MassBank Record: MSJ01061



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

ACCESSION: MSJ01061
RECORD_TITLE: Acrinathrin; 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
COMMENT: A diostereomer of Acrinathrin

CH$NAME: Acrinathrin CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C26H21F6NO5 CH$EXACT_MASS: 541.13239 CH$SMILES: CC1(C)C(C1/C=C/C(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)O[C@H](C#N)c3cccc(Oc2ccccc2)c3 CH$IUPAC: InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11+/t18?,19-,21?/m1/s1 CH$LINK: INCHIKEY YLFSVIMMRPNPFK-PYWOBYHFSA-N CH$LINK: PUBCHEM CID:134781635
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$CHROMATOGRAPHY: RETENTION_TIME 19.6 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 541.13
PK$SPLASH: splash10-0kwo-9640000000-2972a0e921214c477fe4 PK$NUM_PEAK: 118 PK$PEAK: m/z int. rel.int. 40 110 278 41 118 298 42 48 121 43 36 91 47 15 38 48 15 38 49 31 78 51 262 663 52 58 147 53 102 258 55 96 243 56 11 28 59 35 89 63 69 175 64 16 40 65 81 205 67 29 73 68 65 164 69 219 554 71 45 114 74 12 30 76 25 63 78 81 205 79 277 701 80 78 197 82 58 147 83 278 703 88 24 61 90 28 71 91 179 453 92 63 159 94 102 258 95 51 129 96 11 28 99 96 243 101 12 30 102 11 28 105 18 46 107 13 33 108 21 53 110 25 63 111 11 28 112 11 28 114 46 116 115 86 218 116 94 238 119 11 28 120 86 218 121 145 367 123 60 152 124 6 15 125 60 152 127 27 68 128 19 48 129 53 134 133 10 25 137 82 207 138 30 76 141 253 640 142 27 68 148 40 101 151 17 43 152 116 293 153 86 218 164 22 56 165 59 149 166 28 71 169 86 218 178 25 63 180 148 374 182 137 346 190 19 48 195 32 81 198 62 157 206 31 78 208 395 999 210 152 384 234 47 119 245 10 25 249 6 15 250 23 58 252 17 43 259 14 35 260 7 18 261 88 223 265 8 20 273 12 30 276 6 15 282 5 13 288 35 89 289 319 807 291 19 48 295 17 43 296 25 63 299 27 68 300 12 30 307 7 18 315 70 177 316 15 38 318 16 40 324 8 20 327 36 91 333 13 33 345 5 13 355 11 28 358 10 25 373 8 20 375 5 13 376 8 20 390 19 48 401 6 15 404 16 40 429 9 23 441 29 73 442 25 63 450 11 28 458 5 13 473 9 23 //

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