MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005786
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005786
RECORD_TITLE: THIORIDAZINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: THIORIDAZINE
CH$NAME: 10-(2-(1-METHYL-2-PIPERIZYL)ETHYL)-2-(METHYLTHIO)-10H-PHENOTHIAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C21H26N2S2
CH$EXACT_MASS: 370.15374
CH$SMILES: CSc(c4)cc(c(c4)1)N(CCC(C3)N(C)CCC3)c(c2)c(ccc2)S1
CH$IUPAC: InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
CH$LINK: CAS
50-52-2
CH$LINK: INCHIKEY
KLBQZWRITKRQQV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6023656
AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE
PK$SPLASH: splash10-00di-4539000000-9b298eff08d8aae4d50c
PK$NUM_PEAK: 132
PK$PEAK: m/z int. rel.int.
51 1.95 20
52 3.73 37
58 2.95 30
63 10.3 103
68 1.73 17
70 6.05 61
77 6.35 64
79 6.5 65
82 2.65 27
84 5.24 52
89 1.55 16
91 2.62 26
93 2.47 25
94 4.17 42
96 9.9 99
97 12 120
98 66.75 668
99 1.07 11
100 4.5 45
105 1.62 16
106 1.21 12
107 1.25 13
108 1.88 19
110 4.43 44
111 6.31 63
112 11.89 119
113 1.07 11
119 1.44 14
120 1.95 20
122 9.49 95
123 11.56 116
124 34.2 342
125 10.67 107
126 26.04 260
127 2.21 22
128 3.17 32
134 1.4 14
136 1.58 16
138 3.87 39
139 1.4 14
140 3.98 40
142 1.29 13
148 1.4 14
152 6.09 61
153 3.06 31
154 2.69 27
156 1.25 13
157 1.55 16
162 1.07 11
164 1.95 20
166 1.84 18
168 1.18 12
170 1.51 15
180 1.1 11
182 1.32 13
185 1.21 12
196 1.21 12
197 1.18 12
198 1.36 14
199 6.09 61
200 5.2 52
202 1.03 10
212 1.55 16
214 2.88 29
215 1.66 17
216 4.5 45
218 1.77 18
219 1.99 20
225 1.4 14
226 3.5 35
227 1.4 14
228 3.17 32
230 2.03 20
231 1.73 17
233 1.21 12
240 1.18 12
241 1.55 16
242 2.65 27
243 1.07 11
244 1.84 18
245 10.78 108
246 21.24 212
247 3.91 39
248 3.25 33
256 1.32 13
258 3.43 34
260 4.21 42
261 1.07 11
262 2.06 21
265 1.29 13
270 1.29 13
271 2.8 28
272 7.42 74
273 4.1 41
274 8.01 80
275 2.03 20
276 1.14 11
288 2.25 23
290 1.07 11
293 1.58 16
294 1.4 14
295 3.1 31
300 1.69 17
302 1.44 14
323 3.5 35
324 13.96 140
325 21.61 216
326 5.98 60
327 2.65 27
338 1.18 12
339 2.95 30
340 4.21 42
341 9.97 100
342 3.39 34
343 1.73 17
353 3.25 33
355 1.69 17
356 1.07 11
367 1.44 14
369 14.81 148
370 50.38 504
371 99.99 999
372 26.26 263
373 14.55 146
374 3.47 35
375 1.58 16
384 1.4 14
385 1.99 20
386 1.14 11
399 11.82 118
400 3.98 40
401 2.62 26
//
system version 2.2.8-SNAPSHOT