ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010203
RECORD_TITLE: 3-(DIETHOXYPHOSPHINYL)METHYL-5-PHENETHYL-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$NAME: 3-(DIETHOXYPHOSPHINYL)METHYL-5-PHENETHYL-2-ISOXAZOLINE
CH$NAME: DIETHYL (5-PHENETHYL-2-ISOOXAZOLIN-3-YL)METHYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H24NO4P
CH$EXACT_MASS: 325.14429
CH$SMILES: CCOP(=O)(OCC)CC(=N1)CC(CCc(c2)cccc2)O1
CH$IUPAC: InChI=1S/C16H24NO4P/c1-3-19-22(18,20-4-2)13-15-12-16(21-17-15)11-10-14-8-6-5-7-9-14/h5-9,16H,3-4,10-13H2,1-2H3
CH$LINK: INCHIKEY PBSWHVPMOPBXLP-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$SPLASH: splash10-00dl-8971000000-fdf54d5f42cfb70ed7aa
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  32 4.44 44
  39 4.38 44
  41 6.34 63
  42 4.22 42
  43 4.93 49
  45 5.36 54
  54 4.92 49
  55 4.17 42
  57 7.56 76
  65 8.1 81
  77 7.59 76
  78 7 70
  79 4.4 44
  81 11.7 117
  91 39.61 396
  92 8.11 81
  97 4.46 45
  99 4.33 43
  103 6.33 63
  104 11.44 114
  105 9.79 98
  109 10.15 102
  115 4.53 45
  117 4.97 50
  122 7.21 72
  123 4.83 48
  125 7.14 71
  134 3.91 39
  146 8.29 83
  152 4.74 47
  164 39.31 393
  192 21.76 218
  220 99.99 999
  221 10.34 103
  222 4.9 49
  296 6.3 63
  325 20.84 208
  326 3.86 39
//
