ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004543
RECORD_TITLE: DIBUTYL 2-(N-TRIFLUOROACETYL-N-METHYLAMINO)ETHYLPHOSPHONATE; 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$NAME: DIBUTYL 2-(N-TRIFLUOROACETYL-N-METHYLAMINO)ETHYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₅F₃NO₄P
CH$EXACT_MASS: 347.14733
CH$SMILES: CCCCOP(=O)(OCCCC)CCN(C)C(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C13H25F3NO4P/c1-4-6-9-20-22(19,21-10-7-5-2)11-8-17(3)12(18)13(14,15)16/h4-11H2,1-3H3
CH$LINK: INCHIKEY ZXYLUWVQGVTPHW-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$SPLASH: splash10-0fe0-0940000000-c5a6051b252ffd3ad642
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  69 1.2 12
  81 1.1 11
  82 2.9 29
  83 1.73 17
  91 2.5 25
  92 1.6 16
  93 1.1 11
  94 0.54 5
  96 1.8 18
  97 2.6 26
  104 3.9 39
  106 0.1 1
  109 14.4 144
  110 16.7 167
  111 12.5 125
  112 0.14 1
  120 24 240
  121 1.6 16
  122 46.9 469
  123 0.83 8
  124 1.4 14
  136 1.3 13
  137 4.9 49
  138 99.99 999
  139 23.7 237
  140 17.6 176
  148 2.2 22
  150 0.26 3
  152 2.8 28
  153 6.3 63
  154 21.5 215
  155 0.16 2
  165 1 10
  166 4.2 42
  167 4 40
  168 0.18 2
  176 2.3 23
  178 3.6 36
  193 4.3 43
  194 5.11 51
  195 4.3 43
  196 1.1 11
  199 1.1 11
  216 0.18 2
  218 42.2 422
  219 2.6 26
  235 14.5 145
  236 3.61 36
  237 2.2 22
  250 79.5 795
  251 9.9 99
  252 0.12 1
  262 2.4 24
  274 7.1 71
  291 5.8 58
  292 1.96 20
  293 2 20
  347 10.2 102
  348 5.1 51
  349 0.7 7
//