| SpectraBase Spectrum ID |
EkHdVnsLmcf |
| Name |
MDPBP-M (demethylenyl-oxo-glucuronide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-275.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H18NO4 |
| InChI |
InChI=1S/C14H17NO4/c1-2-10(15-7-3-4-13(15)18)14(19)9-5-6-11(16)12(17)8-9/h5-6,8,10,16-17H,2-4,7H2,1H3/p+1 |
| InChIKey |
GVSZGMSYDCGKNU-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(C(C(CC)[NH+]2CCCC2=O)=O)C=CC1O |
| 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 |
