| SpectraBase Spectrum ID |
HRPQKK4ICoE |
| Name |
MDPBP-M (demethylenyl-methyl-glucuronide) isomer 2 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C15H21NO3 |
| InChI |
InChI=1S/C15H21NO3/c1-3-12(16-8-4-5-9-16)15(18)11-6-7-13(17)14(10-11)19-2/h6-7,10,12,17H,3-5,8-9H2,1-2H3 |
| InChIKey |
AWUQFEPLNBJCFW-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC(=CC1OC)C(C(CC)N1CCCC1)=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 |
