ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009351
RECORD_TITLE: 5-ACETOXY-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$NAME: 5-ACETOXY-3-(DIETHOXYPHOSPHORYL)METHYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈NO₆P
CH$EXACT_MASS: 279.08717
CH$SMILES: CCOP(=O)(OCC)CC(=N1)CC(OC(C)=O)O1
CH$IUPAC: InChI=1S/C10H18NO6P/c1-4-14-18(13,15-5-2)7-9-6-10(17-11-9)16-8(3)12/h10H,4-7H2,1-3H3
CH$LINK: INCHIKEY PUOIXLJREASCAX-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$SPLASH: splash10-01vo-8950000000-5084de890a12826d32ec
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  40 6.47 65
  42 10.26 103
  43 5.78 58
  44 75.49 755
  46 5.59 56
  47 6.55 66
  53 4.28 43
  54 23.63 236
  55 9.47 95
  57 3.97 40
  64 20 200
  78 6.24 62
  81 28.47 285
  82 13.78 138
  83 20.9 209
  91 5.87 59
  95 5.27 53
  96 8.06 81
  97 6.66 67
  104 3.6 36
  109 14.58 146
  110 3.55 36
  111 4.58 46
  121 4.19 42
  122 6.79 68
  125 4.3 43
  129 3.47 35
  135 5.86 59
  136 16.86 169
  137 2.35 24
  138 1.96 20
  146 24.31 243
  148 4.99 50
  149 5.13 51
  150 3.5 35
  153 12.3 123
  163 5.63 56
  164 77.93 779
  165 4.08 41
  174 3.98 40
  176 2.79 28
  181 9.28 93
  192 39.86 399
  193 3.04 30
  194 1.83 18
  204 1.88 19
  209 38.92 389
  210 3.77 38
  219 3.25 33
  220 99.99 999
  221 8.82 88
  222 3.03 30
  237 4.8 48
//