| SpectraBase Spectrum ID |
EvnOKKns4jp |
| Name |
Thiopropazate-M (deacetyl-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [100.00-415.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H26ClN3OS |
| InChI |
InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2 |
| InChIKey |
RGCVKNLCSQQDEP-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCCN1CCN(CCCN2C3=C(SC=4C2=CC=CC4)C=CC(=C3)Cl)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 |
