ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004558
RECORD_TITLE: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)PROPYLPHOSPHONATE; 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$NAME: DIBUTYL 1-(N-TRIFLUOROACETYLAMINO)PROPYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₅F₃NO₄P
CH$EXACT_MASS: 347.14733
CH$SMILES: CCCCOP(=O)(OCCCC)C(CC)NC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C13H25F3NO4P/c1-4-7-9-20-22(19,21-10-8-5-2)11(6-3)17-12(18)13(14,15)16/h11H,4-10H2,1-3H3,(H,17,18)
CH$LINK: INCHIKEY DOBUKKUNTRWKHT-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$SPLASH: splash10-0002-2927000000-2f8d8eb0b412cf10b22b
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  61 1.2 12
  66 0.7 7
  67 1.6 16
  70 2.5 25
  71 11 110
  72 4.3 43
  73 2.1 21
  82 0.08 1
  83 5 50
  84 3.2 32
  85 3 30
  89 0.08 1
  91 0.5 5
  93 0.8 8
  94 0.5 5
  96 0.13 1
  100 2.2 22
  101 1.7 17
  102 0.6 6
  114 2.14 21
  125 1.6 16
  126 1.1 11
  127 0.9 9
  128 0.12 1
  129 0.8 8
  133 0.5 5
  136 1.5 15
  138 0.34 3
  139 8.6 86
  140 3.6 36
  141 1.2 12
  142 0.05 1
  150 0.7 7
  151 1.2 12
  152 1.4 14
  153 0.59 6
  154 43 430
  155 3.7 37
  156 3.4 34
  157 0.05 1
  163 0.7 7
  164 0.5 5
  165 1.9 19
  166 0.07 1
  167 1.6 16
  168 1.2 12
  169 0.6 6
  170 0.31 3
  179 2 20
  180 0.6 6
  181 1.9 19
  192 0.06 1
  193 1.9 19
  194 3.3 33
  195 38.2 382
  196 0.4 4
  197 0.7 7
  207 8.9 89
  208 1.3 13
  209 0.3 3
  210 0.9 9
  211 1.5 15
  212 1 10
  218 0.07 1
  219 1.2 12
  221 4.9 49
  222 0.7 7
  230 0.08 1
  232 0.7 7
  233 1 10
  235 2.2 22
  236 0.14 1
  237 2.1 21
  238 0.6 6
  243 0.6 6
  245 0.09 1
  251 0.8 8
  257 0.5 5
  261 0.5 5
  274 0.1 1
  290 0.7 7
  292 2.6 26
  293 0.5 5
  332 0.1 1
  334 0.7 7
  346 1.7 17
  348 99.99 999
  349 1.93 19
  350 2.2 22
  386 2.5 25
  388 1.1 11
//