MassBank Record: MSJ01055



 alpha-Chlorfenvinphos; GC-EI-Q; MS; Positive 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ01055
RECORD_TITLE: alpha-Chlorfenvinphos; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (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 //

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