MassBank Record: MSJ01060



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

ACCESSION: MSJ01060
RECORD_TITLE: Acrinathrin; GC-EI-Q; MS
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
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$CHROMATOGRAPHY: RETENTION_TIME 19.2 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 541.13
PK$SPLASH: splash10-0036-9531000000-2cb81979baa9ae98abc8 PK$NUM_PEAK: 176 PK$PEAK: m/z int. rel.int. 40 344 344 41 126 126 45 21 21 48 60 60 49 22 22 50 96 96 51 191 191 52 205 205 53 270 270 54 136 136 55 51 51 56 50 50 57 40 40 59 28 28 63 193 193 65 128 128 67 123 123 69 258 258 70 213 213 77 552 552 78 110 110 79 389 389 81 45 45 83 393 393 89 13 13 91 187 187 92 76 76 93 999 999 95 90 90 97 22 22 99 96 96 100 90 90 102 135 135 104 27 27 105 46 46 107 137 137 110 20 20 113 6 6 114 33 33 115 41 41 117 34 34 120 97 97 121 143 143 122 103 103 124 53 53 125 37 37 128 27 27 129 18 18 132 60 60 134 110 110 137 15 15 139 92 92 140 104 104 141 300 300 142 49 49 143 5 5 144 84 84 148 40 40 149 23 23 151 33 33 153 50 50 154 51 51 160 26 26 164 23 23 165 122 122 167 29 29 168 11 11 169 115 115 170 32 32 172 7 7 174 35 35 180 168 168 181 631 631 182 92 92 183 114 114 187 14 14 197 28 28 198 55 55 199 13 13 200 57 57 201 11 11 203 39 39 205 11 11 208 125 125 209 181 181 210 155 155 211 38 38 212 8 8 215 47 47 223 11 11 225 56 56 228 20 20 231 13 13 234 11 11 236 17 17 237 31 31 243 14 14 245 19 19 246 7 7 247 257 257 248 21 21 250 7 7 252 16 16 258 7 7 259 25 25 261 105 105 262 26 26 263 24 24 272 6 6 275 10 10 277 39 39 279 21 21 288 54 54 289 449 449 290 49 49 291 12 12 304 22 22 305 24 24 306 16 16 307 9 9 310 15 15 312 47 47 315 109 109 323 22 22 325 9 9 326 5 5 327 54 54 328 13 13 333 13 13 335 7 7 348 18 18 350 17 17 360 11 11 361 5 5 362 20 20 364 9 9 365 11 11 366 25 25 367 14 14 369 27 27 375 5 5 377 22 22 381 35 35 384 6 6 385 23 23 391 7 7 394 10 10 395 5 5 398 6 6 399 10 10 400 35 35 401 19 19 404 26 26 406 48 48 409 10 10 414 10 10 416 11 11 418 10 10 422 7 7 427 7 7 432 8 8 434 23 23 440 17 17 441 59 59 443 19 19 444 32 32 447 43 43 448 19 19 454 20 20 461 13 13 462 5 5 464 11 11 466 15 15 476 32 32 479 15 15 487 7 7 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)