| SpectraBase Spectrum ID |
JL1MPqp1Qbl |
| Name |
Flupirtine-M (acetyl-decarbamoyl-glucuronide) isomer 1 MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C14H15FN4O/c1-9(20)18-12-6-7-13(19-14(12)16)17-8-10-2-4-11(15)5-3-10/h2-7H,8H2,1H3,(H,18,20)(H3,16,17,19) |
| InChIKey |
DRLYXYQWBLIUFS-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
NC1=C(C=CC(=N1)NCC1=CC=C(C=C1)F)NC(=O)C |
| 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 |
