MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002762
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002762
RECORD_TITLE: PERICYAZINE; 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$NAME: PERICYAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H23N3OS
CH$EXACT_MASS: 365.15618
CH$SMILES: N#Cc(c4)cc(c(c4)1)N(CCCN(C3)CCC(O)C3)c(c2)c(ccc2)S1
CH$IUPAC: InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
CH$LINK: INCHIKEY
LUALIOATIOESLM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5045910
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: splash10-03xu-7932000000-163720fa7ee8e5adf313
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
41 22.9 229
42 46.9 469
43 25.9 259
44 9.1 91
53 6.9 69
55 13.9 139
56 22.9 229
57 1.49 15
58 4.9 49
69 7.9 79
70 20.9 209
71 0.79 8
72 5.9 59
77 6.9 69
82 4.9 49
83 0.49 5
84 5.9 59
96 10.9 109
97 5.9 59
98 0.69 7
100 23.9 239
105 10.9 109
112 11.9 119
113 1.09 11
114 99.99 999
115 42.9 429
126 7.9 79
127 0.39 4
128 34.9 349
140 6.9 69
141 13.9 139
142 8.6 86
143 6.9 69
205 18.9 189
223 22.9 229
224 1.09 11
237 14.9 149
238 8.9 89
248 1.9 19
249 0.29 3
250 2.9 29
251 1.9 19
263 35.9 359
264 2.39 24
293 0.9 9
347 0.9 9
365 78.9 789
366 0.14 1
367 3 30
//
system version 2.2.8-SNAPSHOT