ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002728
RECORD_TITLE: BUTYL N-TRIFLUOROACETYL 1-AMINOETHYL 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$NAME: BUTYL N-TRIFLUOROACETYL 1-AMINOETHYL PHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₃F₃NO₄P
CH$EXACT_MASS: 333.13168
CH$SMILES: CCCCOP(=O)(OCCCC)C(C)NC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C12H23F3NO4P/c1-4-6-8-19-21(18,20-9-7-5-2)10(3)16-11(17)12(13,14)15/h10H,4-9H2,1-3H3,(H,16,17)
CH$LINK: INCHIKEY KXEFGAZWYZRDOU-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$SPLASH: splash10-0019-4930000000-97d483dd9210741df1fc
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  55 2 20
  56 4.8 48
  57 6.8 68
  65 1.8 18
  69 7 70
  70 5.3 53
  72 1.4 14
  81 0.12 1
  82 8.4 84
  83 81.9 819
  91 1.2 12
  92 0.47 5
  93 1.7 17
  96 2.4 24
  97 2.1 21
  99 1.66 17
  106 1.6 16
  108 1.6 16
  109 6.5 65
  110 0.31 3
  111 1.9 19
  121 1.2 12
  122 1.9 19
  123 5.14 51
  124 8.3 83
  125 1.6 16
  126 1.4 14
  136 0.41 4
  137 8 80
  138 50.2 502
  139 99.99 999
  140 9.07 91
  141 14.8 148
  152 12.3 123
  153 1.2 12
  155 1.06 11
  165 1.6 16
  179 4.8 48
  192 1.4 14
  194 1.79 18
  195 1.8 18
  203 1.8 18
  204 27.8 278
  205 0.14 1
  206 3.1 31
  208 1.3 13
  211 5.8 58
  221 0.82 8
  222 40 400
  223 2 20
  248 1.7 17
  260 0.39 4
  264 1.3 13
  277 1.4 14
  278 6.4 64
  333 0.09 1
  334 1.5 15
  335 0.2 2
//