| SpectraBase Spectrum ID |
I3jScQonUjS |
| Name |
DFBDB-M (HO-ring-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 |
C11H13F2NO3 |
| InChI |
InChI=1S/C11H13F2NO3/c1-2-7(14)3-6-4-8(15)5-9-10(6)17-11(12,13)16-9/h4-5,7,15H,2-3,14H2,1H3 |
| InChIKey |
ZOOULAYPBTYNTI-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NC(CC1=CC(=CC2=C1OC(O2)(F)F)O)CC |
| 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 |
