203 3.51 35
  207 5.64 56
  208 33.61 336
  209 9.58 96
  210 32.64 326
  211 5.55 56
  212 11.23 112
  213 20.21 202
  214 3.06 31
  215 19.66 197
  216 1.58 16
  217 6.83 68
  224 1.61 16
  225 1.17 12
  226 1.63 16
  241 1.81 18
  243 1.72 17
  244 7.49 75
  246 6.62 66
  248 2.17 22
  257 1.73 17
  258 32.84 328
  259 3.85 39
  260 23.56 236
  261 2.28 23
  262 5.51 55
  276 4.75 48
  278 4.68 47
  280 1.75 18
  285 1.95 20
  286 28.56 286
  287 3.95 40
  288 23.07 231
  289 2.18 22
  290 7.36 74
  292 1.72 17
  304 3.08 31
  306 3.21 32
  308 1.15 12
  314 74.47 745
  315 9.34 93
  316 53.5 535
  317 5.97 60
  318 12.36 124
  319 1.42 14
  320 1.23 12
  349 6.26 63
  350 1.1 11
  351 6.41 64
  352 1.17 12
  353 2.61 26
//