ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004549
RECORD_TITLE: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)PENTYLPHOSPHONATE; 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$NAME: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)PENTYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₉F₃NO₄P
CH$EXACT_MASS: 375.17863
CH$SMILES: CCCCOP(=O)(OCCCC)C(CCCC)NC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C15H29F3NO4P/c1-4-7-10-13(19-14(20)15(16,17)18)24(21,22-11-8-5-2)23-12-9-6-3/h13H,4-12H2,1-3H3,(H,19,20)
CH$LINK: INCHIKEY VTGKYJIQDAIQCK-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$SPLASH: splash10-004i-4926000000-4acfdc489ff3287ac41a
PK$NUM_PEAK: 136
PK$PEAK: m/z int. rel.int.
  68 1.9 19
  69 10 100
  72 4.9 49
  73 1.83 18
  74 1.2 12
  79 2.5 25
  80 0.9 9
  81 0.29 3
  84 1.2 12
  85 12.6 126
  86 13.5 135
  87 0.56 6
  88 0.5 5
  89 0.5 5
  93 0.7 7
  94 0.1 1
  95 8.4 84
  96 3 30
  97 4.6 46
  98 0.07 1
  100 0.7 7
  107 2 20
  108 0.8 8
  109 0.49 5
  110 1.8 18
  111 3.1 31
  112 1.3 13
  113 0.1 1
  114 23.8 238
  115 0.9 9
  117 0.6 6
  121 0.08 1
  122 0.7 7
  123 2 20
  124 2 20
  125 0.16 2
  126 2.4 24
  127 2 20
  128 1.9 19
  129 0.1 1
  131 0.7 7
  133 0.6 6
  137 1 10
  138 0.27 3
  139 8.2 82
  140 7.4 74
  141 1.4 14
  142 0.2 2
  148 0.5 5
  149 0.7 7
  150 0.8 8
  151 0.14 1
  152 0.9 9
  153 2 20
  154 1.5 15
  155 0.11 1
  156 0.8 8
  157 0.5 5
  161 0.5 5
  163 0.06 1
  164 1.5 15
  165 1.5 15
  166 3.4 34
  167 0.17 2
  168 1.8 18
  169 0.7 7
  177 1.1 11
  178 0.12 1
  179 2.4 24
  180 1.5 15
  181 2.9 29
  182 3.43 34
  183 3.8 38
  184 4.5 45
  193 2.4 24
  194 0.13 1
  195 34.7 347
  196 4.1 41
  197 1.1 11
  198 0.18 2
  203 1.5 15
  206 0.5 5
  207 1.2 12
  209 0.33 3
  210 1.1 11
  211 1.1 11
  212 0.5 5
  213 0.06 1
  214 0.5 5
  215 0.9 9
  216 0.9 9
  217 0.14 1
  218 1.1 11
  220 1.3 13
  221 14.7 147
  222 0.37 4
  223 3.3 33
  224 1.2 12
  226 0.5 5
  227 0.07 1
  228 0.5 5
  233 1 10
  235 6.9 69
  236 0.11 1
  237 1.1 11
  240 0.6 6
  246 1.3 13
  249 0.1 1
  250 0.6 6
  252 0.5 5
  255 0.6 6
  258 0.06 1
  261 0.5 5
  263 0.6 6
  264 1.3 13
  265 0.16 2
  266 0.6 6
  275 0.5 5
  277 0.5 5
  302 0.12 1
  304 0.5 5
  309 0.5 5
  318 0.7 7
  319 0.05 1
  320 2 20
  334 0.5 5
  348 0.7 7
  360 0.06 1
  374 0.5 5
  375 3.2 32
  376 99.99 999
  377 2.29 23
  378 2.6 26
  414 2.9 29
  415 0.8 8
  416 0.9 9
//