MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003074
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003074
RECORD_TITLE: CYCLIZINE; 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$NAME: CYCLIZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H22N2
CH$EXACT_MASS: 266.17830
CH$SMILES: CN(C3)CCN(C3)C(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
CH$LINK: INCHIKEY
UVKZSORBKUEBAZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4022864
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: splash10-0aos-9620000000-ed8810ea85a4b69f8507
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
54 2.9 29
55 5.9 59
56 66.4 664
57 0.94 9
58 17.9 179
59 0.9 9
70 19.4 194
71 0.64 6
72 10.9 109
77 3.9 39
82 3.4 34
83 0.34 3
84 2.9 29
85 6.9 69
89 3.9 39
90 0.24 2
91 12.9 129
95 1.4 14
96 1.4 14
97 0.79 8
98 3.9 39
99 99.99 999
100 10.9 109
103 0.19 2
104 4.9 49
151 1.9 19
152 19.4 194
153 0.54 5
164 2.9 29
165 37.9 379
166 13.9 139
167 6.04 60
168 25.4 254
169 2.9 29
178 0.9 9
179 0.19 2
180 2.9 29
181 0.4 4
182 1.4 14
189 1.09 11
190 1.4 14
193 3.9 39
194 43.4 434
195 3.59 36
196 6.9 69
205 1.9 19
206 11.9 119
207 3.59 36
208 27.9 279
209 5.9 59
210 1.9 19
222 0.39 4
223 1.4 14
251 1.9 19
265 1.9 19
266 4.34 43
267 8.9 89
268 1.4 14
//