Pyruvic-1-13C acid (free acid)

• CAS: 99124-30-8
• Catalog Number: ACM99124308
• Category: Main Products
• Molecular Weight: 89.05
• Molecular Formula: CH3CO13CO2H
• Synonyms: Pyruvic acid-1-13C, 13C Labeled pyruvic acid, 2-Oxopropionic acid-1-13C, |A-Ketopropionic acid-1-13C, Pyruvic-1-13C acid (free acid), 99124-30-8
• IUPAC Name: 2-oxopropanoic acid
• SMILES: CC(=O)C(=O)O
• InChI Key: LCTONWCANYUPML-LBPDFUHNSA-N
• Appearance: liquid
• Exact Mass: 89.01940
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Case Study

Pyruvic-1-13C Acid as an Internal Standard for HILIC-HRMS-Based Plant Metabolomics

Xu, Yuanyuan, et al. Scientific Reports 11.1 (2021): 11657.

Pyruvic-1-13C acid serves as a stable isotope-labeled internal standard in hydrophilic interaction liquid chromatography-high-resolution mass spectrometry (HILIC-HRMS), enabling accurate and reproducible non-targeted metabolomic profiling of plant tissues such as soapberry pericarp during fruit development and ripening.
Experimental Protocol: Pericarp powder (30 mg) was extracted with methanol/H2O (75:25, v/v) via ultrasonication for 30 min. After centrifugation and evaporation, the residue was reconstituted in acetonitrile/water (60:40, v/v) containing 1.5 ppm pyruvic-1-13C acid, along with sulfadimethoxine and L-valine-1-13C, as internal standards. Separation was performed on a SeQuant ZIC pHILIC column (150 × 2.1 mm, 5 μm) with a mobile phase of 10 mmol/L ammonium acetate (pH 9.8) and acetonitrile. Data were acquired in full scan MS mode (70-1050 m/z) on a Q Exactive HF mass spectrometer.
Performance Evaluation: The use of pyruvic-1-13C acid as an internal standard ensured reliable normalization of metabolite signals across 24 samples from eight growth stages. It compensated for matrix effects and instrumental drift, contributing to robust PCA and OPLS-DA models. The HILIC column with isotope-labeled standards enabled the putative annotation of 111 metabolites, including amino acids, organic acids, fatty acids, and flavonoids.