MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000168
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000168
RECORD_TITLE: KUWANON-G; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUKUSHIMA K, INST. FOR CHEMOBIODYNAMICS, CHIBA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: KUWANON-G
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C40H36O11
CH$EXACT_MASS: 692.22576
CH$SMILES: c(c6)(cc(c(c6)C(C(C1(c(c5)c(O)cc(O)c5)[H])([H])C(c(c32)c(cc(c2C(C(=C(c(c4)c(O)cc(O)c4)O3)CC=C(C)C)=O)O)O)C=C(C)C1)=O)O)O
CH$IUPAC: InChI=1S/C40H36O11/c1-18(2)4-8-26-38(50)36-33(48)17-32(47)35(40(36)51-39(26)25-11-7-22(43)16-31(25)46)28-13-19(3)12-27(23-9-5-20(41)14-29(23)44)34(28)37(49)24-10-6-21(42)15-30(24)45/h4-7,9-11,13-17,27-28,34,41-48H,8,12H2,1-3H3/t27-,28-,34-/m1/s1
CH$LINK: INCHIKEY
APPXYONGBIXGRO-QPFJYYDMSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
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: splash10-0ik9-7932000000-d1fcc8d92623ba859276
PK$NUM_PEAK: 160
PK$PEAK: m/z int. rel.int.
50 11.65 117
51 21.45 215
52 8.56 86
53 22.11 221
54 19.07 191
55 4.24 42
56 11.84 118
58 9.19 92
59 5.84 58
60 9.05 91
61 3.76 38
62 6.07 61
63 18.45 185
64 15.41 154
65 12.94 129
66 5.2 52
68 5.66 57
69 2.2 22
70 1.72 17
72 2.62 26
73 15.07 151
74 5.39 54
75 2.56 26
76 4.63 46
77 15.84 158
78 10.6 106
79 6.77 68
80 5.76 58
81 6.41 64
82 13.91 139
87 4.6 46
89 4.98 50
90 3.59 36
91 10.85 109
92 3.65 37
94 3.92 39
98 4.13 41
100 4.74 47
101 4.16 42
102 3.95 40
103 4.6 46
104 5.95 60
105 3.65 37
106 2.23 22
107 5.61 56
108 2.67 27
110 99.99 999
114 3.15 32
115 15.81 158
116 3.67 37
120 3.57 36
121 1.78 18
122 6.18 62
123 1.12 11
128 10.85 109
129 7.06 71
130 1.4 14
131 1.29 13
132 2.58 26
134 17.33 173
135 1.5 15
136 2.92 29
137 8.92 89
138 1.28 13
139 3.89 39
141 7.47 75
143 2.67 27
144 1.48 15
146 1.85 19
147 7.06 71
148 2.45 25
149 37.58 376
150 4.25 43
152 6.53 65
153 6.77 68
156 1.66 17
157 5.16 52
158 2.91 29
160 1.88 19
161 9.65 97
162 14.32 143
163 2.67 27
164 1.45 15
165 2.59 26
171 3.11 31
174 1.99 20
176 3.02 30
177 1.82 18
179 1.09 11
181 3.83 38
184 5.5 55
185 6.55 66
186 4.32 43
187 3 30
189 2.5 25
191 1.74 17
195 1.2 12
197 5.65 57
198 3.1 31
199 2.67 27
200 4.21 42
201 2.77 28
202 3.41 34
203 7.06 71
205 2.73 27
211 8.65 87
212 4.6 46
213 12.55 126
214 2.27 23
215 1.45 15
218 1.28 13
219 1.01 10
226 17.68 177
227 7.42 74
228 8.56 86
229 3.98 40
231 1.02 10
233 1.06 11
242 1.28 13
243 1.06 11
253 1.5 15
255 5.08 51
256 3.32 33
257 1.97 20
262 2.24 22
265 1.53 15
278 13.93 139
279 5 50
281 3.98 40
283 1.15 12
285 1.77 18
295 1.61 16
297 8.01 80
298 3.34 33
299 7.74 77
300 1.7 17
311 34.76 348
312 6.85 69
316 1.37 14
319 1.15 12
321 3.49 35
335 1.66 17
337 4.85 49
338 1.72 17
339 1.58 16
353 1.4 14
354 17.66 177
355 4.25 43
363 1.63 16
377 4.06 41
379 2.02 20
405 14.43 144
406 4.85 49
407 1.31 13
420 6.75 68
421 1.21 12
422 1.21 12
539 2.23 22
582 4.38 44
583 1.06 11
//