SpectraBase Spectrum ID |
6MTPljuFHET |
Name |
MDPV-M (demethylenyl-methyl-HO-) MS2 |
Comments |
F: ITMS + c ESI d w Full ms2 [email protected] [70.00-305.00] |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C16H23NO4 |
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 |
ms2 |
Technique |
ITMS |