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MB Sample ID: SA288694
| Local Sample ID: | RJ_24IK2 |
| Subject ID: | SU002843 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Gender: | Male and female |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004438 |
|---|---|
| Analysis type | MS |
| Chromatography type | HILIC |
| Chromatography system | Thermo Dionex Ultimate 3000 |
| Column | SeQuant ZIC- pHILIC (150 x 2.1mm,5um) |
| MS Type | ESI |
| MS instrument type | Orbitrap |
| MS instrument name | Thermo Q Exactive Orbitrap |
| Ion Mode | UNSPECIFIED |
| Units | peak area |
MS:
| MS ID: | MS004185 |
| Analysis ID: | AN004438 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Metabolites were measured using a Thermo Scientific Q Exactive Hybrid Quadrupole-Orbitrap Mass spectrometer (HRMS) coupled to a Dionex Ultimate 3000 UHPLC. The mass spectrometer was operated in full-scan, polarity-switching mode, with the spray voltage set to +4.5 kV/-3.5 kV, the heated capillary held at 320 °C, and the auxiliary gas heater kept at 280 °C. The sheath gas flow was programmed to 55 units, the auxiliary gas flow was programmed to 15 units, and the sweep gas flow was programmed to 0 unit. HRMS data acquisition was performed in a range of m/z = 70–900, with the resolution set at 70,000, the AGC target at 1 × 106, and the maximum injection time (Max IT) at 120 ms. Metabolite identities were confirmed using two parameters: (1) precursor ion m/z was matched within 5 ppm of theoretical mass predicted by the chemical formula; (2) the retention time of metabolites was within 5% of the retention time of a purified standard run with the same chromatographic method. Each sample underwent 3 analytical repeats with subsequent peak annotation and chromatogram review and peak area integration were performed using the Thermo Fisher software Tracefinder 5.0. The peak area for each detected metabolite was subjected to the “Filtering 80% Rule”, half minimum missing value imputation, and normalized against the total ion count (TIC) to correct any variations introduced from sample handling through instrument analysis. Samples were excluded after performing testing for outliers based on geometric distances of each point in the PCA score analysis as part of the muma package (v.1.4) |
| Ion Mode: | UNSPECIFIED |
