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MB Sample ID: SA297431
| Local Sample ID: | 2021-02-01 JL10 SO2 MRM LM TR2_1-C |
| Subject ID: | SU002885 |
| Subject Type: | Amphibian |
| Subject Species: | Xenopus laevis |
| Taxonomy ID: | 8355 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004522 | AN004523 | AN004524 |
|---|---|---|---|
| Analysis type | MS | MS | MS |
| Chromatography type | Ion exchange | Ion exchange | HILIC |
| Chromatography system | Waters ACQUITY I-Class | Waters Acquity I-Class | Waters Acquity I-Class |
| Column | Waters Atlantis Premier BEH C18 AX (100 x 2.1mm, 1.7um) | Waters Atlantis Premier BEH C18 AX (100 x 2.1mm, 1.7um) | ACQUITY UPLC BEH amide (100 x 1mm, 1.7um) |
| MS Type | ESI | ESI | ESI |
| MS instrument type | QTOF | QTOF | QTOF |
| MS instrument name | Bruker timsTOF PRO | Bruker timsTOF PRO | Bruker timsTOF PRO |
| Ion Mode | NEGATIVE | NEGATIVE | POSITIVE |
| Units | Counts | Counts | Counts |
Chromatography:
| Chromatography ID: | CH003396 |
| Chromatography Summary: | A 2.5 µL of the metabolite extract was loaded onto a reversed-phase LC column featuring anion-exchange chemistry (Atlantis PREMIER BEH C18 AX Column, Waters, 1.7 µm, 2.1 × 100 mm) and separated at 500 uL/min in a micro-flow LC system (ACQUITY I-Class, Waters) using a gradient of buffer A (100% ACN) and buffer B (95% water, 5% ACN with 1 mM ammonium acetate; pH 7.8) as follows: 5% was held 0–¬0.5 min, then linearly increased to 90% over 9.5 min, and held at 90% for 3 min. To recover and recondition the analytical column before the next sample injection, solvent B was then decreased to 5% over 2 min and the column was rinsed for 7 min. The column temperature was set to 30 °C. |
| Methods Filename: | Baxi_2023_Organizer_Work_MeabolomicsWorkBench_Description_2023-07-02.docx |
| Instrument Name: | Waters ACQUITY I-Class |
| Column Name: | Waters Atlantis Premier BEH C18 AX (100 x 2.1mm, 1.7um) |
| Column Temperature: | 30 |
| Flow Gradient: | 5% B was held 0–0.5 min, then linearly increased to 90% over 9.5 min, and held at 90% for 3 min |
| Flow Rate: | 500 uL/min |
| Solvent A: | 100% ACN |
| Solvent B: | 95% water/5% acetonitrile; 1 mM ammonium acetate; pH 7.8 |
| Chromatography Type: | Ion exchange |
| Chromatography ID: | CH003397 |
| Chromatography Summary: | A 2.5 µL of the metabolite extract was loaded onto a reversed-phase LC column featuring anion-exchange chemistry (Atlantis PREMIER BEH C18 AX Column, Waters, 1.7 µm, 2.1 × 100 mm) and separated at 500 uL/min in a micro-flow LC system (ACQUITY I-Class, Waters) using a gradient of buffer A (100% ACN) and buffer B (95% water, 5% ACN with 1 mM ammonium acetate; pH 7.8) as follows: 5% was held 0–¬0.5 min, then linearly increased to 90% over 9.5 min, and held at 90% for 3 min. To recover and recondition the analytical column before the next sample injection, solvent B was then decreased to 5% over 2 min and the column was rinsed for 7 min. The column temperature was set to 30 °C. |
| Methods Filename: | Baxi_2023_Organizer_Work_MeabolomicsWorkBench_Description_2023-07-02.docx |
| Instrument Name: | Waters Acquity I-Class |
| Column Name: | Waters Atlantis Premier BEH C18 AX (100 x 2.1mm, 1.7um) |
| Column Temperature: | 30 |
| Flow Gradient: | 5% B was held 0–0.5 min, then linearly increased to 90% over 9.5 min, and held at 90% for 3 min |
| Flow Rate: | 500 uL/min |
| Solvent A: | 100% ACN |
| Solvent B: | 95% water/5% acetonitrile; 1 mM ammonium acetate; pH 7.8 |
| Chromatography Type: | Ion exchange |
| Chromatography ID: | CH003398 |
| Chromatography Summary: | A 2-µL volume of the metabolite extract was loaded onto an ACQUITY UPLC BEH amide column (130 A, 1.7 µm, 1 mm × 100 mm) and separated at 45 ℃ using a mobile phase delivered at 130 uL/min in a micro-LC system (Waters ACQUITY I-Class). The separation was performed in buffer A (water containing 0.1% v/v FA) with a gradient of buffer B (100% ACN with 0.1% v/v FA) as follows: 1% A for 0.05 min, then ramped to 80% A over 3.20 min, held at 80% A for 2 min, ramped to 1% A in 1.75 min. To recover and condition the analytical column for the next sample injection, buffer A was held at 1% for 7 min. |
| Methods Filename: | Baxi_2023_Organizer_Work_MeabolomicsWorkBench_Description_2023-07-02.docx |
| Instrument Name: | Waters Acquity I-Class |
| Column Name: | ACQUITY UPLC BEH amide (100 x 1mm, 1.7um) |
| Column Temperature: | 45 |
| Flow Gradient: | 1% A for 0.05 min, then ramped to 80% A over 3.20 min, held at 80% A for 2 min, ramped to 1% A in 1.75 min |
| Flow Rate: | 130 uL/min |
| Solvent A: | water containing 0.1% v/v FA |
| Solvent B: | 100% acetonitrile; 0.1% v/v FA |
| Chromatography Type: | HILIC |
