ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004546
RECORD_TITLE: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)BUTYLPHOSPHONATE; 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$NAME: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)BUTYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₇F₃NO₄P
CH$EXACT_MASS: 361.16298
CH$SMILES: CCCCOP(=O)(OCCCC)C(CCC)NC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C14H27F3NO4P/c1-4-7-10-21-23(20,22-11-8-5-2)12(9-6-3)18-13(19)14(15,16)17/h12H,4-11H2,1-3H3,(H,18,19)
CH$LINK: INCHIKEY HFNKBZCZJNNGKI-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$SPLASH: splash10-03di-3938000000-d36fb102c9c64b31488d
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  67 4.5 45
  68 1.2 12
  71 4 40
  72 1.62 16
  73 12.6 126
  79 0.6 6
  83 1.9 19
  84 0.24 2
  85 8.3 83
  86 0.7 7
  87 0.7 7
  93 0.08 1
  94 0.6 6
  95 3.7 37
  96 0.6 6
  98 0.05 1
  100 1.1 11
  101 1.1 11
  102 0.6 6
  108 0.07 1
  109 0.7 7
  110 1 10
  112 1.1 11
  114 1.53 15
  124 0.5 5
  126 1.3 13
  127 1.2 12
  128 0.17 2
  129 1.1 11
  131 0.5 5
  137 0.9 9
  138 0.23 2
  139 5.9 59
  140 5.4 54
  141 1.2 12
  142 0.07 1
  148 0.5 5
  149 0.5 5
  150 1.6 16
  151 0.09 1
  152 3.5 35
  153 1.9 19
  154 1.4 14
  156 0.05 1
  157 0.5 5
  163 0.8 8
  165 1.6 16
  166 0.13 1
  167 2.8 28
  168 30.6 306
  169 3.3 33
  170 0.37 4
  177 0.5 5
  179 1.9 19
  180 0.9 9
  181 0.06 1
  182 0.8 8
  184 1.9 19
  193 1.9 19
  194 0.13 1
  195 32.1 321
  196 3.2 32
  197 0.6 6
  207 0.06 1
  208 1.3 13
  209 2.5 25
  210 1.1 11
  212 0.05 1
  219 1.1 11
  221 19.5 195
  222 2.9 29
  223 0.15 2
  224 1 10
  225 0.7 7
  226 0.7 7
  227 0.05 1
  230 0.6 6
  231 0.7 7
  232 1 10
  233 0.07 1
  234 0.7 7
  235 1.8 18
  237 0.5 5
  243 0.06 1
  245 0.5 5
  246 0.6 6
  249 1.2 12
  250 0.08 1
  251 1.5 15
  252 0.5 5
  259 0.5 5
  264 0.5 5
  267 0.05 1
  288 0.9 9
  304 0.7 7
  306 1.7 17
  346 0.05 1
  348 0.8 8
  360 2 20
  362 99.99 999
  363 1.51 15
  364 2.4 24
  400 2.3 23
  402 0.7 7
  419 0.05 1
//