| SpectraBase Spectrum ID |
6UGRYpo1r6 |
| Name |
MDPV-M (HOOC-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 308.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H21NO5 |
| InChI |
InChI=1S/C16H21NO5/c1-2-4-12(17-8-3-5-15(18)19)16(20)11-6-7-13-14(9-11)22-10-21-13/h6-7,9,12,17H,2-5,8,10H2,1H3,(H,18,19) |
| InChIKey |
MFTARJKSSFMSIL-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C(C1=CC2=C(OCO2)C=C1)=O)CCC)CCCC(=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 |
ms2 |
| Technique |
ITMS |
