MassBank Record: JP002860



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

ACCESSION: JP002860
RECORD_TITLE: STIGMASTEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: STIGMASTEROL CH$COMPOUND_CLASS: N/A CH$FORMULA: C29H48O CH$EXACT_MASS: 412.37052 CH$SMILES: CC(C4([H])C(C=CC([H])(CC)C(C)C)([H])C)(C([H])1CC4)CCC(C3(C)2)(C([H])(CC=C2CC([H])(O)CC3)1)[H] CH$IUPAC: InChI=1S/C29H48O/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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a59-9720000000-02211a4df6ec5c313295 PK$NUM_PEAK: 123 PK$PEAK: m/z int. rel.int. 29 8.12 81 41 32.68 327 43 38.7 387 53 3.08 31 55 99.99 999 57 20.58 206 67 23.89 239 68 2.75 28 69 51.77 518 70 4.61 46 71 13.54 135 77 5.94 59 79 23.39 234 80 3.27 33 81 58.73 587 82 12.16 122 83 72.24 722 84 6.66 67 85 7.04 70 91 22.11 221 92 4.15 42 93 27.5 275 94 7.47 75 95 32.47 325 96 7.99 80 97 42.33 423 98 2.87 29 105 25.71 257 106 4.17 42 107 30.29 303 108 5.17 52 109 20.12 201 110 6.51 65 111 4.28 43 117 6.54 65 118 2.35 24 119 19.23 192 120 8.49 85 121 17.86 179 122 4.51 45 123 23.31 233 124 5.57 56 125 2.27 23 129 4.12 41 131 11.17 112 132 2.97 30 133 27.55 276 134 5.13 51 135 15.42 154 137 11.57 116 139 8.99 90 143 6.58 66 144 2.55 26 145 25.66 257 146 5.29 53 147 21.48 215 148 2.91 29 149 9 90 151 12.34 123 157 6.97 70 158 6.21 62 159 28.22 282 160 6.42 64 161 14.53 145 162 2.87 29 163 11.36 114 166 3.6 36 171 4.04 40 173 9.79 98 174 2.15 22 175 7.56 76 414 3.59 36 176 3.05 31 177 5.5 55 178 2.1 21 185 5.56 56 187 6.24 62 189 3.43 34 191 2.44 24 199 7.46 75 201 3.35 34 203 2.72 27 211 3.25 33 213 15.48 155 214 3.62 36 215 7.68 77 217 4.51 45 227 3.74 37 228 2.67 27 229 6.83 68 230 2.37 24 231 6.01 60 239 2.58 26 241 3.82 38 245 2.34 23 253 4.62 46 254 2.28 23 255 36.71 367 256 8.14 81 257 3.05 31 258 6.01 60 267 3.13 31 270 4.71 47 271 24.41 244 272 11 110 273 10.91 109 281 3.2 32 282 2.46 25 283 4.68 47 285 3.9 39 299 4.75 48 300 15.96 160 301 6.18 62 314 5.02 50 351 11.49 115 352 5.58 56 369 11.67 117 370 2.11 21 379 2.93 29 394 3.63 36 397 3.36 34 412 27.72 277 413 9.01 90 //