MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003874
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003874
RECORD_TITLE: IMIPRAMINE; 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$NAME: IMIPRAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H24N2
CH$EXACT_MASS: 280.19395
CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
CH$LINK: INCHIKEY
BCGWQEUPMDMJNV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1043881
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$SPLASH: splash10-0019-7490000000-3fb4d40b6a219f088ec8
PK$NUM_PEAK: 192
PK$PEAK: m/z int. rel.int.
29 3.8 38
31 1.4 14
33 0.3 3
34 0.23 2
35 20.4 204
36 0.9 9
37 6.4 64
38 0.29 3
39 0.3 3
40 0.6 6
41 4.9 49
42 0.07 1
43 8.1 81
44 6.9 69
45 0.9 9
46 0.01 0
50 0.3 3
51 1.9 19
52 0.9 9
53 0.12 1
54 0.8 8
55 3.3 33
56 3.7 37
57 0.97 10
58 78.9 789
59 4.1 41
60 0.3 3
62 0.04 0
63 1.1 11
64 0.4 4
65 3.1 31
66 0.01 0
67 0.9 9
68 0.7 7
69 2.9 29
70 0.99 10
71 6.9 69
72 3.7 37
73 0.7 7
74 0.01 0
75 0.9 9
76 0.8 8
77 3.6 36
78 0.19 2
79 1.2 12
80 0.7 7
81 1.5 15
82 0.01 0
83 2.3 23
84 7.9 79
85 62.9 629
86 0.69 7
87 0.8 8
89 2.9 29
90 2 20
91 1.09 11
92 2 20
93 1.1 11
94 0.6 6
95 0.09 1
96 0.7 7
97 1.4 14
98 1.2 12
99 0.09 1
100 0.2 2
101 0.7 7
102 1.3 13
103 0.17 2
104 2.8 28
105 3.8 38
106 3.9 39
107 0.24 2
108 0.3 3
109 1.1 11
110 0.6 6
111 0.11 1
112 1.2 12
113 0.9 9
115 2.2 22
116 0.02 0
117 4.9 49
118 4.7 47
119 2.9 29
120 0.13 1
121 0.4 4
125 0.5 5
126 0.9 9
127 0.25 3
128 2 20
129 3.7 37
130 14.1 141
131 0.29 3
132 1.3 13
133 0.5 5
134 0.9 9
135 0.09 1
136 0.1 1
139 1.1 11
140 4.3 43
141 0.09 1
142 1.3 13
143 1.3 13
144 1.4 14
145 0.05 1
148 0.1 1
149 1.6 16
150 0.4 4
151 0.13 1
152 1.9 19
153 0.9 9
154 1.1 11
155 0.11 1
156 0.8 8
157 0.1 1
158 0.1 1
159 0.14 1
160 0.1 1
161 0.1 1
162 0.5 5
163 0.07 1
164 0.9 9
165 4.9 49
166 2.6 26
167 0.39 4
168 1.1 11
169 0.9 9
170 0.1 1
175 0.03 0
176 0.9 9
177 0.9 9
178 5.4 54
179 0.59 6
180 3.9 39
181 1.1 11
182 0.4 4
183 0.01 0
185 0.4 4
187 0.1 1
188 0.1 1
189 0.09 1
190 1.5 15
191 3.9 39
192 6.9 69
193 2.39 24
194 18.4 184
195 29.4 294
196 4.9 49
197 0.11 1
198 0.5 5
199 0.9 9
200 0.1 1
202 0.06 1
203 0.9 9
204 3.9 39
205 2.3 23
206 0.91 9
207 3.4 34
208 20.3 203
209 5.9 59
210 0.15 2
211 0.4 4
212 0.9 9
213 0.7 7
216 0.03 0
217 1.1 11
218 2.9 29
219 2.3 23
220 1.14 11
221 2.9 29
222 4.9 49
223 1.1 11
224 0.01 0
232 1.1 11
233 5.4 54
234 64.9 649
235 99.99 999
236 16.9 169
237 1.9 19
238 0.4 4
247 0.01 0
248 0.7 7
249 1.4 14
250 0.3 3
251 0.01 0
264 0.1 1
265 0.6 6
266 0.1 1
279 0.01 0
280 48.9 489
281 10.4 104
282 1.3 13
283 0.3 3
//
system version 2.2.6-SNAPSHOT