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MB Sample ID: SA297371
| Local Sample ID: | 2021-02-01 JL14 SO WE 2 MRM LM TR3_1-E |
| 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 |
MS:
| MS ID: | MS004269 |
| Analysis ID: | AN004522 |
| Instrument Name: | Bruker timsTOF PRO |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | The metabolites were ionized in a micro-flow electrospray source equipped with an ionBooster-ESI device with the following settings: end plate, 400 V; capillary voltage, 1,000 V; charge voltage, 300 V; vaporizer temperature, 240 °C; sheath gas, 1.5 L/min; nebulizer, 4.1 bar; dry gas, 2.6 L/min; dry temperature, 200 °C. The ions were detected in the negative ionization mode using the following settings: survey (MS1) low- and middle-mass range, m/z 20–300 and m/z 50–1,300, respectively; spectral acquisition rate, 2 Hz. A list of metabolite ions was targeted using multiple reaction monitoring. Ions were isolated with 4-Da window (± 2 Da) for collision-induced dissociation (CID). The low-mass range (m/z 20–300) employed the following optimization for collision energy and m/z tuning: 12 eV at 115.0026; 12 eV at 145.0132; 12 eV at 168.9897; 12 eV at 184.9846; 10 eV at 191.0186. |
| Ion Mode: | NEGATIVE |
| Analysis Protocol File: | Baxi_2023_Organizer_Work_MeabolomicsWorkBench_Description_2023-07-02.docx |
| MS ID: | MS004270 |
| Analysis ID: | AN004523 |
| Instrument Name: | Bruker timsTOF PRO |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | The metabolites were ionized in a micro-flow electrospray source equipped with an ionBooster-ESI device with the following settings: end plate, 400 V; capillary voltage, 1,000 V; charge voltage, 300 V; vaporizer temperature, 240 °C; sheath gas, 1.5 L/min; nebulizer, 4.1 bar; dry gas, 2.6 L/min; dry temperature, 200 °C. The ions were detected in the negative ionization mode using the following settings: survey (MS1) low- and middle-mass range, m/z 20–300 and m/z 50–1,300, respectively; spectral acquisition rate, 2 Hz. A list of metabolite ions was targeted using multiple reaction monitoring. Ions were isolated with 4-Da window (± 2 Da) for collision-induced dissociation (CID). The middle-mass range (m/z 50–1,300) employed the following optimization for collision energy and m/z tuning: 15 eV at 338.9877; 18 eV at 346.0553; 25 eV at 426.0216; 20 eV at 505.9879. |
| Ion Mode: | NEGATIVE |
| Analysis Protocol File: | Baxi_2023_Organizer_Work_MeabolomicsWorkBench_Description_2023-07-02.docx |
| MS ID: | MS004271 |
| Analysis ID: | AN004524 |
| Instrument Name: | Bruker timsTOF PRO |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | The GSH and GSSG ion signals were measured in the positive ion mode and detected on the timsTOF PRO (Bruker) mass spectrometer with the following parameters: mass range, m/z 100–800; spectral acquisition rate, 4 Hz; scan mode, MRM (GSH: m/z 308.0911, charge state +1, retention time 2.5 min, width 4 Da (+/– 2 Da), and collision energy 26 eV); and GSSG (m/z 307.0833, charge state +2, retention time 2.9 min, width 4 Da (+/– 2 Da), collision energy 20 eV). |
| Ion Mode: | POSITIVE |
| Analysis Protocol File: | Baxi_2023_Organizer_Work_MeabolomicsWorkBench_Description_2023-07-02.docx |
