ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002727
RECORD_TITLE: BUTYL N-TRIFLUOROACETYL 1-AMINOBUTYLPHOSPHONATE; 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$NAME: BUTYL N-TRIFLUOROACETYL 1-AMINOBUTYLPHOSPHONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₇F₃NO₄P
CH$EXACT_MASS: 361.16298
CH$SMILES: CCCCOP(=O)(OCCCC)C(CCC)NC(=O)C(F)(F)F
CH$IUPAC: InChI=1S/C14H27F3NO4P/c1-4-7-10-21-23(20,22-11-8-5-2)12(9-6-3)18-13(19)14(15,16)17/h12H,4-11H2,1-3H3,(H,18,19)
CH$LINK: INCHIKEY HFNKBZCZJNNGKI-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$SPLASH: splash10-0019-4910000000-9728f40f1630ac7c2678
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
  55 8.3 83
  56 5.9 59
  57 4.9 49
  65 1.4 14
  69 5.4 54
  70 2 20
  72 1.3 13
  78 0.15 2
  82 6.2 62
  83 69.4 694
  96 2.6 26
  97 0.17 2
  98 2.7 27
  99 6 60
  106 1.2 12
  109 0.45 5
  110 3.9 39
  111 1.3 13
  114 5.1 51
  122 0.21 2
  123 17 170
  124 1.5 15
  126 22.5 225
  127 0.1 1
  134 1.2 12
  136 3.1 31
  137 6.9 69
  138 4.41 44
  139 99.99 999
  140 8.3 83
  141 1.1 11
  149 0.17 2
  150 4.4 44
  151 2.8 28
  152 5.7 57
  154 0.1 1
  155 3.8 38
  164 1.7 17
  165 1.5 15
  166 0.39 4
  167 2.2 22
  168 24.7 247
  169 3.7 37
  179 0.32 3
  180 3.4 34
  189 3.2 32
  194 9.7 97
  195 0.18 2
  202 1 10
  206 3.8 38
  207 9.1 91
  208 0.69 7
  211 2.9 29
  220 3.7 37
  232 9.5 95
  249 0.13 1
  250 11.3 113
  264 3.5 35
  288 1.7 17
  306 0.22 2
  319 1.4 14
  361 0.4 4
  362 0.2 2
//