| SpectraBase Spectrum ID |
AdoetGxx3nB |
| Name |
Clopenthixol-M (HO-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 417.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H25ClN2O2S |
| InChI |
InChI=1S/C22H25ClN2O2S/c23-16-5-7-21-19(15-16)17(18-3-1-2-4-20(18)28-21)6-8-22(27)25-11-9-24(10-12-25)13-14-26/h1-7,15,22,26-27H,8-14H2/b17-6+ |
| InChIKey |
DDVVVKUITBIOKB-UBKPWBPPSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCCN1CCN(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 |
