ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001876
RECORD_TITLE: HEXAFLUOROISOPROPYL 3ALPHA-TRIFLUOROACETOXY-12-OXO-5BETA-CHOLAN-24-OATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: HEXAFLUOROISOPROPYL 3ALPHA-TRIFLUOROACETOXY-12-OXO-5BETA-CHOLAN-24-OATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₉H₃₇F₉O₅
CH$EXACT_MASS: 636.24973
CH$SMILES: N/A
CH$IUPAC: N/A

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$SPLASH: splash10-0a5i-7922002000-b385ba4a31502ac76687
PK$NUM_PEAK: 161
PK$PEAK: m/z int. rel.int.
  41 20.6 206
  42 2.7 27
  43 30.3 303
  45 2.7 27
  50 2.3 23
  51 2.1 21
  53 10 100
  54 9 90
  55 90 900
  56 4.7 47
  57 5 50
  65 3.2 32
  66 2.9 29
  67 44.4 444
  68 7.8 78
  69 28.8 288
  70 1.9 19
  71 1.9 19
  79 10.3 103
  80 5.6 56
  81 57.9 579
  82 11.8 118
  83 24.3 243
  84 2.2 22
  91 28.5 285
  92 6.3 63
  93 49.1 491
  94 11.5 115
  95 42.1 421
  96 3.8 38
  97 8.4 84
  98 1.5 15
  99 2.3 23
  101 1 10
  103 1.6 16
  104 1.1 11
  105 29.7 297
  106 8.8 88
  107 46.9 469
  108 13 130
  109 55.5 555
  110 9.4 94
  111 3.5 35
  113 1.8 18
  114 1 10
  115 3.3 33
  116 1.3 13
  117 4.6 46
  118 2.2 22
  119 19.5 195
  120 7.8 78
  121 79 790
  122 15.1 151
  123 33.3 333
  124 7.1 71
  125 2.9 29
  128 2.3 23
  129 3.5 35
  130 1.1 11
  131 9.1 91
  132 2.6 26
  133 15.2 152
  134 4.9 49
  135 32 320
  136 7.5 75
  142 1.8 18
  143 4 40
  144 1.5 15
  145 13.5 135
  146 3.3 33
  147 26.2 262
  148 6.9 69
  149 34.3 343
  150 5.8 58
  151 4.7 47
  156 1.6 16
  157 3 30
  158 1.4 14
  159 1.8 18
  160 1.5 15
  161 10.7 107
  162 3.5 35
  163 12.3 123
  164 3 30
  171 3.2 32
  173 5.6 56
  174 1.1 11
  175 7.3 73
  176 1.3 13
  177 3.8 38
  178 1.4 14
  179 1 10
  181 1.4 14
  183 1.3 13
  185 3 30
  187 4.5 45
  189 7.6 76
  190 2.8 28
  191 3.3 33
  192 1.4 14
  193 1.2 12
  195 2.1 21
  197 1.5 15
  199 2.8 28
  201 2.9 29
  203 8.2 82
  209 4.4 44
  210 1.5 15
  213 7.4 74
  214 1.7 17
  221 1.8 18
  225 1.1 11
  227 2 20
  229 7.6 76
  230 2.4 24
  231 59.4 594
  232 11.7 117
  235 1.8 18
  243 1.4 14
  245 1.3 13
  251 6.1 61
  253 2.3 23
  257 2.6 26
  271 6.3 63
  272 1 10
  290 6.5 65
  309 2.6 26
  317 1.6 16
  331 3.3 33
  339 3.2 32
  341 1.4 14
  343 3.5 35
  344 1.5 15
  345 59.8 598
  346 11.4 114
  355 8.7 87
  356 2.1 21
  357 1 10
  358 3 30
  359 2 20
  360 3.4 34
  367 3.6 36
  369 1.1 11
  371 4 40
  372 3.5 35
  385 14.9 149
  386 3.5 35
  399 4.4 44
  414 1.2 12
  415 3.1 31
  427 3.1 31
  469 5.8 58
  470 1.3 13
  479 1.1 11
  505 1.8 18
  522 8.2 82
  523 3.2 32
  618 4.7 47
  636 99.99 999
  637 31.4 314
  638 5.8 58
//