MassBank Record: JP002708



 CHOLESTEROL ACETATE; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002708
RECORD_TITLE: CHOLESTEROL ACETATE; 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$NAME: CHOLESTEROL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C29H48O2 CH$EXACT_MASS: 428.36543 CH$SMILES: CC(C4([H])C([H])(C)CCCC(C)C)(C([H])1CC4)CCC(C(C)32)(C([H])(CC=C2CC(OC(C)=O)(CC3)[H])1)[H] CH$IUPAC: InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1 CH$LINK: CAS 604-35-3
AC$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: splash10-014i-2933000000-06a568c5715ce75a703d PK$NUM_PEAK: 187 PK$PEAK: m/z int. rel.int. 44 1.5 15 56 4.2 42 57 4.1 41 60 1 10 65 1 10 67 7.1 71 69 6.1 61 71 0.49 5 77 4.4 44 78 1.8 18 79 10.3 103 80 0.18 2 81 21 210 82 2.6 26 83 5.2 52 85 0.1 1 91 19.9 199 92 5.8 58 93 18.2 182 94 0.47 5 95 19.2 192 96 2.1 21 97 4.8 48 103 0.22 2 104 2.7 27 105 28.5 285 106 9.9 99 107 2.58 26 108 8.7 87 109 14 140 110 2.3 23 111 0.41 4 113 1 10 115 4.7 47 116 2.8 28 117 1.28 13 118 7.7 77 119 18.6 186 120 18.6 186 121 2.23 22 122 5.7 57 123 8.4 84 124 1.3 13 125 0.21 2 127 2.5 25 128 6.8 68 129 10.8 108 130 0.56 6 131 20.8 208 132 6.1 61 133 23.7 237 134 0.71 7 135 19.9 199 136 3.6 36 137 4.1 41 138 0.1 1 139 1.3 13 141 5.1 51 142 5.6 56 143 2.07 21 144 9.7 97 145 51.1 511 146 17.7 177 147 5.36 54 148 11.9 119 149 13.6 136 150 1.4 14 151 0.39 4 152 1.8 18 153 2.1 21 154 1.2 12 155 0.54 5 156 3.2 32 157 12.5 125 158 11.6 116 159 3.06 31 160 19.5 195 161 19.9 199 162 5.6 56 163 1.17 12 164 1.9 19 165 3.6 36 166 1.5 15 167 0.14 1 168 1.7 17 169 3.3 33 170 1.7 17 171 0.86 9 172 4.2 42 173 11.6 116 174 4.8 48 175 0.69 7 176 1.8 18 177 4.3 43 178 1.6 16 179 0.27 3 181 1.1 11 182 1 10 183 2.7 27 184 0.14 1 185 9.2 92 186 4 40 187 5.1 51 188 0.15 2 189 2.4 24 191 5 50 192 1.6 16 193 0.48 5 194 1.5 15 195 1.4 14 197 4.7 47 198 0.18 2 199 11.4 114 200 6.4 64 201 9 90 202 0.23 2 203 1.4 14 204 1.1 11 205 7.4 74 206 0.66 7 207 2.4 24 209 1 10 211 2.6 26 212 2.1 21 213 32.4 324 214 10 100 215 5.5 55 216 0.19 2 217 1.5 15 219 3.2 32 220 1.4 14 225 0.11 1 226 1.2 12 227 5 50 228 8.2 82 229 0.57 6 230 1.3 13 231 1.6 16 232 1.1 11 233 0.17 2 239 1.5 15 240 1.1 11 241 3.4 34 242 0.12 1 243 1.2 12 245 6.3 63 246 5.9 59 247 4.71 47 248 11.5 115 249 1.8 18 251 1.5 15 253 0.16 2 254 1.1 11 255 35.9 359 256 8.8 88 257 0.13 1 258 1.4 14 259 4.5 45 260 25.5 255 261 0.91 9 262 1.7 17 273 1.5 15 274 3.3 33 275 0.28 3 283 4 40 284 1.7 17 287 1 10 297 0.11 1 314 4 40 315 1.7 17 325 1 10 326 0.46 5 327 1.4 14 338 1.1 11 339 2.3 23 340 0.18 2 351 1.5 15 352 1.2 12 353 43 430 354 1.25 13 355 2.2 22 364 1.3 13 366 4.3 43 367 0.29 3 368 99.99 999 369 31.8 318 370 4.9 49 //