603295

Caffeine-¹³C₃ solution

99 atom % ¹³C, 1 mg/mL in methanol, drug standard

• Synonym(s): Caffeine-trimethyl-¹³C₃ solution
• Empirical Formula (Hill Notation): ¹³C₃C₅H₁₀N₄O₂
• Molecular Weight: 197.17
• EC Number: 200-659-6
• MDL number: MFCD00143899
• UNSPSC Code: 41116107
• PubChem Substance ID: 329758876
• NACRES: NA.24

Properties

• grade: drug standard
• Quality Level: 200
• isotopic purity: 99 atom % ¹³C
• availability: not available in Japan
• concentration: 1 mg/mL in methanol
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• application(s): pharmaceutical (small molecule)
• 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

Description

Application

Caffeine-¹³C₃ solution can be used as an internal standard for the analysis of contaminants of emerging concern (CECs)in the influent and effluent streams of wastewater treatment plants using liquid chromatographic technique coupled with high resolution mass spectrometry(LC-HRMS) and liquid chromatographic technique coupled with tandem mass spectrometry(LC-MS/MS).

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Safety Information

• pictograms: GHS02,GHS06,GHS08
• signalword: Danger
• hcodes: H225,H301 + H311 + H331,H370
• pcodes: P210 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P304 + P340 + P311
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1
• target_organs: Eyes
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 49.5 °F - closed cup
• flash_point_c: 9.7 °C - closed cup