MassBank Record: MSJ01035



 2,4,5-T-butyl; GC-EI-Q; MS; Positive 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MSJ01035
RECORD_TITLE: 2,4,5-T-butyl; 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$NAME: 2,4,5-T-butyl CH$NAME: Krzewotoks CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C12H13Cl3O3 CH$EXACT_MASS: 309.99303 CH$SMILES: CCCCOC(=O)COc(c1)c(Cl)cc(Cl)c(Cl)1 CH$IUPAC: InChI=1S/C12H13Cl3O3/c1-2-3-4-17-12(16)7-18-11-6-9(14)8(13)5-10(11)15/h5-6H,2-4,7H2,1H3 CH$LINK: INCHIKEY FNEXNZUHBCBQTI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:7161
AC$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 11.07 min
PK$SPLASH: splash10-0btc-9562000000-b5f3961eda1107b6c60b PK$NUM_PEAK: 106 PK$PEAK: m/z int. rel.int. 41 737 737 42 124 124 43 126 126 44 12 12 50 7 7 53 9 9 54 5 5 55 82 82 56 55 55 57 999 999 58 48 48 61 13 13 62 23 23 63 13 13 69 5 5 70 5 5 71 10 10 72 11 11 73 31 31 74 54 54 75 17 17 83 9 9 84 20 20 85 11 11 86 16 16 87 6 6 96 9 9 97 66 66 99 20 20 101 6 6 106 6 6 107 25 25 108 28 28 109 75 75 110 12 12 111 38 38 112 5 5 113 7 7 131 5 5 132 17 17 133 17 17 134 15 15 135 7 7 143 73 73 144 46 46 145 132 132 146 94 94 147 65 65 148 45 45 149 13 13 150 5 5 160 6 6 162 8 8 167 41 41 169 43 43 171 12 12 173 10 10 175 12 12 177 5 5 178 5 5 179 91 91 180 10 10 181 101 101 182 9 9 183 48 48 184 6 6 185 10 10 190 14 14 192 15 15 195 21 21 196 161 161 197 27 27 198 145 145 199 14 14 200 47 47 202 6 6 209 142 142 210 43 43 211 141 141 212 35 35 213 46 46 214 10 10 215 5 5 218 22 22 219 457 457 220 50 50 221 311 311 222 27 27 223 41 41 224 5 5 254 136 136 255 13 13 256 136 136 257 5 5 258 41 41 259 5 5 260 5 5 275 8 8 277 5 5 310 267 267 311 31 31 312 260 260 313 30 30 314 80 80 315 12 12 316 9 9 //