ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004539
RECORD_TITLE: (N-TRIFLUOROACETYLAMINO)METHYLPHOSPHONIC ACID 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$NAME: (N-TRIFLUOROACETYLAMINO)METHYLPHOSPHONIC ACID DIBUTYL ESTER
CH$NAME: DIBUTYL (N-TRIFLUOROACETYLAMINO)METHYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₁F₃NO₄P
CH$EXACT_MASS: 319.11603
CH$SMILES: CCCCOP(=O)(OCCCC)CNC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C11H21F3NO4P/c1-3-5-7-18-20(17,19-8-6-4-2)9-15-10(16)11(12,13)14/h3-9H2,1-2H3,(H,15,16)
CH$LINK: INCHIKEY DGEWAUAVZKJTCG-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:101618058

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$SPLASH: splash10-0229-2904000000-d6c5e30b7c0f1671e3c0
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
  61 3.3 33
  65 0.7 7
  66 0.9 9
  67 0.33 3
  68 0.7 7
  69 2.6 26
  70 3.4 34
  71 0.76 8
  72 4.7 47
  73 9.7 97
  74 1.1 11
  75 0.08 1
  81 1.1 11
  82 1.5 15
  83 4.1 41
  84 0.35 4
  85 2.6 26
  86 2.1 21
  88 0.8 8
  89 0.21 2
  91 1.5 15
  93 0.7 7
  95 1.1 11
  96 0.22 2
  97 1.7 17
  98 4.3 43
  99 2.3 23
  100 0.3 3
  101 1.6 16
  102 1.2 12
  103 0.6 6
  108 0.07 1
  109 2.9 29
  110 3.3 33
  111 3.6 36
  112 0.3 3
  114 51.4 514
  115 1.6 16
  117 0.8 8
  121 0.07 1
  122 1.1 11
  123 2.6 26
  124 1.5 15
  125 0.17 2
  126 2.9 29
  127 2 20
  128 13.4 134
  129 0.19 2
  131 0.7 7
  132 0.6 6
  134 0.7 7
  136 0.11 1
  137 13.8 138
  138 3 30
  139 5.6 56
  140 0.21 2
  141 1.5 15
  142 10.2 102
  143 0.8 8
  148 0.06 1
  149 0.6 6
  150 0.6 6
  151 3.7 37
  152 0.22 2
  153 6.4 64
  154 2.3 23
  155 1 10
  156 0.12 1
  161 0.7 7
  163 0.8 8
  164 0.6 6
  165 0.24 2
  166 4.1 41
  167 3.6 36
  168 1.8 18
  169 0.08 1
  170 1.2 12
  177 0.8 8
  178 0.6 6
  179 2.39 24
  180 2.9 29
  181 2.8 28
  182 1.1 11
  183 0.09 1
  184 0.8 8
  190 3.9 39
  193 3.1 31
  194 0.12 1
  195 31.3 313
  196 2.8 28
  197 0.8 8
  206 0.06 1
  207 1.6 16
  208 7.2 72
  209 2.4 24
  223 0.08 1
  224 0.6 6
  225 0.7 7
  233 0.6 6
  235 0.08 1
  236 0.7 7
  246 1.7 17
  248 1.2 12
  250 0.08 1
  264 5.4 54
  304 1.3 13
  320 99.99 999
  321 1.54 15
  322 1.5 15
  334 0.4 4
  337 0.1 1
  347 0.04 0
  348 2 20
  349 0.8 8
  358 1.2 12
  359 0.02 0
  360 0.5 5
  363 0.1 1
  377 0.6 6
  391 0.3 3
//