MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002859
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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
CH$LINK: INCHIKEY
XWDAKKDQJHVMKG-LPJPOILFSA-N
AC$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
//