MassBank Record: MSJ01036



 Butyl 2,4-dichlorophenoxyacetate; GC-EI-Q; MS; Positive 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ01036
RECORD_TITLE: Butyl 2,4-dichlorophenoxyacetate; GC-EI-Q; MS; Positive
DATE: 2017.07.13 (2016.12.16)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Butyl 2,4-dichlorophenoxyacetate CH$NAME: Butyl 2,4-D CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C12H14Cl2O3 CH$EXACT_MASS: 276.03200 CH$SMILES: CCCCOC(=O)COc(c1)c(Cl)cc(Cl)c1 CH$IUPAC: InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3 CH$LINK: INCHIKEY UQMRAFJOBWOFNS-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:7206 CH$LINK: COMPTOX DTXSID5020443
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$CHROMATOGRAPHY: RETENTION_TIME 9.3 min
PK$SPLASH: splash10-06vu-6920000000-e93f74d4fb23eeb82be8 PK$NUM_PEAK: 99 PK$PEAK: m/z int. rel.int. 40 8 8 41 801 801 42 155 155 43 155 155 44 30 30 45 6 6 50 28 28 51 15 15 53 10 10 55 89 89 56 58 58 57 999 999 58 43 43 59 5 5 61 8 8 62 21 21 63 86 86 64 6 6 65 8 8 70 8 8 71 13 13 72 15 15 73 56 56 74 72 72 75 122 122 76 13 13 77 25 25 83 12 12 84 14 14 85 24 24 86 13 13 87 13 13 96 5 5 97 21 21 98 35 35 99 15 15 100 12 12 101 13 13 107 11 11 109 178 178 110 46 46 111 261 261 112 53 53 113 69 69 114 15 15 115 5 5 126 19 19 127 5 5 128 21 21 130 4 4 133 84 84 134 5 5 135 50 50 137 9 9 139 17 17 140 5 5 141 21 21 143 11 11 144 7 7 145 225 225 146 23 23 147 211 211 148 15 15 149 65 65 151 9 9 156 19 19 158 7 7 161 71 71 162 391 391 163 76 76 164 255 255 165 28 28 166 39 39 167 5 5 173 7 7 175 353 353 176 76 76 177 223 223 178 54 54 179 36 36 180 8 8 184 29 29 185 759 759 186 78 78 187 256 256 188 24 24 220 184 184 221 17 17 222 120 120 223 11 11 224 18 18 241 21 21 243 5 5 276 413 413 277 53 53 278 262 262 279 39 39 280 47 47 281 7 7 //

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