MassBank Record: MSJ01089



 Isofenphos; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01089
RECORD_TITLE: Isofenphos; GC-EI-Q; MS; Positive; M+*
DATE: 2017.07.13 (2017.01.05)
AUTHORS: , Shimadzu Corporation., Kyoto, Japan
LICENSE: CC BY
COPYRIGHT: Shimadzu Cooperation., Kyoto, Japan
PUBLICATION: Shimadzu Collection of Pesticide GCMS Data

CH$NAME: Isofenphos CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C15H24NO4PS CH$EXACT_MASS: 345.11637 CH$SMILES: CC(C)OC(=O)c(c1)c(ccc1)OP(=S)(OCC)NC(C)C CH$IUPAC: InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22) CH$LINK: INCHIKEY HOQADATXFBOEGG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:32872
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$FOCUSED_ION: PRECURSOR_M/Z 345.1
PK$SPLASH: splash10-0ab9-9840000000-b95f40096879a4468f84 PK$NUM_PEAK: 107 PK$PEAK: m/z int. rel.int. 40 8 8 41 120 120 42 80 80 43 181 181 44 82 82 45 27 27 46 14 14 47 12 12 50 5 5 51 9 9 53 11 11 56 6 6 57 17 17 58 999 999 59 48 48 62 5 5 63 47 47 64 118 118 65 97 97 66 9 9 75 5 5 76 7 7 77 20 20 80 24 24 81 12 12 88 10 10 90 21 21 91 5 5 92 191 191 93 64 64 94 16 16 96 161 161 97 9 9 98 8 8 104 19 19 105 17 17 106 77 77 107 5 5 108 7 7 109 14 14 118 12 12 119 9 9 120 619 619 121 469 469 122 59 59 123 17 17 124 9 9 132 11 11 134 29 29 135 5 5 136 70 70 137 22 22 138 251 251 139 33 33 140 9 9 141 5 5 149 6 6 150 13 13 155 11 11 157 7 7 165 13 13 166 16 16 167 28 28 168 5 5 169 5 5 171 21 21 173 12 12 180 62 62 181 6 6 182 19 19 183 13 13 184 9 9 185 159 159 186 9 9 197 7 7 198 14 14 199 14 14 200 84 84 201 66 66 202 5 5 213 340 340 214 41 41 215 5 5 216 51 51 217 75 75 218 10 10 224 5 5 226 19 19 228 37 37 229 90 90 230 10 10 232 15 15 242 7 7 244 46 46 245 57 57 246 9 9 254 7 7 255 155 155 256 26 26 257 7 7 270 15 15 271 8 8 272 6 6 286 22 22 287 7 7 314 7 7 345 7 7 //