MassBank Record: JP002859



 STIGMASTERONE; EI-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: JP002859
RECORD_TITLE: STIGMASTERONE; 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$NAME: STIGMASTERONE CH$COMPOUND_CLASS: N/A CH$FORMULA: C29H46O CH$EXACT_MASS: 410.35487 CH$SMILES: CC(C4([H])C(C=CC([H])(CC)C(C)C)([H])C)(C([H])3CC4)CCC(C([H])23)([H])C(C)(C1=CC2)CCC(C1)=O CH$IUPAC: InChI=1S/C29H46O/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/h8-10,19-21,24-27H,7,11-18H2,1-6H3/b9-8+/t20-,21-,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: splash10-060v-9740000000-df02c88c4f3507e8267e PK$NUM_PEAK: 123 PK$PEAK: m/z int. rel.int. 29 12.87 129 41 41.37 414 43 48.89 489 53 3.85 39 55 99.99 999 56 3.43 34 57 23.16 232 67 25.61 256 68 3.08 31 69 56.28 563 70 2.77 28 71 12.81 128 77 9.13 91 79 23.72 237 80 3.74 37 81 55.86 559 82 9.66 97 83 44.94 449 84 6.25 63 85 5.52 55 91 18.11 181 92 2.1 21 93 29.24 292 94 7.78 78 95 39.02 390 96 9.29 93 97 42.08 421 98 3 30 105 20.4 204 106 4.27 43 107 24.21 242 108 6.4 64 109 24.32 243 110 4.25 43 111 8.64 86 117 4.25 43 119 14.11 141 120 5.73 57 121 21.58 216 122 11.47 115 123 32.37 324 124 56.11 561 125 7.95 80 129 2.16 22 131 8.34 83 133 16.07 161 134 6.19 62 135 21.29 213 136 5.87 59 137 17.05 171 138 2.77 28 139 2.1 21 143 2.84 28 145 9.85 99 146 3.23 32 147 25.38 254 148 11.04 110 149 24.15 242 150 2.87 29 151 4.15 42 157 4.16 42 159 8.97 90 160 2.31 23 161 13.96 140 162 3.11 31 163 7.66 77 171 2.73 27 173 7.41 74 174 3.9 39 175 10.64 106 176 2.73 27 177 5.37 54 185 3.51 35 187 7.09 71 189 4.07 41 191 2.14 21 201 5.79 58 203 5.6 56 211 2.82 28 213 3.31 33 215 6.16 62 217 2.87 29 227 5.16 52 229 24.06 241 230 6.77 68 231 7.06 71 243 8.56 86 244 4.32 43 245 19 190 246 3.44 34 253 12.59 126 254 2.61 26 255 4.02 40 256 7.21 72 257 7.68 77 260 4.98 50 261 8.01 80 268 6.32 63 269 28.05 281 270 16.54 165 271 47.91 479 272 12.06 121 273 2.2 22 281 3.41 34 283 6.41 64 285 2.44 24 297 10.59 106 298 18.66 187 299 11.31 113 300 3.23 32 312 5.67 57 313 4.19 42 327 2.23 22 342 5.3 53 349 2.88 29 367 17.61 176 368 8.45 85 369 2.43 24 384 13.86 139 385 2.45 25 410 20.04 200 411 6.54 65 412 3.48 35 //