ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009360
RECORD_TITLE: 3-(DIETHOXYPHOSPHORYL)METHYL-5-PHENYLSULFONYL-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$NAME: 3-(DIETHOXYPHOSPHORYL)METHYL-5-PHENYLSULFONYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20NO6PS
CH$EXACT_MASS: 361.07489
CH$SMILES: CCOP(=O)(OCC)CC(=N2)CC(O2)S(=O)(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H20NO6PS/c1-3-19-22(16,20-4-2)11-12-10-14(21-15-12)23(17,18)13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3
CH$LINK: INCHIKEY PXKGACKLAUJPNY-UHFFFAOYSA-N
AC$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: splash10-03k9-6930000000-52b62eabe06f2ab5749e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  40 3.55 36
  41 3.65 37
  42 3.85 39
  50 3.92 39
  51 15.61 156
  54 15.89 159
  65 14.3 143
  76 31.94 319
  77 10.24 102
  80 11.83 118
  81 12.16 122
  82 14.19 142
  95 9.8 98
  97 5.58 56
  109 9.43 94
  122 3.86 39
  125 13.41 134
  142 3.45 35
  146 35.66 357
  164 99.99 999
  165 5.01 50
  192 35.53 355
  220 78.3 783
  221 7.36 74
//
