ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004538
RECORD_TITLE: (N-TRIFLUOROACETYLAMINO)METHYLPHOSPHONIC ACID DIBUTYL ESTER; 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$NAME: (N-TRIFLUOROACETYLAMINO)METHYLPHOSPHONIC ACID DIBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₁F₃NO₄P
CH$EXACT_MASS: 319.11603
CH$SMILES: CCCCOP(=O)(OCCCC)CNC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C11H21F3NO4P/c1-3-5-7-18-20(17,19-8-6-4-2)9-15-10(16)11(12,13)14/h3-9H2,1-2H3,(H,15,16)
CH$LINK: INCHIKEY DGEWAUAVZKJTCG-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$SPLASH: splash10-0a4r-2960000000-1946ea9923708f838896
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  56 1.2 12
  57 4.8 48
  65 1.8 18
  69 0.4 4
  78 4.5 45
  82 4.1 41
  83 28 280
  84 0.54 5
  86 3.3 33
  94 6.5 65
  95 1.9 19
  96 0.27 3
  97 3.2 32
  98 1 10
  99 13.2 132
  106 0.16 2
  109 68.6 686
  110 10.5 105
  111 2.4 24
  112 0.27 3
  113 3.5 35
  119 1.2 12
  121 1.3 13
  122 0.86 9
  123 6.1 61
  124 1.2 12
  125 1.3 13
  126 8.23 82
  127 26.1 261
  128 1.4 14
  136 1.2 12
  137 3.89 39
  138 75.7 757
  139 18.6 186
  140 1.6 16
  150 0.15 2
  155 3.5 35
  165 2 20
  169 1.4 14
  178 0.46 5
  187 8.1 81
  188 1.2 12
  189 2.2 22
  190 9.53 95
  191 5.7 57
  192 1.4 14
  194 13.1 131
  195 0.1 1
  199 1.4 14
  206 1.8 18
  207 99.99 999
  208 9.88 99
  209 13.8 138
  210 2.9 29
  211 1.5 15
  234 0.69 7
  235 1.8 18
  236 2.2 22
  246 9.2 92
  250 0.95 10
  251 1 10
  263 7.1 71
  264 52.4 524
  265 0.43 4
  320 13.4 134
  321 1.7 17
//