| SpectraBase Spectrum ID |
7ZtUjeCo9Ik |
| Name |
MDPV-M (demethylenyl-methyl-HO-) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-235.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C12H14O4/c1-3-4-5-9(13)8-6-10(14)12(15)11(7-8)16-2/h5-7H,3-4H2,1-2H3,(H-,13,14,15)/p+1 |
| InChIKey |
KXCYJTLQWFWIFL-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC(=CC(=C1O)OC)C([CH+]CCC)=O |
| 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 |
ms3 |
| Technique |
ITMS |
