MassBank Record: JP002710



 STIGMASTA-5,24(28)-DIEN-3-OL ACETATE; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002710
RECORD_TITLE: STIGMASTA-5,24(28)-DIEN-3-OL 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$NAME: STIGMASTA-5,24(28)-DIEN-3-OL ACETATE CH$NAME: FUCOSTEROL ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C31H50O2 CH$EXACT_MASS: 454.38108 CH$SMILES: C(C)(=O)OC(C4)CC(C3(C)C4)=CCC(C([H])23)(C(C1)([H])C(CC2)(C(C1)C(C)CCC(=CC)C(C)C)C)[H] CH$IUPAC: InChI=1S/C31H50O2/c1-8-23(20(2)3)10-9-21(4)27-13-14-28-26-12-11-24-19-25(33-22(5)32)15-17-30(24,6)29(26)16-18-31(27,28)7/h8,11,20-21,25-29H,9-10,12-19H2,1-7H3/b23-8-/t21-,25+,26+,27-,28+,29+,30+,31-/m1/s1 CH$LINK: CAS 51297-12-2
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$SPLASH: splash10-0002-5950000000-75ecb8e883695d41567a PK$NUM_PEAK: 179 PK$PEAK: m/z int. rel.int. 39 2.2 22 40 1.6 16 41 13.4 134 42 2.5 25 43 20 200 44 1.7 17 45 3.4 34 53 0.41 4 54 1.2 12 55 40.6 406 56 3.4 34 57 0.48 5 60 2.2 22 65 2.3 23 66 1.1 11 67 1.54 15 68 3.7 37 69 25.7 257 70 2.9 29 71 0.3 3 77 6.5 65 78 1.7 17 79 16.8 168 80 0.26 3 81 33.1 331 82 5.9 59 83 15.4 154 84 0.22 2 85 2.1 21 91 22.8 228 92 6 60 93 2.26 23 94 4.7 47 95 23.4 234 96 3.2 32 97 1.45 15 98 2.3 23 103 2.5 25 104 2.6 26 105 2.91 29 106 8.9 89 107 24.1 241 108 7.9 79 109 1.69 17 110 3.7 37 111 5.3 53 115 4.3 43 116 0.23 2 117 11.2 112 118 5.8 58 119 15.5 155 120 1.53 15 121 19.5 195 122 5.4 54 123 8.4 84 124 0.16 2 125 1.6 16 127 1.1 11 128 4.5 45 129 0.82 8 130 5 50 131 17.1 171 132 5.9 59 133 1.79 18 134 6.2 62 135 11.5 115 136 2.3 23 137 0.62 6 138 3.5 35 139 1.6 16 141 4.7 47 142 0.38 4 143 17.6 176 144 7.7 77 145 33.7 337 146 1.25 13 147 23.3 233 148 7 70 149 6.7 67 151 0.19 2 152 1 10 153 1.3 13 154 1.2 12 155 0.4 4 156 2.6 26 157 11.6 116 158 12.6 126 159 1.94 19 160 9.6 96 161 18.1 181 162 4.7 47 163 0.45 5 164 1.5 15 165 2.9 29 167 1.8 18 169 0.32 3 170 2.7 27 171 7.3 73 172 4.2 42 173 1.07 11 174 4 40 175 10.8 108 176 3.3 33 177 0.3 3 178 1.5 15 179 1.4 14 181 1.4 14 183 0.38 4 184 1.9 19 185 7.3 73 186 3.4 34 187 0.6 6 188 4.6 46 189 7.6 76 190 2.3 23 191 0.2 2 193 1.7 17 195 1.8 18 197 7.9 79 198 0.37 4 199 9.2 92 200 3.7 37 201 4.7 47 202 2.3 23 209 1.7 17 211 10.8 108 212 4.1 41 213 2.42 24 214 8.6 86 215 4.3 43 216 1.5 15 217 0.16 2 225 3.3 33 226 2.8 28 227 8.4 84 228 1.28 13 229 5 50 230 1.1 11 231 1.1 11 239 0.38 4 240 2.3 23 241 3.4 34 242 1.6 16 243 0.36 4 244 1.1 11 252 1.5 15 253 17.8 178 254 0.81 8 255 12.8 128 256 3.4 34 257 1.6 16 266 0.11 1 267 3.1 31 268 1.9 19 269 2 20 271 0.25 3 272 1.6 16 273 9.5 95 274 2.9 29 281 2.73 27 282 9 90 283 5.1 51 284 1.7 17 285 0.15 2 286 3.9 39 287 2.2 22 295 2.2 22 296 99.99 999 297 27.4 274 298 3.3 33 352 2.1 21 379 1.22 12 380 4 40 392 2.4 24 393 1 10 394 3.32 33 395 11.2 112 396 2.2 22 203 3.4 34 //