MassBank Record: JP002090



 STIGMAST-5-EN-3BETA-OL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP002090
RECORD_TITLE: STIGMAST-5-EN-3BETA-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ENDO K, PHARMACEUTICAL INST., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: STIGMAST-5-EN-3BETA-OL CH$NAME: BETASITOSTEROL CH$COMPOUND_CLASS: N/A CH$FORMULA: C29H50O CH$EXACT_MASS: 414.38617 CH$SMILES: C(C1)C([H])(O)CC(=C([H])4)C1(C([H])(C3([H])C4)CCC(C)(C23[H])C(CC2)([H])C(CCC([H])(CC)C(C)C)([H])C)C CH$IUPAC: InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
AC$INSTRUMENT: HITACHI M-52 AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-5947700000-fe0573c7669e97c469f5 PK$NUM_PEAK: 102 PK$PEAK: m/z int. rel.int. 18 7.3 73 28 3.7 37 41 2.4 24 43 0.73 7 55 4.9 49 57 11 110 67 3.7 37 69 0.98 10 71 9.8 98 79 2.4 24 81 11 110 83 0.73 7 85 7.3 73 91 6.1 61 93 6.1 61 94 0.24 2 95 9.8 98 96 2.4 24 97 4.9 49 105 0.49 5 106 3.7 37 107 13.4 134 108 4.9 49 109 0.61 6 111 4.9 49 118 6.1 61 119 6.1 61 120 0.73 7 121 3.7 37 122 6.1 61 123 3.7 37 124 0.37 4 131 2.4 24 133 7.3 73 134 3.7 37 135 0.73 7 145 9.8 98 146 3.7 37 147 7.3 73 149 0.49 5 151 3.7 37 158 3.7 37 159 8.5 85 160 0.73 7 161 9.8 98 163 11 110 171 2.4 24 173 0.37 4 174 2.4 24 175 2.4 24 177 3.7 37 178 0.73 7 179 2.4 24 185 4.9 49 186 2.4 24 187 0.37 4 191 4.9 49 192 2.4 24 199 3.7 37 200 0.24 2 201 3.7 37 203 2.4 24 205 3.7 37 213 1.1 11 214 3.7 37 215 4.9 49 217 2.4 24 227 0.24 2 228 3.6 36 229 3.6 36 231 9.8 98 232 0.24 2 233 3.6 36 234 3.6 36 246 3.6 36 255 1.34 13 271 2.4 24 272 3.7 37 273 15.9 159 274 0.49 5 275 4.9 49 300 4.9 49 301 3.7 37 302 0.73 7 303 24.4 244 304 6.1 61 329 18.3 183 330 0.61 6 341 2.4 24 354 2.4 24 381 13.4 134 382 0.49 5 396 26.8 268 397 8.5 85 399 13.4 134 400 1.22 12 401 4.9 49 412 8.5 85 414 99.99 999 415 3.29 33 416 14.6 146 417 3.4 34 //