ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004542
RECORD_TITLE: 2-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONICACID DIBUTYL ESTER; 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$NAME: 2-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONICACID DIBUTYL ESTER
CH$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: 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$SPLASH: splash10-001i-1329000000-1afeb9293f0e1cb22153
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  67 1.1 11
  70 1.4 14
  71 4.2 42
  72 0.08 1
  73 2 20
  83 2.4 24
  96 0.5 5
  97 0.11 1
  98 0.5 5
  99 1 10
  100 0.8 8
  101 0.08 1
  109 0.8 8
  111 1.4 14
  112 0.6 6
  114 2.09 21
  115 0.9 9
  117 0.5 5
  122 0.8 8
  123 0.09 1
  125 0.6 6
  137 1.1 11
  138 0.5 5
  139 0.25 3
  140 1.5 15
  141 0.5 5
  142 5.4 54
  151 0.07 1
  152 2.1 21
  153 1 10
  155 0.5 5
  156 0.23 2
  158 0.6 6
  165 1.2 12
  167 1.6 16
  179 0.1 1
  181 0.9 9
  193 10.2 102
  194 1.1 11
  195 2.06 21
  196 2.3 23
  197 0.5 5
  201 0.9 9
  203 0.1 1
  204 2.2 22
  207 0.6 6
  209 1.2 12
  211 0.05 1
  213 0.6 6
  215 0.6 6
  217 0.7 7
  220 0.06 1
  221 11.2 112
  222 3.6 36
  223 1 10
  233 0.11 1
  245 0.5 5
  248 0.5 5
  254 0.8 8
  260 0.11 1
  264 1.8 18
  266 0.8 8
  278 2.7 27
  306 0.08 1
  318 0.7 7
  332 1.4 14
  334 99.99 999
  335 1.3 13
  336 2 20
  372 1.7 17
  373 0.5 5
  374 0.6 6
//