| SpectraBase Spectrum ID |
8UxaRPtrLU |
| Name |
MBDB-M (demethylenyl-glucuronide) 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 |
C11H17NO2 |
| InChI |
InChI=1S/C11H17NO2/c1-3-9(12-2)6-8-4-5-10(13)11(14)7-8/h4-5,7,9,12-14H,3,6H2,1-2H3 |
| InChIKey |
VDJBHSSFCFZNAW-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(C=CC1O)CC(CC)NC |
| 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 |
