ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004541
RECORD_TITLE: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE; CI-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$NAME: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₃F₃NO₄P
CH$EXACT_MASS: 333.13168
CH$SMILES: CCCCOP(=O)(OCCCC)C(C)NC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C12H23F3NO4P/c1-4-6-8-19-21(18,20-9-7-5-2)10(3)16-11(17)12(13,14)15/h10H,4-9H2,1-3H3,(H,16,17)
CH$LINK: INCHIKEY KXEFGAZWYZRDOU-UHFFFAOYSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 500 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-001i-1609000000-bf0f28c1164830ce7516
PK$NUM_PEAK: 79
PK$PEAK: m/z int. rel.int.
  72 3.3 33
  73 9.2 92
  84 0.8 8
  85 0.09 1
  86 1.1 11
  89 0.6 6
  95 1 10
  96 0.08 1
  98 0.7 7
  109 1 10
  110 0.9 9
  111 0.08 1
  112 1.1 11
  114 14.5 145
  115 0.6 6
  122 0.06 1
  123 1.2 12
  124 0.8 8
  125 1.6 16
  126 0.09 1
  128 0.6 6
  137 1.6 16
  138 1.4 14
  139 0.49 5
  140 11.1 111
  141 1 10
  142 1.5 15
  151 0.22 2
  152 0.9 9
  153 1.2 12
  154 0.9 9
  155 0.06 1
  156 2.3 23
  165 1.4 14
  166 0.6 6
  167 0.32 3
  177 0.6 6
  179 1.3 13
  180 2 20
  181 0.18 2
  193 11.8 118
  194 1.8 18
  195 24.7 247
  196 0.27 3
  197 1 10
  204 0.8 8
  207 1.4 14
  209 0.12 1
  221 1 10
  222 1.4 14
  223 1.5 15
  235 0.09 1
  236 0.6 6
  237 0.7 7
  260 0.7 7
  262 0.06 1
  278 2.9 29
  318 0.8 8
  332 1.3 13
  334 99.99 999
  335 11.9 119
  336 1.5 15
  337 0.1 1
  348 0.1 1
  349 0.2 2
  351 0.2 2
  363 0.1 1
  365 0.01 0
  372 1.5 15
  373 0.3 3
  374 0.5 5
  375 0.01 0
  376 0.2 2
  377 0.4 4
  378 0.1 1
  389 0.01 0
  391 0.6 6
  392 0.1 1
  405 0.5 5
//