MassBank Record: JP002706



 BETA-SITOSTEROL-METHYL ETHER; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002706
RECORD_TITLE: BETA-SITOSTEROL-METHYL ETHER; 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$NAME: BETA-SITOSTEROL-METHYL ETHER CH$COMPOUND_CLASS: N/A CH$FORMULA: C30H52O CH$EXACT_MASS: 428.40182 CH$SMILES: CC(C4(C(CCC([H])(C(C)C)CC)([H])C)[H])(C1)C(CC4)(C(C3)(C(C(C2)(C(=C3[H])CC(C2)(OC)[H])C)(C1)[H])[H])[H] CH$IUPAC: InChI=1S/C30H52O/c1-8-22(20(2)3)10-9-21(4)26-13-14-27-25-12-11-23-19-24(31-7)15-17-29(23,5)28(25)16-18-30(26,27)6/h11,20-22,24-28H,8-10,12-19H2,1-7H3/t21-,22-,24+,25+,26-,27+,28+,29+,30-/m1/s1
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$SPLASH: splash10-05ai-5932000000-5f2a2346b2903ef24f15 PK$NUM_PEAK: 262 PK$PEAK: m/z int. rel.int. 39 2.4 24 41 26.5 265 42 4.3 43 43 52.7 527 44 2.3 23 45 4.4 44 52 2.2 22 53 0.51 5 55 44 440 56 3.3 33 57 36.9 369 58 0.36 4 59 1.7 17 63 1.7 17 65 3.2 32 66 0.24 2 67 28.2 282 68 4.1 41 69 31.8 318 70 0.42 4 71 49.1 491 72 3.7 37 73 6.2 62 75 0.18 2 77 10.8 108 78 3.9 39 79 32.2 322 80 0.62 6 81 53.4 534 82 7.7 77 83 16.2 162 84 0.48 5 85 27.8 278 86 3.1 31 91 39.4 394 92 1.06 11 93 44.6 446 94 11 110 95 54.5 545 96 0.66 7 97 24.3 243 98 4.4 44 99 6.8 68 103 0.4 4 104 4.5 45 105 51.9 519 106 18.4 184 107 6.89 69 108 20.7 207 109 35 350 110 6.4 64 111 2.08 21 112 2.8 28 113 2.8 28 115 6.1 61 116 0.41 4 117 17.8 178 118 10 100 119 46.4 464 120 3.41 34 121 47.6 476 122 12.1 121 123 20.5 205 124 0.53 5 125 7.7 77 127 2.7 27 128 5.5 55 129 1.2 12 130 6.6 66 131 31.2 312 132 13.4 134 133 4.32 43 134 14.1 141 135 33.1 331 136 10.9 109 137 1.18 12 138 10.4 104 139 10.2 102 140 1.6 16 141 0.63 6 142 4.8 48 143 21.7 217 144 10.4 104 145 6.12 61 146 20.5 205 147 42.1 421 148 14.5 145 149 2.14 21 150 4.9 49 151 7.4 74 152 3.4 34 153 0.27 3 154 2.1 21 155 5.4 54 156 3.9 39 157 1.58 16 158 16.4 164 159 48.5 485 160 33.5 335 161 4.36 44 162 12 120 163 26.7 267 164 5.1 51 165 0.56 6 166 2.2 22 167 2 20 169 3.2 32 170 0.18 2 171 13.7 137 172 7.5 75 173 29.4 294 174 1.05 11 175 13.3 133 176 4 40 177 14.3 143 178 0.37 4 179 10.1 101 180 3.6 36 181 2.3 23 183 0.38 4 184 1.8 18 185 14.3 143 186 7.5 75 187 15.1 151 188 5 50 189 11.1 111 190 5.9 59 191 1.12 11 192 7.9 79 193 5.1 51 194 1.9 19 195 0.21 2 197 5.4 54 198 2.6 26 199 20.7 207 200 0.79 8 201 14.6 146 202 4.8 48 203 6.5 65 204 0.22 2 205 8 80 206 2.4 24 209 1.6 16 210 0.17 2 211 3.1 31 212 2.8 28 213 48.7 487 214 1.45 15 215 34.4 344 216 11.8 118 217 12.4 124 218 0.27 3 219 4.3 43 220 1.8 18 221 4.4 44 225 0.19 2 226 1.4 14 227 10.9 109 228 14.4 144 229 1.33 13 230 5.6 56 231 4.7 47 232 1.7 17 233 0.54 5 234 4.5 45 235 3.9 39 239 2.8 28 240 0.17 2 241 7.6 76 242 3 30 243 2 20 244 0.18 2 245 9.5 95 246 3.6 36 247 15.4 154 248 0.93 9 249 2.6 26 253 4.5 45 254 2.9 29 255 4.76 48 256 12.2 122 257 5.2 52 258 2 20 259 0.32 3 260 3.4 34 261 5.5 55 262 3.4 34 269 0.27 3 271 2.6 26 273 4.9 49 274 5.5 55 275 2.69 27 276 6.6 66 277 1.6 16 281 1.8 18 283 0.63 6 284 2.5 25 285 3.8 38 286 2.6 26 287 1.19 12 288 7.6 76 289 3.3 33 290 4.1 41 297 0.22 2 299 1.7 17 301 2.8 28 302 10 100 303 3.29 33 304 9.5 95 305 1.3 13 313 1.9 19 314 0.17 2 316 1.2 12 317 1.4 14 327 2.6 26 328 0.39 4 329 27.2 272 330 7.4 74 331 1.8 18 339 0.36 4 340 1 10 341 4.3 43 342 3.9 39 343 0.25 3 351 1.4 14 352 1.5 15 353 4.3 43 354 2.42 24 355 13 130 356 6.8 68 357 29.7 297 358 0.96 10 359 1.9 19 366 2.4 24 367 5.9 59 368 0.62 6 369 2.4 24 371 1.7 17 373 4.6 46 374 0.15 2 379 1.8 18 381 68.5 685 382 22.3 223 383 8.9 89 384 2.4 24 385 1.7 17 386 2.7 27 394 0.33 3 395 3.3 33 398 7.7 77 399 3.4 34 400 3 30 413 2.18 22 414 7.5 75 415 5.1 51 417 1.4 14 426 0.3 3 427 2.2 22 428 27 270 429 8.8 88 430 0.66 7 431 2.5 25 //