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MB Sample ID: SA325836
| Local Sample ID: | C628 |
| Subject ID: | SU003106 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004913 | AN004914 | AN004915 | AN004916 | AN004917 |
|---|---|---|---|---|---|
| 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) | Agilent DB5-MS (30m x 0.25mm, 0.25um) | Agilent Technologies fused silica capillary (total length, 100 cm; internal diameter, 50 µm) | Agilent Technologies fused polyvinyl alcohol capillary PVA (total length, 97.6 cm; internal diameter, 50 µm) |
| MS Type | ESI | ESI | EI | ESI | EI |
| MS instrument type | QTOF | QTOF | Single quadrupole | TOF | TOF |
| MS instrument name | Agilent 6545 QTOF | Agilent 6545 QTOF | Agilent 5977B | Agilent 6230 TOF | Agilent 6224 TOF |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE | POSITIVE | NEGATIVE |
| Units | Corrected areas | Corrected areas | Corrected areas | Corrected areas | Corrected areas |
Chromatography:
| Chromatography ID: | CH003708 |
| Chromatography Summary: | UHPLC-QTOF-MS POS |
| 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: | 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 minute 17. |
| Flow Rate: | 0.6 mL/min |
| Internal Standard: | Sphinganine (D17:0) and palmitic acid-d31 |
| Solvent A: | 90% water/10% methanol; 10 mM ammonium acetate; 0.2 mM ammonium fluoride |
| Solvent B: | 20% acetonitrile/30% methanol/50% isopropanol; 10 mM ammonium acetate; 0.2 mM ammonium fluoride |
| Analytical Time: | 19 min |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH003709 |
| Chromatography Summary: | UHPLC-QTOF-MS NEG |
| 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: | 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 minute 17. |
| Flow Rate: | 0.6 mL/min |
| Internal Standard: | Sphinganine (D17:0) and palmitic acid-d31 |
| Solvent A: | 90% water/10% methanol; 10 mM ammonium acetate; 0.2 mM ammonium fluoride |
| Solvent B: | 20% acetonitrile/30% methanol/50% isopropanol; 10 mM ammonium acetate; 0.2 mM ammonium fluoride |
| Analytical Time: | 19 min |
| Chromatography Type: | Reversed phase |
| Chromatography ID: | CH003710 |
| Chromatography Summary: | GC-MS |
| Instrument Name: | Agilent 8890 GC System |
| Column Name: | Agilent DB5-MS (30m x 0.25mm, 0.25um) |
| Column Temperature: | The temperature of the column was initially set at 60 °C for 1 minute, then raised to 10 °C/min to 325 °C, which was maintained for 10 minutes before cooling |
| Flow Gradient: | Constant |
| Flow Rate: | 0.5508 mL/min |
| Internal Standard: | palmitic acid-d31 and tricosane |
| Solvent A: | Helium |
| Solvent B: | N/A |
| Analytical Time: | 37 min |
| Chromatography Type: | GC |
| Chromatography ID: | CH003711 |
| Chromatography Summary: | CE-MS POS |
| Instrument Name: | Agilent 7100 CE |
| Column Name: | Agilent Technologies fused silica capillary (total length, 100 cm; internal diameter, 50 µm) |
| Column Temperature: | 20 ºC |
| Flow Gradient: | None |
| Flow Rate: | None |
| Internal Standard: | methionine sulfone, paracetamol and 4-morpholineethanesulfonic acid, 2-(N-morpholino)ethanesulfonic acid (MES) |
| Internal Standard Mt: | methionine sulfone |
| Solvent A: | BGE (1 M formic acid solution in 10% methanol (v/v)) |
| Solvent B: | N/A |
| Analytical Time: | 26 min |
| Capillary Voltage: | 30 KV |
| Sheath Liquid: | Methanol: water (1:1, v/v) and two reference masses (20 μL of purine: 121.0509 and 20 μL of HP-0922: 922.0098) at a flow rate of 0.6 mL/min (1:100 of split ratio) |
| Chromatography Type: | CE |
| Chromatography ID: | CH003712 |
| Chromatography Summary: | CE-MS NEG |
| Instrument Name: | Agilent 7100 CE |
| Column Name: | Agilent Technologies fused polyvinyl alcohol capillary PVA (total length, 97.6 cm; internal diameter, 50 µm) |
| Column Temperature: | 20 ºC |
| Flow Gradient: | None |
| Flow Rate: | None |
| Internal Standard: | methionine sulfone, paracetamol and 4-morpholineethanesulfonic acid, 2-(N-morpholino)ethanesulfonic acid (MES) |
| Internal Standard Mt: | methionine sulfone |
| Solvent A: | BGE (0.1 M formic acid solution) |
| Solvent B: | N/A |
| Analytical Time: | 55 min |
| Capillary Voltage: | -30 KV |
| Sheath Liquid: | Methanol: water (1:1, v/v) and two reference masses (20 μL of purine: 121.0509 and 20 μL of HP-0922: 922.0098) at a flow rate of 0.6 mL/min (1:100 of split ratio) |
| Chromatography Type: | CE |
