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MB Sample ID: SA343135
| Local Sample ID: | 20230216-M-GL-LJ-NEG7-1 |
| Subject ID: | SU003291 |
| Subject Type: | Plant |
| Subject Species: | Chili Pepper (Capsicum Chinense) |
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Combined analysis:
| Analysis ID | AN005206 |
|---|---|
| Analysis type | MS |
| Chromatography type | Reversed phase |
| Chromatography system | Waters Acquity H-Class |
| Column | Waters ACQUITY UPLC HSS T3 (150 x 2.1mm, 1.8um) |
| MS Type | ESI |
| MS instrument type | Orbitrap |
| MS instrument name | Orbitrap Exploris™ 240 Mass Spectrometer |
| Ion Mode | UNSPECIFIED |
| Units | peak area |
MS:
| MS ID: | MS004939 |
| Analysis ID: | AN005206 |
| Instrument Name: | Orbitrap Exploris™ 240 Mass Spectrometer |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | The metabolome profiling was carried out using untargeted metabolomics based on liquid chromatography coupled with mass spectrometry (LC-MS), with data collected in positive and negative modes respectively to improve coverage. The samples were filtered through a 0.22 µm membrane and transferred into the lining tube of a sampling vial. Subsequent centrifugation was carried out at 12000 rcf and 4°C for 10 minutes. The processed samples were then analyzed using Thermo Scientific Orbitrap Exploris™ 240 (Thermo Fisher Scientific, USA). Chromatographic separation was achieved on a T3 C18 (1.7 µm, 2.1 mm × 150 mm column, USA) maintained at 40°C. The mobile phase consisted of A: 1% formic acid in water and B: 1% formic acid in acetonitrile, with a flow rate of 300 µL/min. A 3 µL sample was injected at an autosampler temperature of 10°C. The elution gradient was set as follows: 0-2.5 min, 3-10% B; 2.5-6 min, 10-44% B; 6-14 min, 44-80% B; 14-20 min, 80-95% B; 20-23 min, 95% B; 23-23.1 min, 95-3% B; 23.1-28 min, 3% B. MS was performed using both positive and negative ion scans, with a precursor ion scan mode. The auxiliary gas heater temperature was set at 350°C, and the ion transfer tube temperature was also maintained at 350°C. The sheath gas flow rate and auxiliary gas flow rate were set to 35 arb and 15 arb, respectively. The voltages were set to 3.5 KV for the positive spectrum and 3.2 KV for the negative spectrum. For MS1, the scan resolution was 60000, with a scan range of 80-1200. For MS2, the scan resolution was 15000, with a stepped collision energy of 20, 40, and 60 eV. Metabolite identification and quantification were performed using the Compound Discoverer software 3.3 (Thermo Fisher Scientific, USA). |
| Ion Mode: | UNSPECIFIED |
