ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009352
RECORD_TITLE: 3-(DIETHOXYPHOSPHORYL)METHYL-5-METHOXYCARBONYL-2-ISOXAZOLINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 3-(DIETHOXYPHOSPHORYL)METHYL-5-METHOXYCARBONYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H18NO6P
CH$EXACT_MASS: 279.08717
CH$SMILES: COC(=O)C(O1)CC(=N1)CP(=O)(OCC)OCC
CH$IUPAC: InChI=1S/C10H18NO6P/c1-4-15-18(13,16-5-2)7-8-6-9(17-11-8)10(12)14-3/h9H,4-7H2,1-3H3
CH$LINK: INCHIKEY HLHGCXALTYCKCW-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0r0r-9410000000-62d959829c255631d28b
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  38 13.43 134
  39 7.14 71
  40 14.62 146
  41 15.32 153
  42 25.22 252
  44 13.65 137
  47 20.31 203
  51 13.25 133
  52 15.58 156
  53 24.36 244
  54 89.43 894
  55 22.17 222
  59 99.99 999
  65 39.78 398
  78 13.5 135
  79 9.08 91
  81 80.47 805
  82 18.66 187
  83 19.71 197
  84 6.95 70
  91 15.89 159
  95 8.44 84
  96 8.29 83
  97 9.08 91
  104 9.63 96
  109 49.4 494
  122 7.58 76
  123 1.71 17
  125 2.32 23
  133 2.62 26
  136 2.08 21
  137 7.58 76
  142 8.93 89
  146 43.72 437
  147 2.54 25
  148 1.39 14
  149 1.55 16
  164 92.57 926
  165 5.76 58
  166 1.11 11
  174 1.39 14
  178 3.67 37
  192 27.69 277
  193 1.86 19
  220 51.64 516
  221 6.25 63
  234 1.78 18
  280 8.78 88
  281 1.02 10
//
