MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009511
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009511
RECORD_TITLE: MEVINOLINE; 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$NAME: MEVINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H36O5
CH$EXACT_MASS: 404.25627
CH$SMILES: CCC([H])(C)C(=O)OC(C3)C([H])(C1=CC(C)3)C(CCC(C2)OC(=O)CC(O)2)C(C)C=C1
CH$IUPAC: InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
CH$LINK: CAS
75330-75-5
CH$LINK: INCHIKEY
PCZOHLXUXFIOCF-BXMDZJJMSA-N
CH$LINK: COMPTOX
DTXSID5020784
AC$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: splash10-0a4j-1910000000-8aeacab386a420581150
PK$NUM_PEAK: 116
PK$PEAK: m/z int. rel.int.
18 1.22 12
27 2.13 21
28 2.07 21
29 6.63 66
39 2.13 21
41 8.86 89
42 2.43 24
43 2.67 27
44 3.89 39
45 2.86 29
55 4.61 46
56 1.94 19
57 19.87 199
58 2.33 23
67 1.88 19
69 1.68 17
71 2.46 25
73 3.22 32
74 4.67 47
77 1.52 15
79 2.33 23
80 2.03 20
81 4.05 41
83 1.1 11
84 1.45 15
85 4.43 44
87 1.66 17
89 4.04 40
91 5.01 50
92 1.1 11
93 2.3 23
95 1.21 12
97 1.9 19
103 1.54 15
105 10.16 102
106 2.19 22
107 1.79 18
108 1.3 13
115 3.21 32
116 1.21 12
117 4.19 42
118 4.37 44
119 4.07 41
120 1.23 12
126 2.76 28
127 1.59 16
128 4.23 42
129 6.1 61
130 2.7 27
131 7.38 74
132 4.25 43
133 2.16 22
141 3.07 31
142 4.71 47
143 16.21 162
144 7.35 74
145 8.56 86
146 2.37 24
147 1.25 13
155 6.87 69
156 10.93 109
157 72.15 722
158 26.93 269
159 95.11 951
160 16.45 165
161 4.65 47
169 16.54 165
170 11.68 117
171 9.62 96
172 56.63 566
173 17.5 175
174 7.72 77
175 1.92 19
181 1.49 15
182 1.21 12
183 13.09 131
184 3.28 33
185 4.8 48
186 1.49 15
195 1.74 17
196 2.32 23
197 17.82 178
198 99.99 999
199 24.51 245
200 15.98 160
201 3.9 39
202 2.07 21
209 3.08 31
211 3.93 39
212 1.39 14
213 1.55 16
214 1.23 12
223 1.72 17
224 25.09 251
225 7.17 72
226 1.26 13
227 1.09 11
233 3.05 31
238 3.45 35
239 1 10
242 2.26 23
243 1.35 14
251 2.31 23
256 1.38 14
269 5.46 55
270 1.2 12
284 15.8 158
285 4.41 44
286 2.1 21
287 3.98 40
300 1.07 11
302 19.65 197
303 4.95 50
304 4.39 44
404 5.89 59
405 1.95 20
//