ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004547
RECORD_TITLE: DIBUTYL 3-METHYL-1-(N-TRIFLUOROACETYLAMINO)BUTYLPHOSPHONATE; 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$NAME: DIBUTYL 3-METHYL-1-(N-TRIFLUOROACETYLAMINO)BUTYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₉F₃NO₄P
CH$EXACT_MASS: 375.17863
CH$SMILES: CCCCOP(=O)(OCCCC)C(CC(C)C)NC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C15H29F3NO4P/c1-5-7-9-22-24(21,23-10-8-6-2)13(11-12(3)4)19-14(20)15(16,17)18/h12-13H,5-11H2,1-4H3,(H,19,20)
CH$LINK: INCHIKEY XOWFAIAZFLPNQE-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$SPLASH: splash10-000i-2920000000-c7ca2b7793092f3e08e3
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  69 5.2 52
  82 3.4 34
  83 55.5 555
  96 0.18 2
  97 1.4 14
  99 4.4 44
  106 1.4 14
  109 0.4 4
  110 4.9 49
  111 1.4 14
  114 2.4 24
  122 0.28 3
  123 20.1 201
  124 1.6 16
  126 3.9 39
  137 0.34 3
  138 54.4 544
  139 99.99 999
  140 25.5 255
  141 0.18 2
  150 6.4 64
  151 2.5 25
  152 1 10
  155 0.37 4
  164 1.9 19
  165 3 30
  166 7.6 76
  178 0.15 2
  179 3.8 38
  180 5.6 56
  181 1.1 11
  182 1.23 12
  183 2 20
  189 1.7 17
  194 15.6 156
  195 0.39 4
  202 1.2 12
  206 3.8 38
  207 16.7 167
  208 1.67 17
  211 3.6 36
  220 6.9 69
  246 8.8 88
  248 0.33 3
  263 3.3 33
  264 21.4 214
  265 1.8 18
  276 0.2 2
  302 2.4 24
  304 1 10
  319 6.6 66
  320 0.4 4
  332 3.5 35
  370 0.5 5
  375 0.5 5
  376 2.8 28
//