MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003069
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003069
RECORD_TITLE: (E)-2-1-(4-METHYLPHENYL)-3-(1-PYRROLIDINYL)-1-PROPENYL-PYRIDINE; 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$NAME: (E)-2-1-(4-METHYLPHENYL)-3-(1-PYRROLIDINYL)-1-PROPENYL-PYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H22N2
CH$EXACT_MASS: 278.17830
CH$SMILES: Cc(c3)ccc(c3)C(=C([H])CN(C2)CCC2)c(c1)nccc1
CH$IUPAC: InChI=1S/C19H22N2/c1-16-7-9-17(10-8-16)18(19-6-2-3-12-20-19)11-15-21-13-4-5-14-21/h2-3,6-12H,4-5,13-15H2,1H3/b18-11+
CH$LINK: INCHIKEY
CBEQULMOCCWAQT-WOJGMQOQSA-N
CH$LINK: COMPTOX
DTXSID3023718
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: splash10-0a4i-2690000000-a4b47440bb135b0a9add
PK$NUM_PEAK: 173
PK$PEAK: m/z int. rel.int.
38 3.1 31
39 0.7 7
40 4.8 48
41 0.9 9
42 1.9 19
43 0.3 3
50 0.3 3
51 0.39 4
52 1.9 19
53 1.9 19
54 7.4 74
55 0.19 2
56 0.5 5
57 0.5 5
61 0.7 7
62 0.21 2
63 0.8 8
64 2.9 29
65 0.9 9
66 0.09 1
67 1.3 13
68 1.2 12
69 3.8 38
70 0.01 0
73 0.1 1
74 0.9 9
75 1 10
76 0.13 1
77 2.9 29
78 6.4 64
79 2.9 29
80 0.24 2
81 0.5 5
82 1.9 19
83 6.9 69
84 1.79 18
85 1.3 13
86 0.3 3
87 0.1 1
88 0.08 1
89 3.7 37
90 1.9 19
91 2.9 29
92 0.11 1
93 6 60
94 1.5 15
95 0.3 3
96 1.49 15
97 2.7 27
98 0.1 1
101 1.1 11
102 0.33 3
103 4.2 42
104 4.2 42
105 3.3 33
106 0.02 0
107 0.1 1
108 0.1 1
109 0.8 8
110 0.19 2
111 0.9 9
114 1.1 11
115 5.3 53
116 0.37 4
117 11.9 119
118 7.4 74
119 1.9 19
120 0.01 0
124 1.3 13
125 0.1 1
126 0.9 9
127 0.26 3
128 4 40
129 3.2 32
130 2.9 29
131 0.35 4
132 1.3 13
133 1.3 13
134 0.9 9
138 0.17 2
139 2.9 29
140 1.2 12
141 1.5 15
142 0.01 0
143 1 10
144 2 20
145 1.8 18
146 0.01 0
147 0.8 8
151 1.5 15
152 2.9 29
153 0.17 2
154 1.7 17
155 1.1 11
156 1.7 17
157 0.22 2
158 2.2 22
159 1.7 17
160 0.7 7
163 0.01 0
164 1.2 12
165 3.3 33
166 2.5 25
167 0.64 6
168 1.9 19
169 0.4 4
170 1 10
171 0.11 1
172 2.9 29
173 5.6 56
174 1.4 14
176 0.07 1
177 1.5 15
178 2.9 29
179 2.9 29
180 0.89 9
181 11.9 119
182 6.9 69
183 4.9 49
184 0.19 2
185 1.9 19
186 2.4 24
187 1.9 19
188 0.01 0
189 0.3 3
190 2.9 29
191 9.4 94
192 1.04 10
193 22.4 224
194 19.4 194
195 3.4 34
196 1.34 13
197 3.4 34
198 1.4 14
199 0.8 8
200 1.74 17
201 3.4 34
202 0.1 1
203 0.3 3
204 0.54 5
205 4.9 49
206 17.4 174
207 36.7 367
208 9.15 92
209 99.99 999
210 16.9 169
211 1.9 19
217 0.03 0
218 1.1 11
219 1.9 19
220 2.9 29
221 1.69 17
222 5.4 54
223 1.9 19
224 0.4 4
232 0.04 0
233 0.4 4
234 1.9 19
235 2.9 29
236 0.04 0
246 0.4 4
247 1.4 14
248 1.9 19
249 0.19 2
262 0.4 4
263 1.4 14
275 0.7 7
276 0.25 3
277 6.5 65
278 58.5 585
279 15.6 156
280 0.25 3
281 0.1 1
//