MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002763
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002763
RECORD_TITLE: PERPHENAZINE; 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$NAME: PERPHENAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H26ClN3OS
CH$EXACT_MASS: 403.14851
CH$SMILES: OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
CH$LINK: INCHIKEY
RGCVKNLCSQQDEP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1023441
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: splash10-0006-9450000000-c13808005c7ad3a43067
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
41 15.9 159
42 99.99 999
43 20.9 209
44 1.39 14
45 10.9 109
54 4.9 49
55 14.9 149
56 3.69 37
57 14.9 149
58 14.9 149
69 5.9 59
70 4.99 50
71 7.9 79
73 4.9 49
74 4.9 49
82 0.59 6
83 4.9 49
84 9.9 99
96 4.9 49
97 0.99 10
98 17.9 179
99 6.9 69
100 20.9 209
111 0.99 10
113 17.9 179
125 7.9 79
139 6.9 69
141 0.59 6
143 36.9 369
153 7.9 79
157 11.9 119
171 1.69 17
188 5.9 59
196 10.9 109
197 10.9 109
198 0.59 6
200 3.9 39
210 4.9 49
211 5.9 59
212 0.39 4
213 4.9 49
214 28.9 289
215 5.9 59
232 5.99 60
233 12.9 129
246 66.9 669
247 8.9 89
259 0.39 4
260 2.9 29
272 3.9 39
273 3.9 39
372 0.49 5
385 1.9 19
403 9.9 99
//
system version 2.2.8-SNAPSHOT