ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004540
RECORD_TITLE: DIBUTYL 1-(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$NAME: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)ETHYLPHOSPHONATE
CH$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: 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$SPLASH: splash10-001c-3910000000-30e1e948970a0c173c2f
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  57 2 20
  65 1 10
  69 3.7 37
  70 0.33 3
  72 1.3 13
  82 9.5 95
  83 99.9 999
  84 0.27 3
  86 1.8 18
  91 1 10
  92 4.1 41
  93 0.22 2
  96 2.3 23
  97 2.6 26
  99 23.2 232
  106 0.2 2
  109 7.7 77
  110 4.7 47
  111 2.7 27
  113 0.13 1
  121 1.3 13
  122 1.9 19
  123 69.4 694
  124 1.15 12
  125 2.1 21
  126 1.6 16
  127 1.1 11
  136 0.53 5
  137 9.5 95
  138 72.3 723
  139 99.7 997
  140 99.99 999
  141 18.5 185
  142 1 10
  152 14.4 144
  153 0.14 1
  155 15.5 155
  164 1.1 11
  165 1.8 18
  179 0.64 6
  192 1.7 17
  194 23.6 236
  195 2.3 23
  201 0.14 1
  203 2 20
  204 37.6 376
  205 2 20
  206 0.37 4
  208 1.6 16
  211 7.9 79
  221 11.4 114
  222 5.72 57
  223 2.9 29
  248 2.3 23
  260 5.6 56
  264 0.12 1
  277 2.2 22
  278 10.8 108
  279 1 10
  333 0.15 2
  334 15.9 159
  335 2 20
//