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MB Sample ID: SA342832
| Local Sample ID: | 016_FC_S028_SOURCE_Female_Control |
| Subject ID: | SU003280 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Gender: | Male and female |
Select appropriate tab below to view additional metadata details:
Subject:
| Subject ID: | SU003280 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Gender: | Male and female |
Factors:
| Local Sample ID | MB Sample ID | Factor Level ID | Level Value | Factor Name |
|---|---|---|---|---|
| 016_FC_S028_SOURCE_Female_Control | SA342832 | FL040437 | Feces | Sample source |
| 016_FC_S028_SOURCE_Female_Control | SA342832 | FL040437 | Female | Gender |
| 016_FC_S028_SOURCE_Female_Control | SA342832 | FL040437 | Control | Diagnosis |
Collection:
| Collection ID: | CO003273 |
| Collection Summary: | Extraction solution (ES: 75% methanol and 25% water and six internal standards) was mixed with fecal smear, sonicated for 10 min, centrifuged at 14,000g for 10 min at 4 °C, and stored at -80c until submission for LC-MS metabolomics analysis |
| Sample Type: | Feces |
Treatment:
| Treatment ID: | TR003289 |
| Treatment Summary: | Extraction solution (ES: 75% methanol and 25% water and six internal standards) was mixed with fecal smear, sonicated for 10 min, centrifuged at 14,000g for 10 min at 4 °C, and stored at -80c until submission for LC-MS metabolomics analysis |
Sample Preparation:
| Sampleprep ID: | SP003287 |
| Sampleprep Summary: | Orbitrap Q-Exactive Mass Spectrometer (Thermo Fisher Scientific) was used. The resolution was set to 35,000 at a 200 mass/charge ratio (m/z) with electrospray ionization and polarity switching mode to enable both positive and negative ions across a mass range of 67–1000 m/z. The UPLC setup consisted of ZIC-pHILIC column (SeQuant; 150 mm × 2.1 mm, 5 μm; Merck). Stool extracts were injected, and the compounds were separated with mobile phase gradient, starting at 20% aqueous (20 mM ammonium carbonate adjusted to pH 9.2 with 0.1% of 25% ammonium hydroxide) and 80% organic (acetonitrile) and terminated with 20% acetonitrile. Flow rate and column temperature were maintained at 0.2 ml/min and 45 °C, respectively, for a total run time of 27 min. |
Combined analysis:
| Analysis ID | AN005186 |
|---|---|
| Analysis type | MS |
| Chromatography type | HILIC |
| Chromatography system | Thermo Dionex |
| Column | SeQuant ZIC-pHILIC (150 x 2.1mm,5um) |
| MS Type | Other |
| MS instrument type | Orbitrap |
| MS instrument name | Thermo Q Exactive Orbitrap |
| Ion Mode | UNSPECIFIED |
| Units | TSS normalized values |
Chromatography:
| Chromatography ID: | CH003923 |
| Instrument Name: | Thermo Dionex |
| Column Name: | SeQuant ZIC-pHILIC (150 x 2.1mm,5um) |
| Column Temperature: | 45 |
| Flow Gradient: | 0-2 min: 80%B B; 17 min: 20%B; 19 min: 20%B; 21min: 80%B; 27min: 80%B |
| Flow Rate: | 0.2 ml/min |
| Solvent A: | 100% Water; 20 mM ammonium carbonate; 0.1% of 25% ammonium hydroxide (pH 9.2) |
| Solvent B: | 100% Acetonitrile |
| Chromatography Type: | HILIC |
MS:
| MS ID: | MS004919 |
| Analysis ID: | AN005186 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | Other |
| MS Comments: | Electrospray ionization and polarity switching mode to enable both positive and negative ions across a mass range of 67–1000 m/z The raw data files generated by UPLC-MS/MS were processed using the MassLynx software (v4.1, Waters, Milford, MA, USA) to perform peak integration, calibration, and quantitation for each metabolite. |
| Ion Mode: | UNSPECIFIED |
