MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002776
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002776
RECORD_TITLE: PHENINDAMINE; 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$NAME: PHENINDAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H19N
CH$EXACT_MASS: 261.15175
CH$SMILES: CN(C4)CC(=C(C4)1)C(c(c3)cccc3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C19H19N/c1-20-12-11-16-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-10,19H,11-13H2,1H3
CH$LINK: INCHIKEY
ISFHAYSTHMVOJR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0023452
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: splash10-03di-3390000000-7cea42f060f24de790da
PK$NUM_PEAK: 194
PK$PEAK: m/z int. rel.int.
26 1.1 11
27 2.8 28
28 4.2 42
29 0.07 1
30 1.3 13
32 0.3 3
36 0.3 3
38 0.02 0
39 2.4 24
40 0.8 8
41 2 20
42 3.48 35
43 2.9 29
44 13.7 137
45 0.3 3
50 0.08 1
51 2.8 28
52 0.7 7
53 0.3 3
54 0.03 0
55 0.5 5
56 1.7 17
57 25 250
58 0.43 4
59 0.1 1
62 0.8 8
63 2.1 21
64 0.01 0
65 1.2 12
66 0.1 1
67 0.5 5
68 0.06 1
69 0.1 1
70 1.2 12
71 0.2 2
72 0.01 0
73 0.2 2
74 0.5 5
75 1.1 11
76 0.01 0
77 1.9 19
78 0.8 8
79 0.1 1
82 0.04 0
83 0.1 1
84 0.2 2
86 2.8 28
87 0.11 1
88 1.1 11
89 1.9 19
90 0.3 3
91 0.28 3
92 0.2 2
93 0.1 1
94 5.2 52
95 0.08 1
96 0.1 1
98 0.1 1
99 0.5 5
100 0.08 1
101 2.8 28
102 0.8 8
103 1 10
104 0.02 0
105 0.3 3
106 0.1 1
107 0.8 8
108 0.11 1
109 0.2 2
110 0.3 3
112 0.1 1
113 0.01 0
114 0.8 8
115 5.8 58
116 1.4 14
117 0.05 1
118 0.2 2
119 0.1 1
121 0.3 3
122 0.03 0
123 0.3 3
125 0.1 1
126 0.9 9
127 0.15 2
128 1.3 13
129 0.8 8
130 0.9 9
131 0.03 0
137 0.2 2
138 0.1 1
139 3 30
140 0.18 2
141 5.6 56
142 1.3 13
143 0.8 8
144 0.03 0
145 0.3 3
146 0.1 1
149 0.3 3
150 0.01 0
151 1.5 15
152 2.3 23
153 1.1 11
154 0.07 1
156 0.4 4
157 0.3 3
158 0.3 3
162 0.03 0
163 1.8 18
164 1 10
165 4.1 41
166 0.19 2
167 3.1 31
168 3 30
169 1.8 18
170 0.21 2
171 0.2 2
172 0.1 1
174 0.3 3
175 0.07 1
176 1.9 19
177 1 10
178 2.3 23
179 0.22 2
180 1.8 18
181 2.1 21
182 12.2 122
183 1.11 11
184 16.3 163
185 2.9 29
186 0.3 3
187 0.13 1
188 1.8 18
189 5.9 59
190 2.8 28
191 0.04 0
192 1.2 12
193 0.8 8
194 0.3 3
195 0.01 0
196 1.1 11
197 0.1 1
199 0.4 4
200 0.28 3
201 2.9 29
202 25.5 255
203 19 190
204 0.71 7
205 3.3 33
206 1.1 11
207 0.1 1
208 0.01 0
210 0.1 1
211 0.2 2
212 0.5 5
213 0.39 4
214 1.9 19
215 13.2 132
216 6.4 64
217 2.07 21
218 18.8 188
219 3.9 39
220 1.2 12
221 0.02 0
222 0.1 1
226 0.8 8
227 1.1 11
228 0.17 2
229 1.8 18
230 1.1 11
231 1.5 15
232 0.17 2
233 0.9 9
234 0.4 4
235 0.1 1
240 0.09 1
241 1.5 15
242 2.7 27
243 2.8 28
244 0.23 2
245 1.5 15
246 1.8 18
247 2.1 21
248 0.08 1
249 2.2 22
250 0.2 2
256 0.2 2
257 0.31 3
258 4.3 43
259 2.8 28
260 99.99 999
261 7.73 77
262 14.9 149
263 1.8 18
//
system version 2.2.8-SNAPSHOT