MassBank Record: MSJ01083



 Allethrin 1; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01083
RECORD_TITLE: Allethrin 1; 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$NAME: Allethrin 1 CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C19H26O3 CH$EXACT_MASS: 302.18819 CH$SMILES: C=CCC(C(=O)2)=C(C)C(C2)OC(=O)C(C(C=C(C)C)1)C(C)(C)1 CH$IUPAC: InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3 CH$LINK: INCHIKEY ZCVAOQKBXKSDMS-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:11442
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$CHROMATOGRAPHY: RETENTION_TIME 11.6 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 302.2
PK$SPLASH: splash10-00dl-9600000000-10b261a005df5d49c8dc PK$NUM_PEAK: 129 PK$PEAK: m/z int. rel.int. 40 103 103 41 252 252 43 151 151 44 103 103 45 5 5 46 16 16 47 7 7 48 13 13 51 95 95 52 19 19 53 137 137 54 17 17 55 103 103 56 7 7 57 13 13 59 6 6 61 18 18 62 22 22 64 23 23 65 105 105 66 12 12 67 70 70 69 60 60 71 45 45 73 20 20 76 5 5 77 124 124 78 74 74 79 398 398 80 57 57 81 398 398 83 47 47 85 10 10 87 39 39 91 291 291 92 73 73 93 291 291 95 64 64 97 18 18 99 7 7 105 125 125 106 27 27 107 230 230 108 55 55 109 35 35 115 30 30 120 12 12 121 74 74 122 37 37 123 999 999 124 82 82 125 60 60 130 12 12 131 15 15 133 49 49 134 40 40 135 72 72 136 285 285 137 11 11 138 5 5 141 12 12 143 6 6 145 11 11 146 12 12 149 7 7 151 15 15 152 13 13 157 18 18 161 16 16 167 7 7 168 71 71 173 16 16 180 8 8 187 5 5 188 7 7 191 5 5 193 17 17 194 11 11 196 10 10 205 15 15 206 6 6 208 16 16 210 10 10 212 10 10 216 6 6 220 12 12 221 7 7 225 7 7 228 7 7 238 12 12 241 5 5 256 18 18 267 24 24 291 12 12 302 10 10 305 8 8 310 5 5 311 7 7 312 9 9 315 12 12 320 7 7 327 8 8 330 22 22 333 5 5 340 10 10 342 5 5 346 12 12 352 13 13 355 21 21 362 5 5 363 6 6 366 9 9 367 7 7 373 5 5 374 7 7 410 5 5 426 5 5 428 18 18 429 11 11 434 6 6 437 5 5 439 6 6 447 7 7 454 5 5 460 5 5 477 19 19 480 19 19 518 7 7 561 19 19 //