ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010746
RECORD_TITLE: ISOXATHION; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: ISOXATHION
CH$NAME: O,O-DIETHYL O-5-PHENYLISOXAZOL-3-YL PHOSPHOROTHIOATE
CH$COMPOUND_CLASS: N/A
CH$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: COMPTOX DTXSID0042080

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6r-1901000000-f194244458f51bb67286
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  29 2.03 20
  45 3.05 31
  61 2.65 27
  65 3 30
  77 12.24 122
  78 1.69 17
  81 3.24 32
  89 1.31 13
  91 1.53 15
  93 4.17 42
  97 9.02 90
  99 1.55 16
  102 1.29 13
  103 1.02 10
  104 1.08 11
  105 99.99 999
  106 7.69 77
  109 10.61 106
  113 6.16 62
  114 1.39 14
  115 1.5 15
  116 6.46 65
  121 2.71 27
  125 5.42 54
  127 2.21 22
  128 1.52 15
  129 2.85 29
  130 16.12 161
  131 2.29 23
  137 1.12 11
  138 1.01 10
  141 8.18 82
  143 1.3 13
  144 1.02 10
  145 3.15 32
  146 1.25 13
  147 1.27 13
  149 3.19 32
  153 1.84 18
  159 20.36 204
  160 2.66 27
  161 9.74 97
  162 6.35 64
  169 4.78 48
  170 1.83 18
  172 2.95 30
  174 2.24 22
  176 1.03 10
  177 83.25 833
  178 9.75 98
  179 4.07 41
  180 1.13 11
  186 1.5 15
  188 1.38 14
  192 1.52 15
  205 1.43 14
  208 9.6 96
  209 1.12 11
  239 1.7 17
  240 1.9 19
  257 1.44 14
  285 4.08 41
  312 1.11 11
  313 50.77 508
  314 8.49 85
  315 3.41 34
//