| SpectraBase Spectrum ID |
DBQc0aut2Ct |
| Name |
MDPV-M (demethylenyl-methyl-HO-glucuronide) 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/C16H23NO4/c1-3-6-12(17-7-4-5-8-17)15(19)11-9-13(18)16(20)14(10-11)21-2/h9-10,12,18,20H,3-8H2,1-2H3 |
| InChIKey |
KLSXLJCCQTZWAR-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C(=CC(=CC1OC)C(C(CCC)N1CCCC1)=O)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 |
