| SpectraBase Spectrum ID |
LRCW2AoyQdY |
| Name |
Clopenthixol-M (N-dealkyl.HO-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 373.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H21ClN2OS |
| InChI |
InChI=1S/C20H21ClN2OS/c21-14-5-7-19-17(13-14)15(16-3-1-2-4-18(16)25-19)6-8-20(24)23-11-9-22-10-12-23/h1-7,13,20,22,24H,8-12H2/b15-6+ |
| InChIKey |
JNBPWNQDFAOWKG-GIDUJCDVSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1CCN(C(C\C=C\2C=3C(=CC=C(C3)Cl)SC3=C2C=CC=C3)O)CC1 |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
