ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010435
RECORD_TITLE: PHOSPHOROTHIOIC ACID O,O-DIETHYL O-(5-PHENYL-3-ISOXAZOLYL) ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

CH$NAME: PHOSPHOROTHIOIC ACID O,O-DIETHYL O-(5-PHENYL-3-ISOXAZOLYL) ESTER
CH$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$INSTRUMENT: JEOL JMS-DX-303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6r-2901000000-ea7345f297a256740dfa
PK$NUM_PEAK: 88
PK$PEAK: m/z int. rel.int.
  36 1.39 14
  39 1.69 17
  45 4.02 40
  47 1.11 11
  50 3.03 30
  51 9.74 97
  61 1.73 17
  63 2.01 20
  65 5.1 51
  69 1.08 11
  74 1.63 16
  75 1.87 19
  76 3.37 34
  77 34 340
  78 4.89 49
  81 4.21 42
  89 3.46 35
  90 1.44 14
  91 3.23 32
  93 3.65 37
  97 13.29 133
  99 2.97 30
  102 6 60
  103 2.32 23
  104 1.61 16
  105 99.99 999
  106 7.94 79
  109 9.48 95
  111 1.19 12
  113 6.76 68
  114 1.69 17
  115 1.86 19
  116 6.41 64
  117 1.44 14
  121 2.75 28
  125 4.98 50
  127 3.41 34
  128 1.75 18
  129 4.09 41
  130 17.48 175
  131 3.28 33
  132 1.66 17
  136 4.04 40
  137 1.76 18
  141 7.91 79
  142 1.27 13
  143 1.16 12
  144 1.04 10
  145 5.59 56
  146 2.37 24
  147 2.2 22
  148 1.61 16
  149 3.91 39
  150 1.29 13
  153 2.39 24
  158 1.13 11
  159 18.06 181
  160 3 30
  161 9.59 96
  162 7.17 72
  163 1.01 10
  164 3.14 31
  169 4.09 41
  170 1.81 18
  171 1.3 13
  172 3.65 37
  174 3.1 31
  177 76.85 769
  178 10.11 101
  179 4.69 47
  180 1.24 12
  186 1.24 12
  188 2.47 25
  192 1.91 19
  205 1.09 11
  208 10.36 104
  209 1.35 14
  224 1 10
  236 1.35 14
  240 2.65 27
  257 1.57 16
  284 1.12 11
  285 6.88 69
  286 1.17 12
  312 1.64 16
  313 55.06 551
  314 9.04 90
  315 3.52 35
//