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MB Sample ID: SA101088
| Local Sample ID: | a351 |
| Subject ID: | SU001458 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN002308 | AN002309 | AN002310 | AN002311 |
|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS |
| Chromatography type | Reversed phase | Reversed phase | Reversed phase | Reversed phase |
| Chromatography system | Shimadzu Prominence 20 UFLCXR | Thermo Dionex Ultimate 3000 | Shimadzu Prominence 20 UFLCXR | Shimadzu Prominence 20 UFLCXR |
| Column | Waters BEH C18 (100mm x 2.1mm; 1.7um) | Waters XSelect HSS T3 (100 x 2.1mm,2.5um) | Waters Acquity CSH C18 (100 x 2.1mm,1.7um) | Waters Acquity CSH C18 (100 x 2.1mm,1.7um) |
| MS Type | ESI | ESI | ESI | ESI |
| MS instrument type | QTOF | Orbitrap | QTOF | QTOF |
| MS instrument name | ABI Sciex 5600 TripleTOF | Thermo Exactive Plus Orbitrap | ABI Sciex 5600 TripleTOF | ABI Sciex 5600 TripleTOF |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | Area | Area | Area |
MS:
| MS ID: | MS002151 |
| Analysis ID: | AN002308 |
| Instrument Name: | ABI Sciex 5600 TripleTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | The capillary voltage was set at 4.5 kV in negative ion mode, with a declustering potential of 80V. The mass spectrometer was operated in IDA (Information Dependent Acquisition) mode with a 100 ms survey scan from 100 to 1200 m/z, and up to 20 MS/MS product ion scans (100 ms) per duty cycle using a collision energy of 50V with a 20V spread. Data processing was performed using MS-DIAL and annotated using the built-in public library. Blank subtraction and analysis was performed in excel. |
| Ion Mode: | POSITIVE |
| MS ID: | MS002152 |
| Analysis ID: | AN002309 |
| Instrument Name: | Thermo Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Aquired in MS1 mode only. Data processing and annotation performed using MAVEN and an in-house targeted list. Blank subtraction and analysis was performed in excel. |
| Ion Mode: | NEGATIVE |
| MS ID: | MS002153 |
| Analysis ID: | AN002310 |
| Instrument Name: | ABI Sciex 5600 TripleTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | IDA MS2 method. Ammonium formate and formic acid were added to the positive ESI solvents. Data processing performed using MS-DIAL and annotated using the in silico library. Blank subtraction and analysis was performed in excel. |
| Ion Mode: | POSITIVE |
| MS ID: | MS002154 |
| Analysis ID: | AN002311 |
| Instrument Name: | ABI Sciex 5600 TripleTOF |
| Instrument Type: | QTOF |
| MS Type: | ESI |
| MS Comments: | IDA MS2 method. Ammonium acetate was used for negative ESI solvents. Data processing performed using MS-DIAL and annotated using the in silico library. Blank subtraction and analysis was performed in excel. |
| Ion Mode: | NEGATIVE |
