| SpectraBase Spectrum ID |
HqyL4u9gex4 |
| Name |
bk-MBDB-M (demethylenyl-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H15NO3 |
| InChI |
InChI=1S/C11H15NO3/c1-3-8(12-2)11(15)7-4-5-9(13)10(14)6-7/h4-6,8,12-14H,3H2,1-2H3 |
| InChIKey |
JBMBPORLJQBFID-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=C(C(C(CC)NC)=O)C=C1O |
| 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 |
