ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002729
RECORD_TITLE: BUTYL N-TRIFLUOROACETYL 2-N-METHYLAMINOETHYL PHOSPHONATE; 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$NAME: BUTYL N-TRIFLUOROACETYL 2-N-METHYLAMINOETHYL PHOSPHONATE
CH$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$SPLASH: splash10-0f79-0960000000-dbbe65b007d3132bd743
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  56 1.2 12
  57 1.7 17
  69 1.2 12
  82 2.3 23
  83 12.2 122
  91 1.5 15
  92 1.1 11
  94 0.35 4
  96 1.3 13
  97 1.8 18
  104 2.7 27
  109 1.09 11
  110 11.5 115
  111 8.7 87
  112 1.1 11
  120 1.82 18
  121 1.3 13
  122 30.5 305
  123 6.7 67
  124 0.11 1
  136 1.1 11
  137 4.1 41
  138 99.99 999
  139 2.13 21
  140 16.7 167
  141 1 10
  148 2.1 21
  150 0.26 3
  152 2.5 25
  153 7.2 72
  154 22.4 224
  155 0.17 2
  165 1 10
  166 4.3 43
  167 3.8 38
  168 0.16 2
  176 2 20
  178 2.2 22
  193 5.3 53
  194 4.68 47
  195 4.1 41
  196 1.3 13
  199 1.4 14
  216 0.16 2
  218 52.8 528
  219 3.1 31
  234 1 10
  235 1.37 14
  236 29.9 299
  237 2.1 21
  250 76.5 765
  251 0.95 10
  252 1.2 12
  262 2.3 23
  274 7.8 78
  291 0.43 4
  292 11.3 113
  293 1.2 12
  347 4 40
  348 0.2 2
  349 0.3 3
//