MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003106
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003106
RECORD_TITLE: PIMINODINE ALVODINE,PIMADIN,CIMAPON; 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$NAME: PIMINODINE ALVODINE,PIMADIN,CIMAPON
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C23H30N2O2
CH$EXACT_MASS: 366.23073
CH$SMILES: CCOC(=O)C(C2)(CCN(CCCNc(c3)cccc3)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C23H30N2O2/c1-2-27-22(26)23(20-10-5-3-6-11-20)14-18-25(19-15-23)17-9-16-24-21-12-7-4-8-13-21/h3-8,10-13,24H,2,9,14-19H2,1H3
CH$LINK: INCHIKEY
PXXKIYPSXYFATG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60159149
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: splash10-00kb-5792000000-c357eeb2e44edf434cc2
PK$NUM_PEAK: 209
PK$PEAK: m/z int. rel.int.
25 0.2 2
26 1.4 14
27 1.6 16
28 0.29 3
29 1.9 19
30 0.4 4
39 1.8 18
40 0.04 0
41 2.6 26
42 14 140
43 6 60
44 0.47 5
45 0.4 4
50 2.6 26
51 2 20
52 0.04 0
53 1.7 17
54 1.4 14
55 2 20
56 0.74 7
57 7.8 78
58 1.8 18
59 2.4 24
60 0.04 0
61 0.1 1
62 0.1 1
63 0.7 7
64 0.04 0
65 2.4 24
66 1.2 12
67 1 10
68 0.22 2
69 2 20
70 8 80
71 6.5 65
72 0.14 1
73 0.1 1
74 0.2 2
75 0.2 2
76 0.01 0
77 10 100
78 2.8 28
79 3.9 39
80 0.16 2
81 0.7 7
82 6.1 61
83 3.8 38
84 0.27 3
85 0.8 8
86 1 10
87 0.1 1
88 0.01 0
89 1 10
90 0.9 9
91 10 100
92 0.22 2
93 2.1 21
94 1 10
95 1.9 19
96 0.34 3
97 10.4 104
98 1.9 19
99 0.9 9
100 0.02 0
101 0.2 2
102 1.3 13
103 9.7 97
104 0.06 1
105 3.2 32
106 24 240
107 4 40
108 0.08 1
109 0.4 4
110 1 10
111 1.1 11
112 0.12 1
115 5.4 54
116 4 40
117 4.8 48
118 0.45 5
119 3.6 36
120 4.9 49
121 1.1 11
122 0.01 0
123 0.1 1
124 0.2 2
125 0.4 4
126 0.05 1
127 1.5 15
128 3 30
129 4.6 46
130 0.36 4
131 6.1 61
132 14.9 149
133 18 180
134 0.32 3
135 0.8 8
140 1.4 14
141 1.4 14
142 0.01 0
143 3 30
144 2.1 21
145 2 20
146 0.03 0
147 0.7 7
148 0.2 2
149 0.9 9
154 0.06 1
155 1.1 11
156 1.7 17
157 1 10
158 1.08 11
159 2.7 27
160 4 40
161 1.7 17
162 0.11 1
163 0.8 8
164 0.2 2
165 1 10
166 0.04 0
167 0.2 2
168 1.2 12
169 1.1 11
170 0.1 1
171 1.7 17
172 9.4 94
173 3.5 35
174 0.84 8
175 3.7 37
176 1.2 12
177 1 10
181 0.02 0
182 0.6 6
183 0.4 4
184 1.9 19
185 0.01 0
186 1.4 14
187 1.9 19
188 1.6 16
189 0.11 1
190 3.4 34
191 1 10
192 0.8 8
193 0.04 0
196 0.4 4
197 0.2 2
198 1.4 14
199 0.01 0
200 4.6 46
201 1.4 14
202 2.2 22
203 0.01 0
204 1.2 12
205 0.4 4
214 0.4 4
215 0.02 0
216 0.9 9
217 1 10
218 9.9 99
219 0.21 2
220 0.9 9
221 1.9 19
230 0.7 7
231 0.2 2
232 0.12 1
233 6.1 61
234 16.2 162
235 3.1 31
236 0.01 0
237 0.2 2
238 0.1 1
243 0.2 2
244 1.47 15
245 3.7 37
246 99.99 999
247 19 190
248 0.24 2
249 1 10
258 5.2 52
259 2.2 22
260 1.72 17
261 4 40
262 1 10
263 0.4 4
272 0.02 0
273 4.9 49
274 14 140
275 3.2 32
276 0.11 1
277 0.4 4
290 0.2 2
291 1.6 16
292 0.04 0
293 2.1 21
294 0.7 7
295 0.2 2
304 0.01 0
305 0.9 9
306 0.2 2
322 0.11 1
323 0.2 2
351 0.4 4
364 0.4 4
365 0.01 0
366 53.2 532
367 15 150
368 2.2 22
369 0.06 1
370 0.2 2
//