| SpectraBase Spectrum ID |
3lfyzKHgj9h |
| Name |
FUB-AMB-M (HOOC-glucuronide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-365.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H19FN3O2 |
| InChI |
InChI=1S/C20H18FN3O2/c1-13(2)17(12-25)22-20(26)19-16-5-3-4-6-18(16)24(23-19)11-14-7-9-15(21)10-8-14/h3-10,13,17H,11H2,1-2H3/p+1 |
| InChIKey |
AOVGGGPPTODOLQ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C([C+]=O)C(C)C)C(C=1C2=C(N(N1)CC1=CC=C(C=C1)F)C=CC=C2)=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 |
