A protocol for LC-MS metabolomic data processing using chemometric tools (Record no. 54424)
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| fixed length control field | 01807nam a2200265Ia 4500 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | MX-MdCICY |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20250625162447.0 |
| 040 ## - CATALOGING SOURCE | |
| Transcribing agency | CICY |
| 090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER (OCLC); LOCAL CALL NUMBER (RLIN) | |
| Classification number (OCLC) (R) ; Classification number, CALL (RLIN) (NR) | B-20327 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 250602s9999 xx |||||s2 |||| ||und|d |
| 245 10 - TITLE STATEMENT | |
| Title | A protocol for LC-MS metabolomic data processing using chemometric tools |
| 490 0# - SERIES STATEMENT | |
| Volume/sequential designation | Protocol Exchange, 10.1038/protex.2015.102, 2015 |
| 520 3# - SUMMARY, ETC. | |
| Summary, etc. | Liquid chromatography- mass spectrometry (LC-MS)is a powerful methodology for metabolomics. However, LC-MS data processing comes out as the "bottleneck" of omic sciences due to its complexity. The present protocol, easy to execute in MATLAB environment, covers all data analysis steps (conversion and import, compression and processing)of LC-MS data sets and it is specifically designed for users with limited background in chemometric and data analysis tools. Data conversion and import are described for most important LC-MS manufacturers (i.e., Waters, Thermo Fischer, Agilent, AB Sciex and Bruker), data compression consists on the search of "regions of interest" (ROI)and data processing is based on the use of Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS), a powerful chemometric tool that allows chromatographic resolution. Results are rapidly achieved (usually ? 15 min per sample), and they are easy to interpret and evaluate both in terms of chemistry and biology. |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | METABOLOMICS |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | LC-MS |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | DATA PROCESSING |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | ROI |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | CHEMOMETRICS |
| 650 14 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name entry element | MCR-ALS |
| 700 12 - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Tauler, R. |
| 700 12 - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Gorrochategui, E. |
| 700 12 - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Jaumot, J. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://drive.google.com/file/d/100wbv3c1sqIipLpX13TfHIK_w3A31cVa/view?usp=drivesdk">https://drive.google.com/file/d/100wbv3c1sqIipLpX13TfHIK_w3A31cVa/view?usp=drivesdk</a> |
| Public note | Para ver el documento ingresa a Google con tu cuenta: @cicy.edu.mx |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Source of classification or shelving scheme | Clasificación local |
| Koha item type | Documentos solicitados |
| Lost status | Source of classification or shelving scheme | Damaged status | Not for loan | Collection | Home library | Current library | Shelving location | Date acquired | Total checkouts | Full call number | Date last seen | Price effective from | Koha item type |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Clasificación local | Ref1 | CICY | CICY | Documento préstamo interbibliotecario | 25.06.2025 | B-20327 | 25.06.2025 | 25.06.2025 | Documentos solicitados |