MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009510
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009510
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 30 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-2910000000-dc8caf3905a76d1dc259
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
17 3.15 32
18 15.45 155
27 1.64 16
28 12.5 125
29 5.18 52
32 2.8 28
39 1.54 15
41 8.3 83
42 1.57 16
43 7.2 72
44 2.83 28
45 2.38 24
55 6.65 67
56 1.83 18
57 31.54 315
58 2.66 27
67 3.36 34
68 1.05 11
69 2.9 29
71 3.38 34
73 2.86 29
74 3.21 32
77 1.16 12
79 3.47 35
80 2.53 25
81 7.46 75
82 1.22 12
83 1.89 19
84 2.08 21
85 5.93 59
87 1.54 15
89 4.08 41
91 5.8 58
92 1.5 15
93 4.09 41
95 1.9 19
97 2.84 28
103 1.77 18
105 17.14 171
106 3.12 31
107 2.81 28
108 1.54 15
109 1.39 14
111 1.18 12
115 3.01 30
116 1.14 11
117 6.46 65
118 5.96 60
119 6.96 70
120 1.5 15
121 1.27 13
126 2.68 27
127 1.62 16
128 4.37 44
129 8.52 85
130 3.94 39
131 13.22 132
132 5.44 54
133 3.45 35
141 4.14 41
142 7.65 77
143 25.5 255
144 10.65 107
145 12.59 126
146 3.2 32
147 1.71 17
155 9.15 92
156 12.11 121
157 78.05 781
158 27.13 271
159 99.99 999
160 16.01 160
161 4.57 46
165 1.01 10
167 1.43 14
169 19.14 191
170 11.52 115
171 12.45 125
172 47.07 471
173 18.05 181
174 6.42 64
175 1.91 19
179 1.08 11
181 2.07 21
182 1.62 16
183 15.58 156
184 3.59 36
185 4.97 50
186 1.49 15
187 1.22 12
195 2.23 22
196 2.29 23
197 16.52 165
198 70.76 708
199 21.59 216
200 12.15 122
201 3.45 35
202 1.46 15
209 3.62 36
210 21.15 212
211 3.83 38
212 1.16 12
213 1.59 16
215 1.02 10
223 2.38 24
224 20.84 208
225 5.96 60
226 1.08 11
227 1.07 11
233 3.64 36
238 2.88 29
239 1.02 10
242 1.81 18
243 1.19 12
251 2.59 26
256 1.21 12
269 4.93 49
284 11.86 119
285 3.25 33
286 1.59 16
287 2.68 27
302 10.83 108
303 2.78 28
304 2.22 22
404 2.81 28
//