| SpectraBase Spectrum ID |
L3szAyI9r7a |
| Name |
Thiopropazate-M (deacetyl-N-dealkyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 360.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H22ClN3S |
| InChI |
InChI=1S/C19H22ClN3S/c20-15-6-7-19-17(14-15)23(16-4-1-2-5-18(16)24-19)11-3-10-22-12-8-21-9-13-22/h1-2,4-7,14,21H,3,8-13H2 |
| InChIKey |
ZWIQAXTYRCAVFE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1CCN(CC1)CCCN1C2=C(C=CC(=C2)Cl)SC=2C1=CC=CC2 |
| 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 |
