MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005041
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005041
RECORD_TITLE: 6,6'-BIQUINOLINE; 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$NAME: 6,6'-BIQUINOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H12N2
CH$EXACT_MASS: 256.10005
CH$SMILES: c(c4)nc(c3)c(c4)cc(c3)c(c1)cc(c2)c(ncc2)c1
CH$IUPAC: InChI=1S/C18H12N2/c1-3-15-11-13(5-7-17(15)19-9-1)14-6-8-18-16(12-14)4-2-10-20-18/h1-12H
CH$LINK: INCHIKEY
CCKFFRXAFQLLDF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID10347372
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-8890000000-ff724b677e72bf88b38f
PK$NUM_PEAK: 189
PK$PEAK: m/z int. rel.int.
17 7.3 73
18 22 220
26 3.8 38
29 0.85 9
30 1.6 16
31 1.6 16
38 2.2 22
39 0.81 8
40 2.6 26
41 14.4 144
42 6.3 63
43 1.33 13
45 2.6 26
46 1.5 15
50 2.8 28
51 0.41 4
52 2.6 26
53 3.1 31
54 3.2 32
55 1.22 12
56 5.4 54
57 7.8 78
58 1.8 18
59 0.15 2
60 4.3 43
61 1.9 19
62 1.5 15
63 0.35 4
64 1.8 18
65 2.6 26
66 1.8 18
67 0.65 7
68 4.3 43
69 6.6 66
70 3.8 38
71 0.41 4
72 2.2 22
73 4.4 44
74 2.6 26
75 0.43 4
76 3.4 34
77 4.4 44
78 3.4 34
79 0.37 4
80 2.9 29
81 4.7 47
82 3.4 34
83 0.54 5
84 4.1 41
85 3.4 34
86 1.5 15
87 0.29 3
88 3.7 37
88.5 1.8 18
89 2.9 29
90 0.15 2
91 4.8 48
92 2.5 25
93 2.9 29
94 0.18 2
95 4 40
96 2.9 29
97 5 50
98 0.5 5
99 2.6 26
100 6.3 63
100.5 2.2 22
101 0.71 7
101.5 2.2 22
102 3.8 38
103 2.6 26
104 0.19 2
105 2.4 24
106 1.5 15
107 2.5 25
108 0.22 2
109 2.8 28
110 2.5 25
111 3.4 34
112 0.22 2
113 2.6 26
113.5 2.8 28
114 6.9 69
114.5 0.26 3
115 3.1 31
116 1.8 18
117 2.1 21
118 0.15 2
119 2.1 21
120 1.5 15
121 2.2 22
122 0.15 2
123 2.2 22
124 2.4 24
125 2.5 25
126 0.26 3
127 3.5 35
127.5 3.1 31
128 12.6 126
128.5 0.29 3
129 4 40
130 1.8 18
131 1.9 19
132 0.12 1
133 2.2 22
134 1.5 15
135 2.2 22
136 0.19 2
137 2.2 22
138 1.9 19
139 2.2 22
140 0.19 2
141 1.9 19
142 1.8 18
143 2.2 22
144 0.15 2
145 1.3 13
146 1.2 12
147 1.7 17
148 0.15 2
149 2.1 21
150 2.2 22
151 2.2 22
152 0.2 2
154 2.1 21
155 2.5 25
156 3.2 32
157 0.25 3
161 1.5 15
162 1.9 19
163 1.9 19
164 0.22 2
165 2.2 22
166 2.1 21
167 1.8 18
168 0.16 2
169 1.8 18
170 1.2 12
171 1.8 18
172 0.12 1
173 1.5 15
174 1.8 18
175 2.9 29
176 0.24 2
177 2.6 26
178 2.1 21
179 1.9 19
180 0.15 2
181 1.6 16
182 1.2 12
183 2.4 24
184 0.35 4
185 1.9 19
187 1.3 13
188 1.5 15
189 0.19 2
190 1.9 19
191 1.9 19
192 1.5 15
193 0.13 1
194 1.6 16
195 1.6 16
196 1.6 16
197 0.16 2
198 7.8 78
199 12.2 122
200 18.7 187
201 1.22 12
202 22.6 226
203 2.6 26
204 6.2 62
220 0.46 5
221 1.6 16
225 1.8 18
226 2.9 29
227 0.63 6
228 6.2 62
229 3.5 35
230 1.8 18
231 0.15 2
232 1.8 18
251 1.2 12
252 1.8 18
253 0.5 5
254 7.9 79
255 33.5 335
256 99.99 999
257 2.09 21
258 2.9 29
//