ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004557
RECORD_TITLE: DIBUTYL 2-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DIBUTYL 2-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₃F₃NO₄P
CH$EXACT_MASS: 333.13168
CH$SMILES: CCCCOP(=O)(OCCCC)CCNC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C12H23F3NO4P/c1-3-5-8-19-21(18,20-9-6-4-2)10-7-16-11(17)12(13,14)15/h3-10H2,1-2H3,(H,16,17)
CH$LINK: INCHIKEY ICWBNDWAEAJFRR-UHFFFAOYSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0zmi-1790000000-c336a3bffa3bb11d08db
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  80 3.3 33
  81 2.4 24
  82 1.8 18
  83 1.23 12
  84 1.4 14
  85 6.4 64
  87 1.1 11
  90 0.11 1
  91 3.5 35
  96 3.5 35
  97 6.8 68
  106 0.62 6
  107 1.2 12
  108 32.8 328
  109 22.3 223
  110 0.29 3
  111 2.3 23
  114 1 10
  120 1 10
  123 0.31 3
  124 1.6 16
  126 2.6 26
  134 2.8 28
  135 0.16 2
  136 3.1 31
  137 1.8 18
  138 4 40
  139 0.82 8
  140 7.5 75
  141 1.4 14
  149 1 10
  150 0.13 1
  152 81.8 818
  153 5.4 54
  154 2.6 26
  185 0.12 1
  192 1.1 11
  204 56.5 565
  205 2.7 27
  206 0.1 1
  208 15.1 151
  209 1.4 14
  220 1.2 12
  221 0.36 4
  222 99.99 999
  223 4.7 47
  248 2.5 25
  250 0.12 1
  260 5.8 58
  264 24.4 244
  265 3 30
  278 2.46 25
  279 2.3 23
  304 0.5 5
  334 1.2 12
//