Description

Caffeine (Trimethyl-13C3) is a stable isotope-labeled analog of caffeine, where three methyl groups are enriched with carbon-13. This compound is essential for precise quantitative analysis and metabolic pathway tracing in scientific research. It is primarily used by analytical laboratories, pharmaceutical R&D departments, and academic institutions engaged in mass spectrometry-based studies, pharmacokinetics, and stable isotope dilution assays.

Application

• Internal Standard for Mass Spectrometry (MS): Serves as a critical reference compound for the accurate quantification of unlabeled caffeine in complex biological matrices via LC-MS/MS and GC-MS.
• Metabolic Pathway Tracing: Used in in vitro and in vivo studies to investigate the absorption, distribution, metabolism, and excretion (ADME) of caffeine and related xanthines.
• Pharmaceutical Research & Development: Enables precise pharmacokinetic and bioequivalence studies for drug formulations containing caffeine.
• Clinical and Forensic Toxicology: Enhances the accuracy and reliability of caffeine assays in human plasma, serum, and urine for diagnostic or forensic purposes.
• Nutritional and Sports Science Studies: Facilitates research into caffeine's ergogenic effects, metabolism, and clearance rates in athletes.
• Environmental Analysis: Can be employed as a tracer in studies monitoring caffeine as a biomarker for wastewater contamination in environmental samples.

Basic Information

Product Name	Caffeine (Trimethyl-13C3)
CAS No.	78072-66-9
Molecular Formula	C513C3H10N4O2
Molecular Weight	197.17 g/mol (for 13C3)
Synonyms	1,3,7-Trimethyl-13C3-purine-2,6-dione; Caffeine-13C3 (methyl-13C); [13C3]-Caffeine; Caffeine (methyl-13C3); 1,3,7-Trimethylxanthine-13C3; Guaramine-13C3; Theine-13C3; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione-13C3
EINECS	Contact for details

Quality Control

Every batch of Caffeine (Trimethyl-13C3) is produced and analyzed under strict quality management protocols. We guarantee high chemical purity and isotopic enrichment, verified by advanced analytical techniques including NMR, HPLC, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing purity, isotopic enrichment (atom % 13C), and chromatographic data is provided with each shipment to ensure traceability and compliance with your research requirements.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry environment. The product is hygroscopic (moisture-sensitive); ensure the container is sealed after each use to prevent absorption of atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to labeled structure
Purity (HPLC)	≥ 98.0%
Isotopic Enrichment	≥ 99 atom % 13C (per labeled position)
Chemical Purity	≥ 98.0% (by 1H NMR)
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.