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MB Sample ID: SA314739
| Local Sample ID: | Hypoxia_1_2_pos |
| Subject ID: | SU002993 |
| Subject Type: | Plant |
| Subject Species: | Lycopersicon esculentum |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004719 | AN004720 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | Reversed phase | Reversed phase |
| Chromatography system | Thermo Vanquish | Thermo Vanquish |
| Column | Thermo Accucore C30 (150 x 2.1mm,2.6um) | Thermo Accucore C30 (150 x 2.1mm,2.6um) |
| MS Type | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap |
| MS instrument name | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Plus Orbitrap |
| Ion Mode | POSITIVE | NEGATIVE |
| Units | normalized relative abundance | normalized relative abundance (a.u.) |
MS:
| MS ID: | MS004465 |
| Analysis ID: | AN004719 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | MS raw files were analysed with the software LipidSearch (version 4.2.27, Thermo Fisher) using the following parameters: retention time interval 0.01 min, m-score threshold 5, precursor tolerance 5 ppm, product tolerance 8 ppm, ID quality filter A (fatty acid chain and class identified completely) and B (class and some fatty acid chains identified). The resulting text files were processed with an in-house KNIME workflow and filtered for ppm error, peak quality and area score. The area of identical lipids with different ion adducts was summed up. The resulting excel file was processed in R (v 4.0.2) with manual inspection of raw areas (Figure S1). Lipids in the blanks or blank extracts were excluded from the data, if not at least 5-fold lower in intensity in blank controls. Lipid areas were normalized to the respective lipids in the EquiSplash standard, and median normalization was applied (Figure S2). Lipids present in less than 20% of samples were excluded from subsequent analysis of lipid species. For principal component analyses (PCA), lipid species identified in at least 50% of samples were considered, and the three independent replicates were batch-adjusted using the ComBat algorithm. Lipids were annotated on the molecular species level in accordance with the proposed nomenclature by the LIPID MAPS consortium since no information on the sn-position of acyl/alkyl constituents was available |
| Ion Mode: | POSITIVE |
| MS ID: | MS004466 |
| Analysis ID: | AN004720 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | MS raw files were analysed with the software LipidSearch (version 4.2.27, Thermo Fisher) using the following parameters: retention time interval 0.01 min, m-score threshold 5, precursor tolerance 5 ppm, product tolerance 8 ppm, ID quality filter A (fatty acid chain and class identified completely) and B (class and some fatty acid chains identified). The resulting text files were processed with an in-house KNIME workflow and filtered for ppm error, peak quality and area score. The area of identical lipids with different ion adducts was summed up. The resulting excel file was processed in R (v 4.0.2) with manual inspection of raw areas (Figure S1). Lipids in the blanks or blank extracts were excluded from the data, if not at least 5-fold lower in intensity in blank controls. Lipid areas were normalized to the respective lipids in the EquiSplash standard, and median normalization was applied (Figure S2). Lipids present in less than 20% of samples were excluded from subsequent analysis of lipid species. For principal component analyses (PCA), lipid species identified in at least 50% of samples were considered, and the three independent replicates were batch-adjusted using the ComBat algorithm. Lipids were annotated on the molecular species level in accordance with the proposed nomenclature by the LIPID MAPS consortium since no information on the sn-position of acyl/alkyl constituents was available |
| Ion Mode: | NEGATIVE |
