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MB Sample ID: SA256544
Local Sample ID: | QC_3 |
Subject ID: | SU002654 |
Subject Type: | Human |
Subject Species: | Homo sapiens |
Taxonomy ID: | 9606 |
Age Or Age Range: | 15-38 |
Gender: | Male and female |
Human Exclusion Criteria: | Subjects with other psychiatric or neurological disorders were excluded |
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Combined analysis:
Analysis ID | AN004205 |
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Analysis type | MS |
Chromatography type | Reversed phase |
Chromatography system | UltiMate 3000 UHPLC system (Thermo Fisher Scientific) |
Column | ACQUITY CSH C18 (2.1 ⨯ 100 mm, 1.7 μm) column (Waters) |
MS Type | ESI |
MS instrument type | Orbitrap |
MS instrument name | Thermo Q Exactive Orbitrap |
Ion Mode | NEGATIVE |
Units | Intensity |
MS:
MS ID: | MS003952 |
Analysis ID: | AN004205 |
Instrument Name: | Thermo Q Exactive Orbitrap |
Instrument Type: | Orbitrap |
MS Type: | ESI |
MS Comments: | MS scans were acquired in electrospray ionization (ESI) negative mode from m/z 100 to 1500 with a resolution of 70,000. MS target values and maximum injection time were 3 ⨯ 106 ions and 200 ms, respectively. The .raw files were converted to .mzML with the MSConvert software (ProteoWizard, Palo Alto, CA, USA). Using RStudio (RStudio, Boston, MA, USA), the parameters for data processing with the ‘xcms’ package were optimized with the ‘IPO’ package based on QC samples. With the optimized parameters, all the files were processed with ‘xcms’ and, afterwards, the data were organized in a peak list with the ‘CAMERA’ package, followed by the median fold change normalization. |
Ion Mode: | NEGATIVE |