MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003844
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003844
RECORD_TITLE: ANILERIDINE; 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$NAME: ANILERIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H28N2O2
CH$EXACT_MASS: 352.21508
CH$SMILES: CCOC(=O)C(C2)(CCN(CCc(c3)ccc(N)c3)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3
CH$LINK: COMPTOX
DTXSID8022610
CH$LINK: INCHIKEY
LKYQLAWMNBFNJT-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8944
AC$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: splash10-0002-4490000000-1f331ba53cfcca295590
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
26 0.2 2
27 0.9 9
28 1.2 12
29 0.16 2
30 1.2 12
31 1.1 11
39 1 10
40 0.01 0
41 1.8 18
42 12.4 124
43 1.5 15
44 0.16 2
45 0.4 4
50 0.2 2
51 0.7 7
52 0.06 1
53 1.1 11
54 0.8 8
55 0.7 7
56 0.19 2
57 1 10
58 0.4 4
59 2.8 28
60 0.07 1
61 0.1 1
62 0.1 1
63 0.3 3
64 0.02 0
65 1.6 16
66 0.6 6
67 1 10
68 0.13 1
69 1.7 17
70 1.6 16
71 0.4 4
72 0.04 0
76 0.1 1
77 4.1 41
78 1.4 14
79 0.16 2
80 0.9 9
81 1.2 12
83 0.6 6
84 0.02 0
85 0.2 2
86 1 10
87 0.1 1
88 0.03 0
89 0.6 6
90 0.4 4
91 6 60
92 0.01 0
93 1.4 14
94 1.1 11
95 0.3 3
96 0.01 0
97 0.1 1
98 0.1 1
99 0.4 4
100 0.01 0
101 0.3 3
102 0.8 8
103 5.2 52
104 0.17 2
105 1.7 17
106 6.5 65
107 1.1 11
111 0.01 0
112 1.4 14
113 0.1 1
114 0.1 1
115 0.33 3
116 1.6 16
117 2.5 25
118 2.4 24
119 0.24 2
120 8.8 88
121 1.2 12
126 0.1 1
127 0.09 1
128 2 20
129 2.6 26
130 1.3 13
131 0.22 2
132 0.9 9
133 0.4 4
134 0.1 1
140 0.01 0
141 0.6 6
142 0.3 3
143 1.9 19
144 0.14 1
145 1.2 12
146 0.4 4
147 0.2 2
153 0.01 0
154 0.2 2
155 0.5 5
156 0.4 4
157 0.03 0
158 2.1 21
159 0.9 9
160 0.7 7
161 0.04 0
162 0.3 3
170 0.7 7
171 1.1 11
172 0.07 1
173 2.1 21
174 2.4 24
175 0.7 7
176 0.02 0
188 0.4 4
189 0.2 2
190 3.6 36
191 0.01 0
192 0.2 2
200 0.6 6
201 0.2 2
202 0.04 0
216 0.7 7
217 0.3 3
218 7.2 72
219 0.14 1
220 0.3 3
232 0.8 8
233 0.4 4
234 0.01 0
244 1 10
245 0.6 6
246 99.99 999
247 0.18 2
248 2.4 24
249 0.4 4
276 0.2 2
277 0.14 1
278 0.8 8
279 2 20
280 0.7 7
281 0.02 0
307 1 10
308 0.4 4
309 0.1 1
350 0.01 0
351 0.6 6
352 0.5 5
353 0.5 5
354 0.04 0
355 0.2 2
//