| SpectraBase Spectrum ID |
Is0K905oSMl |
| Name |
Zuclopenthixol-M (N-dealky-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 357.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H21ClN2S |
| InChI |
InChI=1S/C20H21ClN2S/c21-15-7-8-20-18(14-15)16(17-4-1-2-6-19(17)24-20)5-3-11-23-12-9-22-10-13-23/h1-2,4-8,14,22H,3,9-13H2/b16-5+ |
| InChIKey |
SLTQOJGWYUTULB-FZSIALSZSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1CCN(CC1)CC\C=C\1C=2C(=CC=C(C2)Cl)SC2=C1C=CC=C2 |
| 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 |
