MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010744
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
//