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MB Sample ID: SA240878
| Local Sample ID: | C18-5-neg |
| Subject ID: | SU002495 |
| Subject Type: | Plant |
| Subject Species: | Brassica napus |
| Taxonomy ID: | 3708 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003920 | AN003921 | AN003922 | AN003923 |
|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS |
| Chromatography type | HILIC | HILIC | Reversed phase | Reversed phase |
| Chromatography system | Thermo Dionex Ultimate 3000 | Thermo Dionex Ultimate 3000 | Thermo Dionex Ultimate 3000 | Thermo Dionex Ultimate 3000 |
| Column | Agilent InfinityLab Poroshell 120 HILIC-Z (100 x 2.1mm, 2.7um) | Agilent InfinityLab Poroshell 120 HILIC-Z (100 x 2.1mm, 2.7um) | Phenomonex Kinetex C18 (50 x 2.1mm, 2.6um) | Phenomonex Kinetex C18 (50 x 2.1mm, 2.6um) |
| MS Type | ESI | ESI | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap | Orbitrap | Orbitrap |
| MS instrument name | Thermo Q Exactive Orbitrap | Thermo Q Exactive Orbitrap | Thermo Q Exactive Orbitrap | Thermo Q Exactive Orbitrap |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | normalized relative level | normalized relative level | normalized relative level | normalized relative level |
MS:
| MS ID: | MS003658 |
| Analysis ID: | AN003920 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Processing of the full scan and ddMS2 data was conducted using the Xcalibur 4.1 software (Thermo Scientific, Waltham, US). Metabolites were identified by accurate mass, comparison of retention times to authentic standards or by accurate mass and comparison of fragmentation patterns to MS/MS databases (METLIN, PubChem). |
| Ion Mode: | POSITIVE |
| MS ID: | MS003659 |
| Analysis ID: | AN003921 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Processing of the full scan and ddMS2 data was conducted using the Xcalibur 4.1 software (Thermo Scientific, Waltham, US). Metabolites were identified by accurate mass, comparison of retention times to authentic standards or by accurate mass and comparison of fragmentation patterns to MS/MS databases (METLIN, PubChem). |
| Ion Mode: | NEGATIVE |
| MS ID: | MS003660 |
| Analysis ID: | AN003922 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Processing of the full scan and ddMS2 data was conducted using the Xcalibur 4.1 software (Thermo Scientific, Waltham, US). Metabolites were identified by accurate mass, comparison of retention times to authentic standards or by accurate mass and comparison of fragmentation patterns to MS/MS databases (METLIN, PubChem). |
| Ion Mode: | POSITIVE |
| MS ID: | MS003661 |
| Analysis ID: | AN003923 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Processing of the full scan and ddMS2 data was conducted using the Xcalibur 4.1 software (Thermo Scientific, Waltham, US). Metabolites were identified by accurate mass, comparison of retention times to authentic standards or by accurate mass and comparison of fragmentation patterns to MS/MS databases (METLIN, PubChem). |
| Ion Mode: | NEGATIVE |
