MassBank Record: MSJ01088



 Isoxaflutole; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01088
RECORD_TITLE: Isoxaflutole; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (2016.12.28)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Isoxaflutole CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C15H12F3NO4S CH$EXACT_MASS: 359.04391 CH$SMILES: FC(F)(F)c(c3)cc(S(C)(=O)=O)c(c3)C(=O)c(c2)c(on2)C(C1)C1 CH$IUPAC: InChI=1S/C15H12F3NO4S/c1-24(21,22)12-6-9(15(16,17)18)4-5-10(12)13(20)11-7-19-23-14(11)8-2-3-8/h4-8H,2-3H2,1H3 CH$LINK: INCHIKEY OYIKARCXOQLFHF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:84098 CH$LINK: COMPTOX DTXSID5034723
AC$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 10.9 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 359.0
PK$SPLASH: splash10-0h00-4890000000-16de1b16d662eeb3671d PK$NUM_PEAK: 130 PK$PEAK: m/z int. rel.int. 40 15 8 41 103 55 43 30 16 44 85 45 50 59 31 51 32 17 52 42 22 53 57 30 54 9 5 55 51 27 57 16 9 58 9 5 59 12 6 61 44 23 62 73 39 63 553 294 64 131 70 65 72 38 66 24 13 67 9 5 69 52 28 71 20 11 72 9 5 73 36 19 74 37 20 75 179 95 76 57 30 77 47 25 79 21 11 80 11 6 81 42 22 82 24 13 83 27 14 86 15 8 88 61 32 89 11 6 90 95 51 91 130 69 92 16 9 93 20 11 94 46 24 98 19 10 99 51 27 102 27 14 105 17 9 106 11 6 107 35 19 108 9 5 110 49 26 112 103 55 113 77 41 114 24 13 115 32 17 117 14 7 118 37 20 124 20 11 125 30 16 126 19 10 127 40 21 131 25 13 132 506 269 133 77 41 141 232 124 143 37 20 144 87 46 145 16 9 146 26 14 153 9 5 154 52 28 155 39 21 159 42 22 160 999 532 161 142 76 162 24 13 165 9 5 167 9 5 169 25 13 170 22 12 172 24 13 173 21 11 174 11 6 176 22 12 177 10 5 182 35 19 183 26 14 184 10 5 186 9 5 188 372 198 189 526 280 190 47 25 194 16 9 195 21 11 196 57 30 199 16 9 202 29 15 204 11 6 205 15 8 208 16 9 210 17 9 211 14 7 212 9 5 216 14 7 222 16 9 223 75 40 224 82 44 230 11 6 231 12 6 232 27 14 233 16 9 237 7 4 238 9 5 239 42 22 242 16 9 243 11 6 250 30 16 251 152 81 252 539 287 253 554 295 254 76 40 258 21 11 259 47 25 260 153 81 261 52 28 262 83 44 264 40 21 278 260 138 279 1876 999 280 305 162 340 9 5 459 9 5 //

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