MassBank Record: JP002705



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

ACCESSION: JP002705
RECORD_TITLE: FUCOSTEROL 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$NAME: FUCOSTEROL METHYL ETHER CH$COMPOUND_CLASS: N/A CH$FORMULA: C30H50O CH$EXACT_MASS: 426.38617 CH$SMILES: C(C4)=C(C1)C(C(C34[H])([H])CCC(C32[H])(C(CC2)(C(CCC(=CC)C(C)C)([H])C)[H])C)(CCC1OC)C CH$IUPAC: InChI=1S/C30H50O/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/h8,11,20-21,24-28H,9-10,12-19H2,1-7H3/b22-8+/t21-,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$SPLASH: splash10-0a6s-4963000000-73cb250cce52f08ca758 PK$NUM_PEAK: 212 PK$PEAK: m/z int. rel.int. 39 1.5 15 41 16.3 163 43 9.5 95 45 0.29 3 53 4.1 41 54 1.3 13 55 51.2 512 56 0.36 4 57 5.9 59 58 1.5 15 65 2.3 23 66 0.15 2 67 19.6 196 68 4.6 46 69 33.4 334 70 0.34 3 71 19.2 192 72 1.8 18 73 3.3 33 77 0.76 8 78 2 20 79 22.3 223 80 3.1 31 81 3.2 32 82 5.4 54 83 17.5 175 84 2.4 24 85 0.34 3 86 1 10 91 24.9 249 92 5.6 56 93 2.54 25 94 5.6 56 95 29.1 291 96 3.9 39 97 2.5 25 98 3.9 39 99 1.5 15 103 1.8 18 104 0.23 2 105 30.3 303 106 8 80 107 32.3 323 108 0.83 8 109 20.2 202 110 4.2 42 111 9.1 91 112 0.11 1 115 3.6 36 116 2.3 23 117 11.8 118 118 0.55 6 119 27 270 120 17.8 178 121 22.2 222 122 0.56 6 123 12.5 125 124 2.6 26 126 2.8 28 127 0.12 1 128 3.3 33 129 7.5 75 130 4.6 46 131 1.89 19 132 6.5 65 133 23 230 134 7.7 77 135 1.55 16 136 3.7 37 137 8 80 138 4.6 46 139 0.39 4 141 3.3 33 142 2.9 29 143 14 140 144 0.66 7 145 30.9 309 146 9.3 93 147 19.8 198 148 0.5 5 149 8.2 82 150 1.9 19 151 3.4 34 152 0.16 2 153 1 10 155 3.7 37 156 3.7 37 157 1.15 12 158 12.8 128 159 26.6 266 160 12.3 123 161 2.01 20 162 4.5 45 163 7.7 77 164 2 20 165 0.28 3 169 4 40 170 1.8 18 171 10.8 108 172 0.56 6 173 14.4 144 174 6.1 61 175 9.2 92 176 0.37 4 177 4.7 47 178 1.8 18 179 1.1 11 183 0.38 4 184 1.7 17 185 10.3 103 186 4.8 48 187 0.86 9 188 3.9 39 189 8.9 89 190 3.8 38 191 0.31 3 192 1.3 13 193 1.2 12 197 5.9 59 198 0.33 3 199 11.6 116 200 4.9 49 201 7.5 75 202 0.47 5 203 9 90 204 2.7 27 205 1.5 15 209 0.1 1 211 17 170 212 5.6 56 213 27.5 275 214 1.16 12 215 8 80 216 2.3 23 217 3.3 33 218 0.1 1 225 4.6 46 226 2.7 27 227 11 110 228 1.27 13 229 12 120 230 2.9 29 231 3.3 33 232 0.13 1 233 1.5 15 239 5 50 240 3.7 37 241 0.51 5 242 3.1 31 243 15.2 152 244 5.1 51 245 0.82 8 246 4.8 48 247 1.4 14 253 11.6 116 254 0.72 7 255 16.5 165 256 5.6 56 257 6.4 64 258 0.23 2 259 3.2 32 260 4 40 261 1 10 266 0.11 1 267 5 50 268 3 30 269 2 20 270 0.21 2 271 2.5 25 272 2.8 28 273 4.8 48 274 0.14 1 281 41.1 411 282 10.7 107 283 5 50 284 0.32 3 285 14.2 142 286 6.6 66 287 2.6 26 295 0.17 2 296 48 480 297 13.3 133 298 2.2 22 299 0.23 2 300 2.2 22 301 4.5 45 302 1 10 313 2.35 24 314 6.8 68 315 1 10 327 4.1 41 328 99.99 999 329 26.1 261 330 3.1 31 339 1 10 351 0.1 1 352 3.9 39 353 2.9 29 354 1 10 355 0.35 4 365 1.1 11 366 1.1 11 379 12.6 126 380 0.42 4 392 1.2 12 394 9.9 99 395 3.8 38 411 0.56 6 412 1.7 17 424 1.3 13 426 4.1 41 427 1.2 12 //