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MB Sample ID: SA188294
Local Sample ID: | QC_ov_2 |
Subject ID: | SU002091 |
Subject Type: | Cultured cells |
Subject Species: | Homo sapiens |
Taxonomy ID: | 9606 |
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Combined analysis:
Analysis ID | AN003276 |
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Analysis type | MS |
Chromatography type | HILIC |
Chromatography system | Thermo Dionex Ultimate 3000 RS |
Column | SeQuant ZIC-HILIC (150 x 4.6mm,5um) |
MS Type | ESI |
MS instrument type | Orbitrap |
MS instrument name | Thermo Q Exactive Orbitrap |
Ion Mode | POSITIVE |
Units | Intensity |
MS:
MS ID: | MS003048 |
Analysis ID: | AN003276 |
Instrument Name: | Thermo Q Exactive Orbitrap |
Instrument Type: | Orbitrap |
MS Type: | ESI |
MS Comments: | Mass spectrometer operated in full scan mode with positive and negative polarity switching at 35000 resolution at 200 m/z with detection range of 85 to 1, 275 m/z in full scan mode. Electro-spray ionization source (HESI) was set to 3.5 kV voltage for posi-tive mode and 4.0 kV for negative mode, sheath gas was set to 50 and aux gas to 20 ar-bitrary units, capillary temperature 300 °C, probe heater temperature 120 °C. Mixtures of pure authentic standards containing over 320 metabolites were acquired as separate injections and used to confirm retention times. Metabolites confirmed with authentic standards were given the highest confidence MSI level 1. The acquired LCMS data was processed in untargeted fashion using the open-source software IDEOM [30,31]. Default IDEOM parameters were used to elimi-nate unwanted noise and artefact peaks. Putative identification of metabolites was achieved by accurate mass within 3 ppm mass error searching against the Kyoto Ency-clopedia of Genes and Genomes (KEGG), MetaCyc, and LIPIDMAPS databases and others. Despite the washing steps performed in sample preparation it is expected |
Ion Mode: | POSITIVE |