MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003071
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003071
RECORD_TITLE: HYDROXYZINE TRANQUIZINE; 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$NAME: HYDROXYZINE TRANQUIZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H27ClN2O2
CH$EXACT_MASS: 374.17611
CH$SMILES: OCCOCCN(C3)CCN(C3)C(c(c2)cccc2)c(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2
CH$LINK: INCHIKEY
ZQDWXGKKHFNSQK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8023137
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: splash10-0udi-6491000000-95c46c16c2b29900f4d9
PK$NUM_PEAK: 193
PK$PEAK: m/z int. rel.int.
26 0.8 8
27 2.5 25
28 8 80
29 0.37 4
30 3.1 31
31 1.7 17
32 1 10
36 0.15 2
38 0.7 7
39 1.1 11
41 2.5 25
42 1.53 15
43 4.2 42
44 8.3 83
45 24 240
46 0.06 1
50 0.1 1
51 0.5 5
52 0.2 2
53 0.03 0
54 1.8 18
55 4.9 49
56 17.9 179
57 0.33 3
58 14.9 149
59 1 10
63 0.7 7
65 0.08 1
66 0.1 1
67 0.3 3
68 1.8 18
69 0.15 2
70 4.9 49
71 2.3 23
72 4.8 48
73 0.19 2
74 0.8 8
75 1.9 19
76 0.1 1
77 0.01 0
78 0.1 1
79 0.1 1
80 0.3 3
81 0.08 1
82 1.6 16
83 2 20
84 3.6 36
85 0.28 3
86 1.8 18
87 8.8 88
88 0.9 9
89 0.11 1
90 0.2 2
91 2.1 21
92 0.3 3
94 0.02 0
96 0.1 1
97 2.9 29
98 4.9 49
99 0.02 0
100 1.6 16
101 0.4 4
102 0.4 4
103 0.06 1
104 0.6 6
105 0.9 9
109 0.3 3
110 0.01 0
111 4.1 41
112 0.8 8
113 0.8 8
114 0.06 1
115 1.4 14
116 0.8 8
117 0.5 5
118 1.07 11
119 1.1 11
125 1.6 16
126 0.3 3
127 0.09 1
128 0.3 3
129 0.3 3
130 1.9 19
131 0.03 0
132 16.3 163
133 1.8 18
134 0.3 3
137 0.01 0
138 0.6 6
139 1.5 15
140 0.7 7
141 0.04 0
143 0.4 4
144 1.1 11
145 0.2 2
146 0.12 1
147 0.1 1
148 0.1 1
149 0.1 1
151 0.04 0
152 0.9 9
153 0.3 3
159 1 10
160 0.02 0
162 0.2 2
163 1.1 11
164 1.9 19
165 2.13 21
166 22 220
167 5.8 58
168 1 10
171 0.15 2
172 1.1 11
173 7 70
174 1 10
175 0.01 0
177 0.1 1
178 0.6 6
179 0.8 8
180 0.06 1
181 0.1 1
186 0.1 1
187 0.3 3
191 0.01 0
192 0.3 3
193 0.4 4
194 0.2 2
199 0.09 1
200 0.3 3
201 99.99 999
202 16.1 161
203 3.45 35
204 5.5 55
205 0.9 9
206 1.1 11
207 0.08 1
208 0.1 1
215 0.1 1
216 1.5 15
217 0.03 0
218 0.8 8
219 0.1 1
227 0.1 1
228 0.55 6
229 8.5 85
230 3.3 33
231 3 30
232 0.06 1
240 1.9 19
241 7.1 71
242 10.8 108
243 0.43 4
244 3.9 39
245 0.9 9
254 0.1 1
256 0.09 1
257 0.3 3
258 0.4 4
263 0.2 2
264 0.01 0
271 2.9 29
272 0.9 9
273 1.1 11
274 0.02 0
283 0.7 7
284 2.7 27
285 2 20
286 0.19 2
287 1 10
288 0.3 3
297 0.4 4
298 0.01 0
299 20 200
300 4.1 41
301 7 70
302 0.18 2
303 0.1 1
312 0.1 1
313 0.9 9
314 0.02 0
315 0.8 8
316 0.8 8
343 1.4 14
344 0.03 0
345 0.4 4
346 0.1 1
372 0.1 1
373 0.03 0
374 5.6 56
375 1.9 19
376 2.3 23
377 0.09 1
378 0.1 1
//
system version 2.2.8-SNAPSHOT