MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008179
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008179
RECORD_TITLE: ISOFUCOSTEROL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: ISOFUCOSTEROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C29H48O
CH$EXACT_MASS: 412.37052
CH$SMILES: CC(C4([H])C([H])(C)CCC(=CC)C(C)C)(C([H])3CC4)CCC(C([H])23)([H])C(C)(C1=CC2)CCC(C1)O
CH$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/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
CH$LINK: CAS
17605-67-3
CH$LINK: INCHIKEY
OSELKOCHBMDKEJ-JUGJNGJRSA-N
AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-03di-3589000000-2cb2e378478814cf2589
PK$NUM_PEAK: 106
PK$PEAK: m/z int. rel.int.
28 1.48 15
41 3.2 32
43 2.89 29
55 8.23 82
56 1.19 12
57 1.7 17
67 2.46 25
69 6.82 68
79 2.23 22
81 4.62 46
82 3.25 33
83 5.34 53
91 2.23 22
93 2.85 29
94 1.09 11
95 4.49 45
97 3.26 33
98 1.46 15
105 3.16 32
107 4.14 41
108 1.21 12
109 2.85 29
110 1.18 12
111 1.19 12
117 1.04 10
119 2.47 25
120 2.29 23
121 2.75 28
123 1.94 19
131 2.31 23
132 1.19 12
133 3.33 33
134 1.32 13
135 2.2 22
137 1.32 13
143 1.77 18
144 1.18 12
145 4.22 42
146 1.2 12
147 2.67 27
149 1.29 13
157 1.69 17
158 3.4 34
159 3.96 40
160 1.68 17
161 3.02 30
163 1.44 14
171 1.7 17
172 1 10
173 2.17 22
174 1 10
175 2.03 20
176 2.65 27
177 1.23 12
185 1.72 17
186 1.13 11
187 1.83 18
188 1.2 12
189 1.81 18
190 1.01 10
197 1.39 14
199 2.09 21
201 1.42 14
202 2.22 22
203 2.23 22
211 4.61 46
212 1.56 16
213 4.8 48
214 2.05 21
215 1.92 19
217 1.23 12
225 1.18 12
227 1.71 17
228 2.87 29
229 15.17 152
230 4.02 40
231 5.44 54
232 2.62 26
239 1.04 10
241 1.12 11
245 1.29 13
246 2.27 23
253 1.6 16
254 1.11 11
255 2.4 24
256 1.32 13
257 1.07 11
258 2.46 25
270 1.62 16
271 8.14 81
272 4.19 42
273 1.21 12
281 14.53 145
282 3.56 36
283 1.11 11
296 8.84 88
297 2.44 24
299 16.95 170
300 5.7 57
301 1.51 15
314 99.99 999
315 24.73 247
316 3.23 32
397 1.65 17
412 11.31 113
413 3.75 38
//