MassBank Record: MSBNK-MSSJ-MSJ01055
ACCESSION: MSBNK-MSSJ-MSJ01055
RECORD_TITLE: alpha-Chlorfenvinphos; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (Created 2016.12.21)
AUTHORS: Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data
CH$NAME: alpha-Chlorfenvinphos
CH$NAME: (E)- Chlorfenvinphos
CH$COMPOUND_CLASS: Non-Natural Product; Pesticides
CH$FORMULA: C12H14Cl3O4P
CH$EXACT_MASS: 357.96953
CH$SMILES: CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Cl)Cl
CH$IUPAC: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+
CH$LINK: INCHIKEY
FSAVDKDHPDSCTO-XYOKQWHBSA-N
CH$LINK: PUBCHEM
CID:5377791
AC$INSTRUMENT: GCMS-QP2010 Plus, Shimadzu
AC$INSTRUMENT_TYPE: GC-EI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION EI
AC$CHROMATOGRAPHY: COLUMN_NAME Ptx-5MS(RESTEK), 0.32 mm I.D. x 30 m, df=0.25 microm
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 80 C (1 min)-20 C/min - 180 C - 5 C/min - 330C (10 min)
AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 260 C
AC$CHROMATOGRAPHY: RETENTION_TIME 11.33 min
MS$FOCUSED_ION: ION_TYPE [M]+*
MS$FOCUSED_ION: PRECURSOR_M/Z 357.97
PK$SPLASH: splash10-01ba-4893000000-1fb4e519cbf09a4c88c2
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
40 13 13
41 14 14
42 9 9
43 27 27
45 55 55
47 16 16
50 28 28
51 8 8
61 14 14
62 17 17
63 33 33
65 52 52
73 49 49
74 93 93
75 93 93
76 64 64
77 10 10
78 19 19
79 9 9
81 598 598
82 13 13
83 11 11
84 20 20
85 31 31
86 27 27
87 39 39
89 23 23
91 212 212
97 28 28
98 33 33
99 173 173
100 19 19
106 8 8
109 468 468
110 45 45
111 62 62
112 20 20
113 8 8
122 9 9
123 143 143
124 24 24
125 112 112
126 12 12
127 31 31
133 64 64
134 41 41
135 106 106
136 28 28
137 39 39
138 13 13
139 22 22
141 11 11
145 118 118
146 105 105
147 69 69
148 61 61
149 20 20
151 15 15
152 15 15
153 23 23
154 8 8
155 11 11
157 35 35
158 24 24
159 206 206
160 28 28
161 87 87
162 16 16
163 15 15
167 8 8
169 57 57
170 278 278
171 71 71
172 166 166
173 193 193
174 36 36
175 109 109
177 25 25
179 7 7
186 8 8
187 27 27
188 13 13
189 19 19
193 106 106
194 8 8
195 82 82
196 11 11
197 37 37
199 8 8
202 8 8
203 46 46
204 173 173
206 90 90
207 84 84
208 60 60
209 23 23
210 10 10
217 12 12
266 60 60
267 999 999
268 179 179
269 600 600
270 100 100
271 179 179
295 600 600
296 10 10
297 250 250
323 600 600
325 370 370
326 100 100
327 120 120
358 8 8
//