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MB Sample ID: SA297384
Local Sample ID: | 2021-09-10 JL70 SO3 3x dilution GSH GSSG MRM TR3_1-B |
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 |