| SpectraBase Spectrum ID |
ETDjOjIygCm |
| Name |
Xylazine-M (oxo-HO-aryl-) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 251.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H14N2O2S |
| InChI |
InChI=1S/C12H14N2O2S/c1-7-3-9(15)4-8(2)11(7)14-12-13-5-10(16)6-17-12/h3-4,15H,5-6H2,1-2H3,(H,13,14) |
| InChIKey |
QBPLFBHVEGZGAP-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC(=C(C(=C1)C)NC1=NCC(CS1)=O)C |
| 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 |
