| SpectraBase Spectrum ID |
LgoUZaqBI7C |
| Name |
MDPV-M (dihydro-oxo-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-2-4-12(17-8-3-5-15(17)18)16(19)11-6-7-13-14(9-11)21-10-20-13/h6-7,9,12,16,19H,2-5,8,10H2,1H3 |
| InChIKey |
UAENKHNTDXVGCN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1=CC2=C(OCO2)C=C1)C(CCC)N1C(CCC1)=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 |
