| SpectraBase Spectrum ID |
BIpXSpLt8HZ |
| Name |
MDPV-M (demethylenyl-oxo-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [65.00-290.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H19NO4 |
| InChI |
InChI=1S/C15H19NO4/c1-2-4-11(16-8-3-5-14(16)19)15(20)10-6-7-12(17)13(18)9-10/h6-7,9,11,17-18H,2-5,8H2,1H3 |
| InChIKey |
KKOGGAIAAIAVGB-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C=CC(=C1)C(C(CCC)N1C(CCC1)=O)=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 |
