MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003853
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003853
RECORD_TITLE: CODEINE; 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$NAME: CODEINE
CH$NAME: METHYLMORPHINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H21NO3
CH$EXACT_MASS: 299.15214
CH$SMILES: CN(C5)C(C3)C([H])(C=4)C(C5)(C(C(O)C4)1)c(c23)c(c(O)cc(C)2)O1
CH$IUPAC: InChI=1S/C18H21NO3/c1-9-7-14(21)16-15-10(9)8-12-11-3-4-13(20)17(22-16)18(11,15)5-6-19(12)2/h3-4,7,11-13,17,20-21H,5-6,8H2,1-2H3/t11-,12?,13-,17-,18-/m0/s1
CH$LINK: INCHIKEY
VULIEHRIVFMVDQ-OJHGLTBHSA-N
AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-01ot-5890000000-4e0cbccaf312004d7af9
PK$NUM_PEAK: 255
PK$PEAK: m/z int. rel.int.
26 1.2 12
27 4.9 49
28 8.2 82
29 0.36 4
30 7.2 72
31 10.1 101
32 1.1 11
35 0.11 1
36 1 10
37 0.9 9
38 1.1 11
39 0.66 7
40 1.4 14
41 5.3 53
42 34.1 341
43 0.42 4
44 18 180
45 1.6 16
47 1.4 14
48 0.04 0
49 1.2 12
50 1.7 17
51 4.2 42
52 0.18 2
53 4.8 48
54 1.8 18
55 5.5 55
56 0.26 3
57 4 40
58 4.4 44
59 15 150
60 0.16 2
61 0.1 1
62 1.1 11
63 3.2 32
64 0.18 2
65 5.1 51
66 2 20
67 3 30
68 0.26 3
69 1.6 16
70 9.3 93
71 2.3 23
72 0.16 2
73 0.4 4
74 1.4 14
75 2.1 21
76 0.26 3
77 8.4 84
78 3.2 32
79 2.8 28
80 0.21 2
81 10.6 106
82 5.2 52
83 3 30
84 0.14 1
85 1.9 19
86 1.4 14
87 1.1 11
88 0.12 1
89 3.9 39
90 1.6 16
91 7.1 71
92 0.02 0
93 1.8 18
94 7.7 77
95 2.6 26
96 0.68 7
97 2.1 21
98 1 10
99 1 10
100 0.04 0
101 2.1 21
102 2.9 29
103 5.4 54
104 0.02 0
105 2.6 26
106 2 20
107 2.2 22
108 0.21 2
109 4 40
110 2 20
111 1 10
112 0.14 1
113 1.8 18
114 2.6 26
115 17 170
116 0.52 5
117 4.7 47
118 2.8 28
119 2.6 26
120 0.02 0
121 1.8 18
122 2 20
123 2 20
124 0.21 2
125 2.8 28
126 2 20
127 7.1 71
128 0.91 9
129 5.4 54
130 2.6 26
131 5.2 52
132 0.32 3
133 2.8 28
134 3.2 32
135 1.4 14
136 0.26 3
137 1.4 14
138 1.8 18
139 5.2 52
140 0.29 3
141 7.3 73
142 2.9 29
143 3.6 36
144 0.59 6
145 5 50
146 10 100
147 3.4 34
148 0.24 2
149 2 20
150 1.8 18
151 3 30
152 0.9 9
153 7.1 71
154 3 30
155 5.4 54
156 0.03 0
157 4.6 46
158 4 40
159 4.4 44
160 0.39 4
161 6.6 66
162 51.4 514
163 7.6 76
164 0.26 3
165 7.3 73
166 3.2 32
167 4 40
168 0.58 6
169 6.4 64
170 4.4 44
171 4.8 48
172 0.29 3
173 6.1 61
174 4 40
175 9 90
176 0.49 5
177 3.4 34
178 6.8 68
179 4.4 44
180 0.26 3
181 9.1 91
182 4.6 46
183 5 50
184 0.44 4
185 8 80
186 5.4 54
187 6 60
188 2.04 20
189 5.4 54
190 3.8 38
191 2.1 21
192 0.18 2
193 2.4 24
194 2.7 27
195 4.6 46
196 0.41 4
197 8.2 82
198 7.2 72
199 7.9 79
200 0.48 5
201 4.1 41
202 4.1 41
203 1.8 18
204 0.22 2
205 1.7 17
206 1.8 18
207 2.6 26
208 0.22 2
209 6.4 64
210 4.5 45
211 6.7 67
212 0.64 6
213 7.1 71
214 24.9 249
215 6.8 68
216 0.44 4
217 3.4 34
218 2.9 29
219 3.6 36
220 0.18 2
221 1.4 14
222 2 20
223 1 10
224 0.39 4
225 11 110
226 5.9 59
227 5.4 54
228 0.07 1
229 39.8 398
230 12.4 124
231 2.6 26
232 0.01 0
233 1 10
234 1.3 13
235 1.4 14
236 0.17 2
237 1.8 18
238 4 40
239 3.6 36
240 0.69 7
241 7.4 74
242 14.9 149
243 4.9 49
244 0.19 2
245 1.5 15
246 0.7 7
247 0.4 4
248 0.01 0
249 1 10
250 1.9 19
251 2 20
252 0.34 3
253 2.1 21
254 4 40
255 3.1 31
256 0.86 9
257 2.2 22
258 1.1 11
262 1.2 12
263 0.01 0
264 1.5 15
265 1.5 15
266 4.7 47
267 0.03 0
268 3 30
269 1.4 14
270 6.8 68
271 0.03 0
272 2 20
280 9.9 99
281 5 50
282 1.34 13
283 4 40
284 9.2 92
285 2.4 24
286 0.01 0
296 1 10
297 3 30
298 15.1 151
299 99.99 999
300 21.3 213
301 3 30
302 1 10
//