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MB Sample ID: SA333513
| Local Sample ID: | L103 |
| Subject ID: | SU003218 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN005077 | AN005078 | AN005079 | AN005080 | AN005081 |
|---|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | GC | CE | CE |
| Chromatography system | Agilent 1290 Infinity II | Agilent 1290 Infinity II | Agilent 8890 GC System | Agilent 7100 CE | Agilent 7100 CE |
| Column | Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) | Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) | GC DB5-MS column (40 m length, 0.25 mm inner diameter, and 0.25 µm film of 95% dimethyl/5% diphenylpolysiloxane) | Agilent Technologies fused silica capillary (total length, 100 cm; internal diameter, 50 µm) | Agilent Technologies fused silica capillary (total length, 100 cm; internal diameter, 50 µm) |
| MS Type | ESI | ESI | EI | ESI | ESI |
| MS instrument type | QTOF | QTOF | Single quadrupole | TOF | TOF |
| MS instrument name | Agilent 6545 QTOF | Agilent 6545 QTOF | Agilent 5977B | Agilent 6230 TOF | Agilent 6230 TOF |
| Ion Mode | POSITIVE | NEGATIVE | UNSPECIFIED | POSITIVE | NEGATIVE |
| Units | Area | Corrected areas | Corrected areas | Corrected areas | Corrected areas |
Chromatography:
| Chromatography ID: | CH003834 |
| Chromatography Summary: | RP-UHPLC-ESI(+)-QTOF-MS |
| Instrument Name: | Agilent 1290 Infinity II |
| Column Name: | Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) |
| Column Temperature: | 50°C |
| Flow Gradient: | The chromatographic gradient started at 70 % of B at 0 - 1 min, 86 % B at 3.5 - 10 min, 100% B at 11 - 17 min. The starting conditions were recovered by min 17, followed by a 2 min re-equilibration time, reaching a total running time of 19 min |
| Flow Rate: | 0.6 mL/min |
| Solvent A: | 10 mM CH3COONH4 and 0.2 mM NH4F in H2O/MeOH (9:1, v/v) |
| Solvent B: | 10 mM CH3COONH4 and 0.2 mM NH4F in ACN/MeOH/IPA (2:3:5, v/v/v) |
| Analytical Time: | 19 min |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH003835 |
| Chromatography Summary: | RP-UHPLC-ESI(-)-QTOF-MS |
| Instrument Name: | Agilent 1290 Infinity II |
| Column Name: | Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3mm,2.7um) |
| Column Temperature: | 50°C |
| Flow Gradient: | The chromatographic gradient started at 70 % of B at 0 - 1 min, 86 % B at 3.5 - 10 min, 100% B at 11 - 17 min. The starting conditions were recovered by min 17, followed by a 2 min re-equilibration time, reaching a total running time of 19 min |
| Flow Rate: | 0.6 mL/min |
| Solvent A: | 10 mM CH3COONH4 and 0.2 mM NH4F in H2O/MeOH (9:1, v/v) |
| Solvent B: | 10 mM CH3COONH4 and 0.2 mM NH4F in ACN/MeOH/IPA (2:3:5, v/v/v) |
| Analytical Time: | 19 min |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH003836 |
| Chromatography Summary: | GC-Q-MS |
| Instrument Name: | Agilent 8890 GC System |
| Column Name: | GC DB5-MS column (40 m length, 0.25 mm inner diameter, and 0.25 µm film of 95% dimethyl/5% diphenylpolysiloxane) |
| Column Temperature: | The column temperature gradient was programmed as follows: it started at 60 °C for 1 min, then increased by 10 °C/min until reaching 325 °C and held at this temperature for 10 min before cooling down |
| Flow Gradient: | Constant |
| Flow Rate: | 0.5658 mL/min |
| Solvent A: | Helium |
| Solvent B: | N/A |
| Analytical Time: | 37 min followed by 5 min of post-run period |
| Chromatography Type: | GC |
| Chromatography ID: | CH003837 |
| Chromatography Summary: | CE-ESI(+)-TOF-MS |
| Instrument Name: | Agilent 7100 CE |
| Column Name: | Agilent Technologies fused silica capillary (total length, 100 cm; internal diameter, 50 µm) |
| Column Temperature: | 20°C |
| Flow Gradient: | N/A |
| Flow Rate: | N/A |
| Solvent A: | BGE (1 M FA in 10% MeOH) |
| Solvent B: | N/A |
| Analytical Time: | 26 min |
| Capillary Voltage: | 30kV |
| Sheath Liquid: | MeOH: H2O (1:1, v/v) with 1mM FA containing two reference masses (purine: 121.0509 and HP-0922: 922.0098) at a flow rate of 0.6 mL/min (1:100 of split ratio) |
| Chromatography Type: | CE |
| Chromatography ID: | CH003838 |
| Chromatography Summary: | CE-ESI(-)-TOF-MS |
| Instrument Name: | Agilent 7100 CE |
| Column Name: | Agilent Technologies fused silica capillary (total length, 100 cm; internal diameter, 50 µm) |
| Column Temperature: | 20°C |
| Flow Gradient: | N/A |
| Flow Rate: | N/A |
| Solvent A: | BGE (1 M FA in 10% MeOH) |
| Solvent B: | N/A |
| Analytical Time: | 40 min |
| Capillary Voltage: | -30kV |
| Sheath Liquid: | MeOH: H2O (1:1, v/v) with 1mM FA containing two reference masses (purine: 121.0509 and HP-0922: 922.0098) at a flow rate of 1.0 mL/min (1:100 of split ratio) |
| Chromatography Type: | CE |
