MassBank Record: MSJ01086



 Isoxathion; GC-EI-Q; MS; Positive; M+* 
Mass Spectrum
Chemical Structure
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ACCESSION: MSJ01086
RECORD_TITLE: Isoxathion; 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$NAME: Isoxathion CH$COMPOUND_CLASS: Non-Natural Product; Pesticides CH$FORMULA: C13H16NO4PS CH$EXACT_MASS: 313.05377 CH$SMILES: CCOP(=S)(OCC)Oc(n2)cc(o2)c(c1)cccc1 CH$IUPAC: InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3 CH$LINK: INCHIKEY SDMSCIWHRZJSRN-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:29307 CH$LINK: COMPTOX DTXSID0042080
AC$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 13.7 min
MS$FOCUSED_ION: ION_TYPE [M]+* MS$FOCUSED_ION: PRECURSOR_M/Z 313.1
PK$SPLASH: splash10-0a6r-6900000000-8e193a91e7d43b4a9c14 PK$NUM_PEAK: 96 PK$PEAK: m/z int. rel.int. 40 8 8 41 6 6 42 11 11 43 18 18 45 60 60 47 22 22 50 47 47 51 176 176 52 14 14 61 16 16 62 12 12 63 27 27 64 9 9 65 108 108 66 5 5 68 7 7 69 7 7 74 28 28 75 20 20 76 48 48 77 557 557 78 89 89 81 51 51 82 18 18 83 35 35 85 5 5 88 7 7 89 31 31 90 6 6 91 24 24 92 12 12 93 57 57 94 12 12 96 12 12 97 99 99 98 8 8 99 32 32 100 5 5 102 35 35 103 13 13 104 14 14 105 999 999 106 75 75 109 50 50 111 37 37 113 34 34 114 60 60 115 35 35 116 45 45 117 14 14 121 16 16 125 37 37 126 25 25 127 47 47 128 5 5 129 22 22 130 87 87 131 16 16 132 8 8 133 11 11 134 7 7 135 5 5 136 16 16 137 15 15 138 10 10 139 6 6 141 25 25 142 5 5 143 6 6 144 5 5 145 82 82 146 14 14 147 5 5 148 6 6 149 24 24 150 7 7 159 57 57 160 7 7 161 24 24 162 20 20 164 8 8 169 8 8 170 52 52 171 7 7 172 7 7 174 7 7 177 181 181 178 20 20 179 15 15 188 8 8 208 16 16 240 5 5 283 5 5 285 18 18 313 101 101 314 13 13 //

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