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4-APC
- VUF 11000
- Parent CAS: 76201-92-8
- Soluble in DMSO
- MF: C11H20Br2N2O
- MW: 356.1
Description
4-APC is an excellent bioanalytical derivatization reagent for aldehydes, yielding adducts with LC-MS-tuned identifiers and properties. It was used under very mild derivatization conditions (NaBH3CN, water, pH 5.7, 4 °C) with an attractive selectivity profile (over ketones) and specific fragmentation properties in MS/MS profiling sensitivity and specificity.
Derivatization of aldehyde-containing metabolites and small molecules can improve retention, ionization and structural confirmation in LC-MS workflows. 4-APC is useful for pharmaceutical and biomedical analysis of reactive carbonyl species.
Key Features
- Aldehyde derivatization reagent
- Forms LC-MS-tuned adducts under mild conditions
- Provides selectivity for aldehydes over ketones in suitable workflows
- Useful for carbonyl profiling and metabolite analysis
Applications
- LC-MS sample preparation
- Aldehyde and carbonyl metabolomics
- Reactive metabolite and biomarker analysis
- Pharmaceutical bioanalytical method development
Note: Sold in collaboration with VU (VU University Amsterdam)
More Information
| Parent CAS No. | 76201-92-8 |
|---|---|
| Chemical Name | 4-(2-(trimethylammonio)ethoxy)benzenaminium bromide |
| cas_code | Sold in collaboration with VU (VU University Amsterdam) |
| SMILES | C1C=C(OCC[N+](C)(C)C)C=CC=1[NH3+].[Br-].[Br-] |
| MFCD | N.A. |
| InChi | InChI=1S/C11H19N2O.2BrH/c1-13(2,3)8-9-14-11-6-4-10(12)5-7-11;;/h4-7H,8-9,12H2,1-3H3;2*1H/q+1;;/p-1 |
| InChiKey | ZXNWYQOYBCUWKU-UHFFFAOYSA-M |
| CID | 91826486 |
| Short Description | Derivatization reagent |
References
- Eggink M, Charret S, Wijtmans M, Lingeman H, Kool J, Niessen WM, Irth H. Development of an on-line weak-cation exchange liquid chromatography-tandem mass spectrometric method for (...). J Chromatogr B 2009, 877(31), 3937-3945.
- Eggink M, Wijtmans M, Ekkebus R, Lingeman H, de Esch IJ, Kool J, Niessen WM, Irth H. Development of a selective ESI-MS derivatization reagent: synthesis and optimization for the analysis of aldehydes (...). Anal Chem. 2008, 80(23), 9042-9051.
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