MassBank Record: MSJ01087



 Isoxathion oxon; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01087
RECORD_TITLE: Isoxathion oxon; 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$NAME: Isoxathion oxon CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C13H16NO5P CH$EXACT_MASS: 297.07661 CH$SMILES: [H]C([H])([H])C([H])([H])OP(=O)(OC([H])([H])C([H])([H])[H])Oc(n2)c([H])c(o2)c(c([H])1)c([H])c([H])c([H])c([H])1 CH$IUPAC: InChI=1S/C13H16NO5P/c1-3-16-20(15,17-4-2)19-13-10-12(18-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 CH$LINK: INCHIKEY VLBRWDJSOHOVGF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:154897 CH$LINK: COMPTOX DTXSID30186043
AC$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 12.9 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 297.1
PK$SPLASH: splash10-0a6r-7910000000-26143de6c04a0784250c PK$NUM_PEAK: 126 PK$PEAK: m/z int. rel.int. 40 8 8 42 48 48 43 29 29 44 5 5 45 28 28 46 65 65 48 13 13 50 112 112 51 229 229 54 7 7 61 28 28 62 31 31 65 23 23 67 31 31 69 65 65 70 14 14 72 10 10 74 21 21 76 35 35 77 685 685 78 209 209 80 14 14 81 98 98 82 63 63 83 16 16 85 14 14 87 25 25 89 57 57 90 10 10 91 72 72 92 11 11 93 10 10 94 6 6 99 183 183 100 31 31 102 106 106 103 54 54 104 9 9 105 999 999 106 103 103 108 5 5 109 57 57 111 14 14 113 37 37 116 37 37 118 25 25 119 16 16 123 5 5 124 7 7 125 76 76 126 23 23 127 95 95 129 62 62 133 50 50 135 20 20 137 19 19 143 7 7 145 99 99 146 61 61 150 17 17 152 10 10 153 10 10 154 10 10 156 17 17 157 5 5 160 14 14 161 271 271 162 25 25 171 29 29 172 58 58 173 95 95 180 13 13 181 16 16 182 6 6 187 10 10 188 37 37 192 8 8 194 19 19 198 7 7 199 7 7 203 27 27 204 7 7 209 11 11 213 19 19 218 8 8 220 7 7 223 14 14 224 18 18 226 14 14 227 15 15 230 11 11 231 5 5 233 10 10 241 13 13 254 71 71 268 6 6 269 11 11 277 6 6 282 37 37 305 5 5 308 6 6 331 5 5 343 13 13 350 5 5 355 7 7 362 7 7 375 18 18 381 8 8 409 12 12 415 18 18 436 6 6 466 18 18 470 13 13 471 7 7 498 21 21 503 9 9 519 7 7 530 8 8 531 20 20 536 5 5 540 5 5 543 15 15 552 6 6 565 5 5 571 9 9 582 6 6 //

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