应助达人
ACCESSION: JP010746RECORD_TITLE: ISOXATHION; EI-B; MSDATE: 2011.05.06 (Created 2008.10.21)AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACYLICENSE: CC BY-NC-SA
CH$NAME: ISOXATHIONCH$NAME: O,O-DIETHYL O-5-PHENYLISOXAZOL-3-YL PHOSPHOROTHIOATECH$COMPOUND_CLASS: N/ACH$FORMULA: C13H16NO4PSCH$EXACT_MASS: 313.05377CH$SMILES: CCOP(=S)(OCC)Oc(n2)cc(o2)c(c1)cccc1CH$IUPAC: InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
AC$INSTRUMENT: HITACHI M-80AC$INSTRUMENT_TYPE: EI-BAC$MASS_SPECTROMETRY: MS_TYPE MSAC$MASS_SPECTROMETRY: ION_MODE POSITIVEAC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$NUM_PEAK: 66PK$PEAK: m/z int. rel.int.29 2.03 2045 3.05 3161 2.65 2765 3 3077 12.24 12278 1.69 1781 3.24 3289 1.31 1391 1.53 1593 4.17 4297 9.02 9099 1.55 16102 1.29 13103 1.02 10104 1.08 11105 99.99 999106 7.69 77109 10.61 106113 6.16 62114 1.39 14115 1.5 15116 6.46 65121 2.71 27125 5.42 54127 2.21 22128 1.52 15129 2.85 29130 16.12 161131 2.29 23137 1.12 11138 1.01 10141 8.18 82143 1.3 13144 1.02 10145 3.15 32146 1.25 13147 1.27 13149 3.19 32153 1.84 18159 20.36 204160 2.66 27161 9.74 97162 6.35 64169 4.78 48170 1.83 18172 2.95 30174 2.24 22176 1.03 10177 83.25 833178 9.75 98179 4.07 41180 1.13 11186 1.5 15188 1.38 14192 1.52 15205 1.43 14208 9.6 96209 1.12 11239 1.7 17240 1.9 19257 1.44 14285 4.08 41312 1.11 11313 50.77 508314 8.49 85315 3.41 34//