MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005774
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005774
RECORD_TITLE: THIORIDAZINE; EI-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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-9112000000-03a53f455eb75bee12b1
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
56 1.31 13
68 1.19 12
70 7.38 74
84 1.05 11
96 1.94 19
97 1.82 18
98 99.99 999
99 7.92 79
111 1.05 11
112 1.21 12
124 1.34 13
125 0.49 5
126 12.01 120
127 1.11 11
185 2.18 22
186 0.1 1
198 1.63 16
210 1 10
211 2.17 22
212 1.29 13
226 2.11 21
230 1.04 10
244 2.36 24
245 4.02 40
258 3.69 37
259 2.42 24
370 19.88 199
371 5.21 52
372 2.16 22
//
system version 2.2.8-SNAPSHOT