MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002815
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002815
RECORD_TITLE: NARCOTINE; 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$NAME: NARCOTINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H23NO7
CH$EXACT_MASS: 413.14745
CH$SMILES: CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
CH$IUPAC: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
CH$LINK: INCHIKEY
AKNNEGZIBPJZJG-MSOLQXFVSA-N
CH$LINK: COMPTOX
DTXSID4023385
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: splash10-00di-6690000000-eb22e6a1457516efbef3
PK$NUM_PEAK: 169
PK$PEAK: m/z int. rel.int.
25 0.2 2
26 1.4 14
27 2.4 24
28 1.61 16
29 2.7 27
30 2 20
31 0.9 9
32 0.32 3
35 0.9 9
36 4.1 41
37 1 10
38 0.17 2
39 4.9 49
40 1 10
41 4.9 49
42 0.08 1
43 2.9 29
44 5.4 54
45 0.8 8
49 0.04 0
50 2.9 29
51 6.1 61
52 2 20
53 0.21 2
54 0.8 8
55 3.4 34
56 1.4 14
57 0.31 3
58 0.9 9
59 0.4 4
60 0.4 4
61 0.09 1
62 2 20
63 4.1 41
64 2.2 22
65 0.41 4
66 1.7 17
67 2.1 21
68 0.9 9
69 0.18 2
70 1.8 18
71 1.4 14
72 0.2 2
73 0.09 1
74 1.8 18
75 2.7 27
76 3.1 31
77 0.92 9
78 4.7 47
79 3.9 39
80 1.4 14
81 0.02 0
82 1 10
83 1.4 14
84 0.9 9
85 0.11 1
86 0.4 4
87 0.2 2
88 0.4 4
89 0.03 0
90 2.9 29
91 5.2 52
92 3 30
93 0.24 2
94 1.7 17
95 2 20
96 0.9 9
97 0.12 1
98 0.4 4
99 0.1 1
100 0.2 2
101 0.04 0
102 1.8 18
103 1.4 14
104 2.6 26
105 0.05 1
106 2.6 26
107 2.9 29
108 1.2 12
109 0.01 0
110 0.2 2
111 0.1 1
113 0.1 1
114 0.02 0
115 1 10
116 1.3 13
117 2.6 26
118 0.59 6
119 5.4 54
120 5 50
121 4.2 42
122 0.04 0
123 1.4 14
124 0.2 2
125 0.1 1
127 0.02 0
128 0.4 4
129 0.9 9
130 1.8 18
131 0.19 2
132 2.1 21
133 2.6 26
134 2 20
135 0.29 3
136 1.4 14
137 0.4 4
142 0.1 1
143 0.02 0
144 0.4 4
145 1.4 14
146 2 20
147 0.97 10
148 6 60
149 4 40
150 3.1 31
151 0.12 1
152 0.4 4
153 0.2 2
157 0.2 2
158 0.22 2
159 1.4 14
160 1.6 16
161 1.1 11
162 0.14 1
163 4.6 46
164 1.1 11
165 5.9 59
166 0.01 0
167 0.4 4
168 0.2 2
173 0.4 4
174 0.14 1
175 1.9 19
176 5.7 57
177 5 50
178 0.84 8
179 1.8 18
180 0.2 2
185 0.7 7
186 0.04 0
187 0.4 4
188 2.2 22
189 1.4 14
190 0.16 2
191 1.2 12
192 0.9 9
193 2.6 26
194 0.41 4
195 1.1 11
196 0.2 2
197 0.2 2
202 0.04 0
203 4.9 49
204 2.8 28
205 24.7 247
206 0.42 4
207 1.2 12
208 0.2 2
209 0.2 2
210 0.01 0
211 0.4 4
217 0.8 8
218 5 50
219 0.03 0
220 99.99 999
221 18.2 182
222 2.6 26
223 0.09 1
413 0.2 2
//