ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009356
RECORD_TITLE: 5-DIETHOXYMETHYL-3-(DIETHOXYPHOSPHORYL)METHYL-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$NAME: 5-DIETHOXYMETHYL-3-(DIETHOXYPHOSPHORYL)METHYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₆NO₆P
CH$EXACT_MASS: 323.14977
CH$SMILES: CCOC(OCC)C(O1)CC(=N1)CP(=O)(OCC)OCC
CH$IUPAC: InChI=1S/C13H26NO6P/c1-5-16-13(17-6-2)12-9-11(14-20-12)10-21(15,18-7-3)19-8-4/h12-13H,5-10H2,1-4H3
CH$LINK: INCHIKEY MEWHSFWACYOMPK-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$SPLASH: splash10-0udi-7910000000-f641c30bb2303c116ec6
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  31 2.94 29
  35 6.6 66
  41 1.67 17
  42 1.65 17
  43 1.84 18
  45 3.71 37
  47 26.76 268
  54 2.08 21
  55 1.57 16
  57 3.73 37
  65 3.24 32
  75 44.51 445
  76 1.66 17
  81 4.02 40
  82 1.4 14
  83 2.24 22
  85 1.36 14
  95 1.56 16
  96 1.32 13
  97 2.57 26
  103 99.99 999
  104 6.09 61
  108 1.25 13
  109 2.6 26
  122 5.54 55
  125 3.71 37
  146 2.92 29
  150 1.56 16
  152 1.35 14
  164 6.34 63
  176 2.88 29
  180 1.28 13
  192 2.63 26
  220 4.9 49
  222 2.35 24
  250 3.34 33
  278 8.79 88
  279 1.22 12
//