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MB Sample ID: SA157150
| Local Sample ID: | C-23X77-BR-00 |
| Subject ID: | SU001769 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Gender: | Female |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN002762 | AN002763 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | Reversed phase | Reversed phase |
| Chromatography system | Thermo Vanquish | Thermo Vanquish |
| Column | Higgins Analytical Targa C18 (50 x 2.1mm,5um) | Higgins Analytical Targa C18 (50 x 2.1mm,5um) |
| MS Type | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap |
| MS instrument name | Thermo Q-Exactive HFX | Thermo Q-Exactive HFX |
| Ion Mode | POSITIVE | NEGATIVE |
| Units | Peak intensity | Peak intensity |
MS:
| MS ID: | MS002559 |
| Analysis ID: | AN002762 |
| Instrument Name: | Thermo Q-Exactive HFX |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Analysis was performed for all batches in each mode. Database dependent targeted identification: Metabolites were identified based upon in-house database matching considering retention time, accurate mass, and MSMS matching (when available) matching with pure standards analyzed under the same conditions. Untargeted feature tables were generated by converting .RAW files to mzXML, and extracted using apLCMS at 5 different peak detection parameters. The resulting tables were merged using xMSanalyzer to remove redundant peaks, and batch corrected using ComBAT. All scripts for data extraction are included in the raw datafile uploads. |
| Ion Mode: | POSITIVE |
| Capillary Temperature: | 300 |
| Capillary Voltage: | 35 (S-Lens RF) |
| Dry Gas Flow: | 45 |
| Ionization: | Postive |
| Source Temperature: | 250 |
| Spray Voltage: | 3500 |
| Processing Parameters File: | apLCMSv6.6.8_runscript_c18-pos_HRE0010_02Dec2020.r xMSanalyzer_v2.0.8_HRE0010-C18pos_18Dec2020.r |
| MS ID: | MS002560 |
| Analysis ID: | AN002763 |
| Instrument Name: | Thermo Q-Exactive HFX |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Analysis was performed for all batches in each mode. Database dependent targeted identification: Metabolites were identified based upon in-house database matching considering retention time, accurate mass, and MSMS matching (when available) matching with pure standards analyzed under the same conditions. Untargeted feature tables were generated by converting .RAW files to mzXML, and extracted using apLCMS at 5 different peak detection parameters. The resulting tables were merged using xMSanalyzer to remove redundant peaks, and batch corrected using ComBAT. All scripts for data extraction are included in the raw datafile uploads. |
| Ion Mode: | NEGATIVE |
| Capillary Temperature: | 300 |
| Capillary Voltage: | 4000 (S-Lens RF) |
| Dry Gas Flow: | 45 |
| Ionization: | Negative |
| Source Temperature: | 250 |
| Spray Voltage: | -4000 |
| Processing Parameters File: | apLCMSv6.6.8_runscript_c18-neg_HRE0010_02Dec2020.r xMSanalyzer_v2.0.8_HRE0010-C18neg_18Dec2020.r |
