MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006330
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006330
RECORD_TITLE: (16R)-ENT-17-METHOXYKAURAN-15-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: EGUCHI S, FAC. OF SCIENCE, HIROSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (16R)-ENT-17-METHOXYKAURAN-15-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H34O2
CH$EXACT_MASS: 318.25588
CH$SMILES: COCC([H])(C(=O)1)C([H])(C4)CC(C3)1C([H])(C4)C(C)(C2)C([H])(C3)C(C)(C)CC2
CH$IUPAC: InChI=1S/C21H34O2/c1-19(2)9-5-10-20(3)16(19)8-11-21-12-14(6-7-17(20)21)15(13-23-4)18(21)22/h14-17H,5-13H2,1-4H3/t14-,15-,16-,17+,20-,21-/m0/s1
CH$LINK: INCHIKEY
PABWEJPEEQIDES-GQDVPIKJSA-N
AC$INSTRUMENT: HITACHI RMU-7L
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: splash10-0006-9440000000-4c5ed1933aba7edcfc76
PK$NUM_PEAK: 170
PK$PEAK: m/z int. rel.int.
40 2.5 25
41 99.99 999
42 3.5 35
43 2.85 29
45 74.5 745
46 2.9 29
47 2.5 25
50 0.2 2
51 4 40
52 4.5 45
53 30 300
54 0.3 3
55 63.4 634
56 4.2 42
57 23 230
65 0.6 6
66 2.9 29
67 42 420
68 5.5 55
69 5.3 53
70 4 40
71 5.2 52
72 2.5 25
73 0.25 3
74 1.5 15
75 2.3 23
76 2.3 23
77 0.95 10
78 3.5 35
79 44 440
80 6 60
81 4.7 47
82 6.5 65
83 5.5 55
84 4 40
85 0.48 5
91 45 450
92 11 110
93 34.5 345
94 0.75 8
95 27.7 277
96 4.5 45
97 6.7 67
98 0.15 2
103 2.9 29
104 4 40
105 25.5 255
106 0.3 3
107 19.7 197
108 3.8 38
109 16.5 165
110 0.25 3
111 4 40
112 2 20
115 4.7 47
116 0.22 2
117 1.8 18
118 3.2 32
119 9 90
120 0.52 5
121 12.5 125
122 6.5 65
123 25 250
124 0.38 4
125 2 20
130 1.1 11
131 6.4 64
132 0.25 3
133 8.5 85
134 2.7 27
135 5 50
136 0.78 8
137 17 170
138 2.8 28
139 3 30
141 0.3 3
142 2 20
143 2.8 28
144 1.8 18
145 0.55 6
146 2.5 25
147 8 80
148 5.2 52
149 1.45 15
150 3 30
151 1.5 15
152 2.1 21
153 0.2 2
154 1.5 15
155 2 20
156 1.5 15
157 0.34 3
158 1.5 15
159 5.5 55
160 2.5 25
161 0.72 7
162 5.7 57
163 5 50
164 3 30
165 0.35 4
166 2.5 25
167 3.5 35
168 2.5 25
169 0.25 3
171 2.5 25
172 1 10
173 6.5 65
174 0.24 2
175 5.1 51
176 3 30
177 3.5 35
180 0.45 5
181 14.5 145
182 4.5 45
183 2.5 25
185 0.3 3
186 1 10
187 4.2 42
188 2.5 25
189 0.6 6
190 3.5 35
191 2.5 25
193 2.5 25
194 0.35 4
195 3 30
199 3 30
201 4 40
202 0.3 3
203 3 30
204 2.5 25
205 3.3 33
213 0.47 5
214 1.5 15
215 42.4 424
216 9 90
217 0.31 3
218 13.1 131
219 3 30
223 3.5 35
229 0.15 2
230 85 850
231 21 210
232 4 40
243 1.1 11
244 5 50
253 10.9 109
254 3.5 35
255 0.5 5
256 2.1 21
257 8 80
258 5.8 58
259 0.45 5
268 7 70
269 1.5 15
271 5 50
272 0.35 4
273 15.5 155
274 5.7 57
275 4.5 45
285 0.9 9
286 29 290
287 9.2 92
288 5.4 54
300 0.55 6
303 16 160
304 4.5 45
317 3 30
318 4.75 48
319 6.5 65
320 1 10
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