| SpectraBase Spectrum ID |
BFWLlCa7szj |
| Name |
Ibuprofen-M/artifact (carboxyibuprofen-glucuronide +NH4) isomer 2 MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-230.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C13H14O3/c1-9(13(15)16)7-11-3-5-12(6-4-11)10(2)8-14/h3-6,9-10H,7H2,1-2H3/p+1 |
| InChIKey |
MTZWBVOHHGOMDJ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C(CC1=CC=C(C([C+]=O)C)C=C1)C)=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 |
