MassBank Record: MSJ01047



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

ACCESSION: MSJ01047
RECORD_TITLE: Mitotane; 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$NAME: Mitotane CH$NAME: O,p'-DDD CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C14H10Cl4 CH$EXACT_MASS: 317.95366 CH$SMILES: C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl CH$IUPAC: InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H CH$LINK: INCHIKEY JWBOIMRXGHLCPP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4211 CH$LINK: COMPTOX DTXSID9020372
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$CHROMATOGRAPHY: RETENTION_TIME 13.35 min
PK$SPLASH: splash10-000i-2590000000-2d3f8090ffa4733bf9ee PK$NUM_PEAK: 93 PK$PEAK: m/z int. rel.int. 40 12 8 50 40 26 51 42 28 62 15 10 63 37 24 73 17 11 74 50 33 75 145 96 76 48 32 77 29 19 81 29 19 82 125 82 83 24 16 85 17 11 86 14 9 87 40 26 88 159 105 89 35 23 93 24 16 94 7 5 99 20 13 100 50 33 101 86 57 102 55 36 103 11 7 105 26 17 106 49 32 107 20 13 110 12 8 111 20 13 112 12 8 113 15 10 114 9 6 115 11 7 123 28 18 124 12 8 125 21 14 126 21 14 127 7 5 135 11 7 136 53 35 137 68 45 138 34 22 139 38 25 149 18 12 150 37 24 151 43 28 152 23 15 162 10 7 163 73 48 164 96 63 165 688 454 166 97 64 171 9 6 172 15 10 173 10 7 174 28 18 175 33 22 176 184 121 177 77 51 178 140 92 182 0 0 189 0 0 191 14 9 199 244 161 200 145 96 201 107 71 202 49 32 203 7 5 210 11 7 211 9 6 212 148 98 213 36 24 214 55 36 215 13 9 235 1515 999 236 178 117 237 999 659 238 140 92 239 172 113 240 23 15 246 15 10 247 28 18 248 38 25 249 21 14 250 22 15 282 24 16 284 52 34 285 9 6 286 25 16 318 37 24 320 34 22 322 17 11 //

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