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MB Sample ID: SA213020
| Local Sample ID: | PL076R1_1192956 |
| Subject ID: | SU002321 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Age Or Age Range: | 50 +/-11 |
| Gender: | Female |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003645 |
|---|---|
| Analysis type | MS |
| Chromatography type | Reversed phase |
| Chromatography system | Waters XEVO-G2XSQTOF |
| Column | C18 |
| MS Type | ESI |
| MS instrument type | QTOF |
| MS instrument name | Waters Xevo-G2-XS |
| Ion Mode | POSITIVE |
| Units | ppm |
Chromatography:
| Chromatography ID: | CH002699 |
| Chromatography Summary: | Instrument: XEVO-G2XSQTOF Untargeted metabolomics analysis was conducted on Waters Acquity™ UPLC system with 2D column regeneration configuration (I-class and H-class) coupled to a Xevo G2-XS quadrupole time-of-flight (qTOF) mass spectrometer as previously described.11,13-15 Chromatographic separation was performed using HILIC (Acquity™ UPLC BEH amide, 100 Å, 1.7 µm 2.1× 100mm, Waters Corporation, Milford, U.S.A) and C18 (Acquity™ UPLC HSS T3, 100 Å, 1.8 µm, 2.1×100mm, Water Corporation, Milford, U.S.A) columns at 45°C. Quaternary solvent system mobile phases were (A) 0.1% formic acid in water, (B) 0.1% formic acid in acetonitrile and (D) 100mM ammonium formate, pH 3. Samples were separated on the HILIC using the following gradient profile at 0.4 mL/min flow rate: (95% B, 5% D) linear change to (70% A, 25% B and 5% D) over 5 min; 100% A for 1 min; and 100% A for 1 min. For C18 separation, the chromatography gradient was as follows at 0.4 mL/min flow rate: 100% A with a linear change to (5% A, 95% B) over 5 min; (95% B, 5% D) for 1 min; and 1 min at (95% B, 5% D). A binary pump was used for column regeneration and equilibration. The solvent system mobile phases were (A1) 100mM ammonium formate, pH 3, (A2) 0.1% formic in 2-propanol and (B1) 0.1% formic acid in acetonitrile. The HILIC column was stripped using 90% A2 for 5 min at 0.25 mL/min flow rate, followed by a 2 min equilibration using 100% B1 at 0.3mL/min flow rate. Reverse phase C18 column regeneration was performed using 95% A1, 5% B1 for 2 min followed by column equilibration using 5% A1, 95% B1 for 5 min at 0.4mL/min flow rate. |
| Instrument Name: | Waters XEVO-G2XSQTOF |
| Column Name: | C18 |
| Column Temperature: | 45 |
| Flow Gradient: | 100% A with a linear change to (5% A, 95% B) over 5 min; (95% B, 5% D) for 1 min; and 1 min at (95% B, 5% D) |
| Flow Rate: | 0.4 mL/min |
| Solvent A: | 100% water; 0.1% formic acid(A), 100% acetonitrile; 0.1% formic acid(B), 100 mM ammonium formate, pH 3(D) |
| Chromatography Type: | Reversed phase |
