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Automated annotation and quantitation of glycans by liquid chromatography/electrospray ionization mass spectrometric analysis using the MultiGlycan-ESI computational tool.
Hu, Yunli; Zhou, Shiyue; Yu, Chuan-Yih; Tang, Haixu; Mechref, Yehia.
Afiliación
  • Hu Y; Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, TX, 79409, USA.
Rapid Commun Mass Spectrom ; 29(1): 135-42, 2015 Jan 15.
Article en En | MEDLINE | ID: mdl-25462374
RATIONALE: Liquid chromatography/mass spectrometry (LC/MS) is currently considered to be a conventional glycomics analysis strategy due to the high sensitivity and ability to handle complex biological samples. Interpretation of LC/MS data is a major bottleneck in high-throughput glycomics LC/MS-based analysis. The complexity of LC/MS data associated with biological samples prompts the needs to develop computational tools capable of facilitating automated data annotation and quantitation. METHODS: An LC/MS-based automated data annotation and quantitation software, MultiGlycan-ESI, was developed and utilized for glycan quantitation. Data generated by the software from LC/MS analysis of permethylated N-glycans derived from fetuin were initially validated by manual integration to assess the performance of the software. The performance of MultiGlycan-ESI was then assessed for the quantitation of permethylated fetuin N-glycans analyzed at different concentrations or spiked with permethylated N-glycans derived from human blood serum. RESULTS: The relative abundance differences between data generated by the software and those generated by manual integration were less than 5%, indicating the reliability of MultiGlycan-ESI in quantitation of permethylated glycans analyzed by LC/MS. Automated quantitation resulted in a linear relationship for all six N-glycans derived from 50 ng to 400 ng fetuin with correlation coefficients (R(2) ) greater than 0.93. Spiking of permethylated fetuin N-glycans at different concentrations in permethylated N-glycan samples derived from a 0.02 µL of HBS also exhibited linear agreement with R(2) values greater than 0.9. CONCLUSIONS: With a variety of options, including mass accuracy, merged adducts, and filtering criteria, MultiGlycan-ESI allows automated annotation and quantitation of LC/ESI-MS N-glycan data. The software allows the reliable quantitation of glycan LC/MS data. The software is reliable for automated glycan quantitation, thus facilitating rapid and reliable high-throughput glycomics studies.
Asunto(s)

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Polisacáridos / Cromatografía Liquida / Espectrometría de Masa por Ionización de Electrospray Tipo de estudio: Prognostic_studies Límite: Humans Idioma: En Revista: Rapid Commun Mass Spectrom Año: 2015 Tipo del documento: Article País de afiliación: Estados Unidos

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Asunto principal: Polisacáridos / Cromatografía Liquida / Espectrometría de Masa por Ionización de Electrospray Tipo de estudio: Prognostic_studies Límite: Humans Idioma: En Revista: Rapid Commun Mass Spectrom Año: 2015 Tipo del documento: Article País de afiliación: Estados Unidos