MassBank Record: JP001876



 HEXAFLUOROISOPROPYL 3ALPHA-TRIFLUOROACETOXY-12-OXO-5BETA-CHOLAN-24-OATE; EI-B; MS 
Mass Spectrum
Chemical Structure

ACCESSION: 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 //