ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009365
RECORD_TITLE: 3-(DIETHOXYPHOSPHORYL)METHYL-5-N-PENTYL-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$NAME: 3-(DIETHOXYPHOSPHORYL)METHYL-5-N-PENTYL-2-ISOXAZOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H26NO4P
CH$EXACT_MASS: 291.15994
CH$SMILES: CCCCCC(O1)CC(=N1)CP(=O)(OCC)OCC
CH$IUPAC: InChI=1S/C13H26NO4P/c1-4-7-8-9-13-10-12(14-18-13)11-19(15,16-5-2)17-6-3/h13H,4-11H2,1-3H3
CH$LINK: INCHIKEY SJRNQODZDUDLQK-UHFFFAOYSA-N
AC$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: splash10-022c-9750000000-36a319f2bb4d15d6282c
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  40 12.07 121
  41 4.12 41
  42 28.89 289
  43 8.75 88
  44 28.59 286
  45 3.74 37
  46 8.65 87
  47 4.26 43
  53 7.09 71
  54 13.27 133
  55 12.87 129
  56 4.71 47
  57 5.02 50
  58 4.32 43
  64 14.68 147
  66 6.21 62
  69 3.63 36
  80 4.44 44
  81 16.96 170
  82 3.91 39
  91 5.78 58
  97 4.52 45
  104 4.36 44
  109 13.68 137
  122 9.07 91
  123 4.05 41
  125 4.7 47
  134 1.6 16
  135 1.29 13
  136 1.5 15
  137 4.3 43
  138 1.52 15
  139 1.22 12
  146 10.07 101
  149 1.91 19
  150 1.58 16
  151 3.26 33
  152 3.3 33
  153 4.25 43
  163 1.56 16
  164 43.24 432
  165 2.82 28
  169 1.72 17
  178 1.35 14
  179 3.3 33
  181 2.35 24
  182 1.17 12
  192 27.9 279
  193 2.81 28
  197 2.61 26
  218 1.19 12
  220 99.99 999
  221 10.03 100
  222 1.73 17
  224 1.39 14
  234 1.97 20
  246 2.51 25
  276 1.34 13
  290 1.84 18
  291 7.72 77
  292 1.11 11
//
