MassBank Record: MSJ01070



 Azoxystrobin; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01070
RECORD_TITLE: Azoxystrobin; 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$NAME: Azoxystrobin CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C22H17N3O5 CH$EXACT_MASS: 403.11682 CH$SMILES: COC=C(C(=O)OC)c(c3)c(ccc3)Oc(n2)cc(nc2)Oc(c1)c(C#N)ccc1 CH$IUPAC: InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+ CH$LINK: INCHIKEY WFDXOXNFNRHQEC-GHRIWEEISA-N CH$LINK: PUBCHEM CID:3034285
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$CHROMATOGRAPHY: RETENTION_TIME 25.9 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 403.12
PK$SPLASH: splash10-0006-6629000000-21ca8c121fc5f3610f9d PK$NUM_PEAK: 162 PK$PEAK: m/z int. rel.int. 41 10 10 42 17 17 44 239 239 45 27 27 47 79 79 48 9 9 50 23 23 51 70 70 52 25 25 53 11 11 56 13 13 57 23 23 59 32 32 61 8 8 63 34 34 65 15 15 66 9 9 68 25 25 69 53 53 71 17 17 75 348 348 76 87 87 77 100 100 78 15 15 79 25 25 81 5 5 84 7 7 86 9 9 87 9 9 88 84 84 89 84 84 90 55 55 91 58 58 94 11 11 97 14 14 98 7 7 99 16 16 101 102 102 102 102 102 103 137 137 104 46 46 105 58 58 114 20 20 115 19 19 116 97 97 117 15 15 118 25 25 119 43 43 120 16 16 121 17 17 123 7 7 127 5 5 128 65 65 129 74 74 131 25 25 133 65 65 134 23 23 136 9 9 140 16 16 141 28 28 143 25 25 144 49 49 145 83 83 147 15 15 148 9 9 149 9 9 150 9 9 156 42 42 157 9 9 158 8 8 159 11 11 160 7 7 168 6 6 169 6 6 170 18 18 171 45 45 172 145 145 173 21 21 176 56 56 178 5 5 181 9 9 182 9 9 183 22 22 186 22 22 188 11 11 191 143 143 192 16 16 193 7 7 195 26 26 196 16 16 197 15 15 198 9 9 199 10 10 200 23 23 201 15 15 202 7 7 204 17 17 207 21 21 208 32 32 210 13 13 212 6 6 214 13 13 215 11 11 216 12 12 218 14 14 222 8 8 224 5 5 229 56 56 240 7 7 244 5 5 250 8 8 251 27 27 252 9 9 253 17 17 255 33 33 259 8 8 266 11 11 268 7 7 270 5 5 272 18 18 273 42 42 281 46 46 282 38 38 284 6 6 288 7 7 299 11 11 300 61 61 301 64 64 302 9 9 312 7 7 313 7 7 314 62 62 315 7 7 317 5 5 328 40 40 329 110 110 330 27 27 340 7 7 341 12 12 344 999 999 345 310 310 346 50 50 347 17 17 355 35 35 356 42 42 357 11 11 359 23 23 360 61 61 361 5 5 370 6 6 372 145 145 373 19 19 374 8 8 388 261 261 389 74 74 390 13 13 403 88 88 404 26 26 413 9 9 440 7 7 554 5 5 571 18 18 //