MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002816
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002816
RECORD_TITLE: CHELIDONINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: Chelidonin
CH$NAME: (+)-Chelidonine
CH$NAME: [1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bR,6S,12bS)-
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H19NO5
CH$EXACT_MASS: 353.126323
CH$SMILES: CN1CC2=C(C=CC3=C2OCO3)[C@@H]4[C@H]1C5=CC6=C(C=C5C[C@@H]4O)OCO6
CH$IUPAC: InChI=1S/C20H19NO5/c1-21-7-13-11(2-3-15-20(13)26-9-23-15)18-14(22)4-10-5-16-17(25-8-24-16)6-12(10)19(18)21/h2-3,5-6,14,18-19,22H,4,7-9H2,1H3/t14-,18-,19+/m0/s1
CH$LINK: CAS
476-32-4
CH$LINK: CHEMSPIDER
171216
CH$LINK: COMPTOX
DTXSID10878474
CH$LINK: INCHIKEY
GHKISGDRQRSCII-ZOCIIQOWSA-N
CH$LINK: PUBCHEM
CID:197810
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001r-6967000000-401df85946a1c9c43b38
PK$NUM_PEAK: 285
PK$PEAK: m/z int. rel.int.
35 2.9 29
36 18 180
37 2 20
38 0.7 7
39 16 160
40 3.5 35
41 18.5 185
42 0.23 2
43 13 130
44 30.2 302
45 27 270
46 0.96 10
47 1.4 14
48 0.1 1
50 7.1 71
51 1.41 14
52 5.6 56
53 5 50
54 2.9 29
55 1.31 13
56 7.2 72
57 11 110
58 3.1 31
59 0.01 0
60 2.1 21
61 2 20
62 5 50
63 1.21 12
64 3.9 39
65 13.1 131
66 5 50
67 0.06 1
68 3.4 34
69 8 80
70 5.9 59
71 0.69 7
72 1.8 18
73 3.2 32
74 6.1 61
75 1.22 12
76 11.6 116
77 20.4 204
78 8 80
79 0.07 1
80 2.8 28
81 6.2 62
82 5.2 52
83 0.05 1
84 2.4 24
85 3 30
86 3 30
87 1.24 12
88 12.2 122
89 16.4 164
90 4.1 41
91 1.71 17
92 5.1 51
93 8 80
94 7.9 79
95 0.72 7
96 3.5 35
97 3.6 36
98 3.8 38
99 0.39 4
100 2 20
101 7.2 72
102 7.5 75
103 0.11 1
104 10.9 109
105 4.9 49
106 4.9 49
107 0.03 0
108 6.2 62
109 5.4 54
110 6 60
111 0.04 0
112 2.2 22
113 3 30
114 3.4 34
115 0.81 8
116 4.9 49
117 9 90
118 12 120
119 0.89 9
120 4 40
121 4.9 49
122 3 30
123 0.62 6
124 3.9 39
125 3.4 34
126 3.9 39
127 0.36 4
128 3 30
129 3 30
130 10 100
131 0.69 7
132 6.9 69
133 5 50
134 3.2 32
135 1.24 12
136 3.4 34
137 9 90
138 6 60
139 0.06 1
140 2.9 29
141 3 30
142 1.9 19
143 0.22 2
144 2.2 22
145 3 30
146 10 100
147 0.1 1
148 18 180
149 19 190
150 7.2 72
151 0.88 9
152 8.7 87
153 4 40
154 2.6 26
155 0.18 2
156 1 10
157 0.4 4
158 7.2 72
159 0.6 6
160 9.4 94
161 10.4 104
162 31 310
163 0.16 2
164 8.2 82
165 9.8 98
166 4.7 47
167 0.05 1
168 1.9 19
169 1.4 14
170 1 10
171 0.16 2
172 2.9 29
173 3 30
174 10.9 109
175 2.04 20
176 40 400
177 15 150
178 8.2 82
179 0.47 5
180 2.6 26
181 2 20
182 1.9 19
183 0.18 2
184 1.2 12
185 3.4 34
186 3.6 36
187 0.72 7
188 30 300
189 19.2 192
190 11 110
191 0.06 1
192 3.2 32
193 2.4 24
194 2.2 22
195 0.02 0
196 1.4 14
199 2.4 24
200 2.4 24
201 1.09 11
202 9.2 92
203 8 80
204 9.5 95
205 0.96 10
206 5.2 52
207 3.4 34
208 2 20
209 0.22 2
210 3.4 34
211 1.2 12
212 1 10
213 0.01 0
214 4 40
215 6 60
216 7 70
217 0.89 9
218 9 90
219 6 60
220 3.4 34
221 0.03 0
222 2.6 26
223 2.4 24
224 1.9 19
225 0.01 0
226 0.1 1
229 2.4 24
230 4.6 46
231 0.42 4
232 6.5 65
233 8.7 87
234 6 60
235 0.1 1
236 5 50
237 2.6 26
238 1.4 14
239 0.04 0
244 3.9 39
245 4.1 41
246 22 220
247 1.35 14
248 5.6 56
249 3 30
250 2.4 24
251 0.02 0
252 1 10
253 0.5 5
254 0.1 1
257 0.05 1
258 2 20
259 6 60
260 10.4 104
261 0.08 1
262 6.9 69
263 8.6 86
264 10 100
265 0.03 0
266 2.9 29
267 1.5 15
272 1.4 14
273 0.21 2
274 30.6 306
275 23.6 236
276 10.2 102
277 0.35 4
278 1.6 16
279 4 40
280 2.9 29
281 0.21 2
286 1.9 19
287 2.6 26
288 4.7 47
289 0.42 4
290 5.4 54
291 5 50
292 7.2 72
293 1.12 11
294 10.8 108
295 5.4 54
296 1 10
300 0.02 0
301 1 10
302 5 50
303 38 380
304 6.67 67
305 20.6 206
306 11 110
307 4 40
308 0.57 6
309 2.4 24
310 3 30
311 1.4 14
312 0.02 0
315 1 10
316 4 40
317 28.2 282
318 1.36 14
319 5.4 54
320 15.9 159
321 6.2 62
322 0.92 9
323 5.2 52
324 2.9 29
325 2 20
329 0.09 1
330 3.5 35
331 2 20
332 99.99 999
333 8.51 85
334 34.2 342
335 48 480
336 12 120
337 0.27 3
338 2.2 22
339 0.4 4
349 0.8 8
350 0.15 2
351 4.9 49
352 6 60
353 9.7 97
354 0.29 3
355 0.9 9
//