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C-082

Supelco

Caffeine-13C3 solution

1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, Cerilliant®

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Synonym(s):
Caffeine-trimethyl-13C3 solution
Empirical Formula (Hill Notation):
13C3C5H10N4O2
Molecular Weight:
197.17
EC Number:
MDL number:
UNSPSC Code:
41116107
PubChem Substance ID:
NACRES:
NA.24

grade

certified reference material

Quality Level

form

liquid

feature

SNAP-N-SPIKE®, SNAP-N-SHOOT®

packaging

ampule of 1 mL

manufacturer/tradename

Cerilliant®

concentration

1.0 mg/mL in methanol

technique(s)

gas chromatography (GC): suitable
liquid chromatography (LC): suitable

application(s)

forensics and toxicology

format

single component solution

storage temp.

−20°C

SMILES string

[13CH3]N1C(=O)N([13CH3])c2ncn([13CH3])c2C1=O

InChI

1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1

InChI key

RYYVLZVUVIJVGH-VMIGTVKRSA-N

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General description

A stable-labeled internal standard suitable for quantitation of caffeine levels in urine, serum, plasma, or dietary supplements by LC/MS or GC/MS for urine drug testing, clinical toxicology, dietary supplement testing. or isotope dilution methods. Caffeine is an alkaloid compound found naturally in many plants. Caffeine is a central nervous system (CNS) and metabolic stimulant as well as a diuretic.

Application


  • Caffeine-¹³C₃ isotopic standard for mass spectrometry: Recent research in "Physical Chemistry Chemical Physics" leverages the stable isotopic properties of Caffeine-¹³C₃ to explore the photo-deactivation processes of isothiazolinones, highlighting its utility in tracing environmental contaminants through advanced non-adiabatic dynamics investigations (de Araújo et al., 2024).

  • Stable isotope-labeled caffeine for metabolic studies: "ACS Applied Materials & Interfaces" features a study employing Caffeine-¹³C₃ to enhance the sensitivity of terahertz detection in monolayer materials, demonstrating its application in precise quantum sensing and material characterization (Wang and Yu, 2024).

  • ¹³C-labeled caffeine solution for pharmaceutical research: "JMIR Medical Education" utilized Caffeine-¹³C₃ in biostatistics education through interactive simulations, indicating its significance in educational frameworks for pharmaceutical research, particularly in statistical data analysis and interpretation (Thiesmeier and Orsini, 2024).

  • High-purity ¹³C₃ caffeine analytical reference material: Research published in "The Journal of Physical Chemistry Letters" explores the proximity-induced exchange interactions using Caffeine-¹³C₃, paving new pathways for quantum sensing technologies by utilizing stable isotopic labels in experimental setups (Shen et al., 2024).

  • Caffeine-¹³C₃ for bioanalytical method development: "Nano Letters" discusses the use of Caffeine-¹³C₃ in studying the topology-engineered orbital Hall effect in two-dimensional ferromagnets, illustrating its role in cutting-edge nanotechnology research and materials science (Chen et al., 2024).

Legal Information

CERILLIANT is a registered trademark of Merck KGaA, Darmstadt, Germany
Snap-N-Shoot is a registered trademark of Cerilliant Corporation
Snap-N-Spike is a registered trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

target_organs

Eyes

wgk_germany

WGK 1

flash_point_f

49.5 °F

flash_point_c

9.7 °C


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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