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MB Sample ID: SA332115
| Local Sample ID: | MXP500L-0-5711_1036867631_19_0_1_1_00_1036866439_16_R30V3 |
| Subject ID: | SU003184 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Gender: | Male and female |
Select appropriate tab below to view additional metadata details:
Subject:
| Subject ID: | SU003184 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Gender: | Male and female |
Factors:
| Local Sample ID | MB Sample ID | Factor Level ID | Level Value | Factor Name |
|---|---|---|---|---|
| MXP500L-0-5711_1036867631_19_0_1_1_00_1036866439_16_R30V3 | SA332115 | FL039290 | Plasma | Sample material |
| MXP500L-0-5711_1036867631_19_0_1_1_00_1036866439_16_R30V3 | SA332115 | FL039290 | after_Aspirin | Treatment |
| MXP500L-0-5711_1036867631_19_0_1_1_00_1036866439_16_R30V3 | SA332115 | FL039290 | F | Sex |
Collection:
| Collection ID: | CO003177 |
| Collection Summary: | SERUM/PLASMA: Blood samples were obtained at baseline and after 7 days intake of the study medication. On both study days two blood samples using 6 mL K3EDTA and serum collection tubes (both Vacuette, Greiner Bio-One GmbH, Kremsmünster, Austria) were obtained from each subject. EDTA-anticoagulated tubes were carefully inverted two times after blood draw and centrifuged immediately at room temperature at 2000 g for 10 min. In contrast, filled serum tubes were carefully inverted after blood draw and placed to sit upright for 15 to 30 minutes to allow clot formation. Then, tubes were centrifuged at room temperature at 2000 g for 10 min. Directly after centrifugation, 500 µL of plasma or serum, respectively, were transferred into pre-labelled Eppendorf safe-lock tubes and stored at -80°C until analysis. |
| Sample Type: | Blood (serum) and blood (plasma) |
Treatment:
| Treatment ID: | TR003193 |
| Treatment Summary: | Subjects received acetylsalicylic acid for 7 days. The study cohort was instructed to take 500 mg acetylsalicylic acid (Aspirin® 500 mg acetylsalicylic acid, Cellulose powder, maize starche) per day in the evening. |
Sample Preparation:
| Sampleprep ID: | SP003190 |
| Sampleprep Summary: | Targeted metabolomics experiments were conducted by applying the MxP® Quant 500 Kit (Biocrates Life Sciences AG, Innsbruck, Austria). Therefore, 10 µL of sample was used and the kit was performed according to the manufacturer’s instructions. Phenyl isothiocyanate (Sigma-Aldrich, St. Louis, USA) was purchased separately and was used for derivatization of amino acids and biogenic amines according to the kit manual. |
Combined analysis:
| Analysis ID | AN005026 | AN005027 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | Reversed phase | Reversed phase |
| Chromatography system | ExionLC AD chromatography system (AB Sciex, Framingham, MA, USA) | ExionLC AD chromatography system (AB Sciex, Framingham, MA, USA) |
| Column | MxP Quant 500 Column System (Biocrates Part No: 21117) | MxP Quant 500 Column System (Biocrates Part No: 21117) |
| MS Type | ESI | ESI |
| MS instrument type | Triple quadrupole | Triple quadrupole |
| MS instrument name | ABI Sciex 6500+ QTrap | ABI Sciex 6500+ QTrap |
| Ion Mode | NEGATIVE | POSITIVE |
| Units | µM | µM |
Chromatography:
| Chromatography ID: | CH003798 |
| Chromatography Summary: | Measurements were carried out using LC-MS/MS and flow injection (FIA)-MS/MS analyses on a Sciex 6500+ series mass spectrometer coupled to an ExionLC AD chromatography system (AB Sciex, Framingham, MA, USA), utilizing the Analyst 1.7.1 software with hotfix 1 (also AB SCIEX). All required standards, quality controls and eluents were included in the kit, as well as the chromatographic column for the LC-MS/MS analysis part. LC1_pos: The UHPLC autosampler and column oven are held at 10 °C and 50 °C, respectively. The injection volume was 5 µL. Eluent A is water (0.2% formic acid) and eluent B is acetonitrile (0.2% formic acid). Gradient run time of 5.8 mins. Remain at 0% B for 0.25 min, linear gradient to 12% B at 1.5 min and 17.5% B at 2.7 min. Further linear increase to 50% B at 4 mins and 100% B at 4.5 min, where it remains until 5 min. Reduction to 0% at 5.1 min and remaining at 0% until 5.8 min. Flow rate of 0.8 mL/min until 4.5 min, then increase to 1 mL/min until 4.7 min and remaining until 5.1 min. Finally, reduction to 0.8 mL/min until 5.8 min. |
| Instrument Name: | ExionLC AD chromatography system (AB Sciex, Framingham, MA, USA) |
| Column Name: | MxP Quant 500 Column System (Biocrates Part No: 21117) |
| Column Temperature: | 50°C |
| Flow Gradient: | Gradient run time of 5.8 mins. Remain at 0% B for 0.25 min, linear gradient to 12% B at 1.5 min and 17.5% B at 2.7 min. Further linear increase to 50% B at 4 mins and 100% B at 4.5 min, where it remains until 5 min. Reduction to 0% at 5.1 min and remaining at 0% until 5.8 min. Flow rate of 0.8 mL/min until 4.5 min, then increase to 1 mL/min until 4.7 min and remaining until 5.1 min. Finally, reduction to 0.8 mL/min until 5.8 min. |
| Flow Rate: | 0.8 mL/min |
| Solvent A: | 100% Water; 0.2% FA |
| Solvent B: | 100% ACN; 0.2% FA |
| Chromatography Type: | Reversed phase |
MS:
| MS ID: | MS004765 |
| Analysis ID: | AN005026 |
| Instrument Name: | ABI Sciex 6500+ QTrap |
| Instrument Type: | Triple quadrupole |
| MS Type: | ESI |
| MS Comments: | Measurements were carried out using LC-MS/MS and flow injection (FIA)-MS/MS analyses on a Sciex 6500+ series mass spectrometer coupled to an ExionLC AD chromatography system (AB Sciex, Framingham, MA, USA), utilizing the Analyst 1.7.1 software with hotfix 1 (also AB SCIEX). All required standards, quality controls and eluents were included in the kit, as well as the chromatographic column for the LC-MS/MS analysis part. Preparation of the measurement worklist as well as data validation and evaluation were performed with the software supplied with the kit (MetIDQ-Oxygen-DB110-3005, Biocrates Life Sciences). MS(LC2_neg): Scheduled MRM experiment in negative polarity. Detection window of 30 s, target scan time of 0.15 s and 3 ms pause between mass ranges. Q1 and Q3 were held at unit resolution. Source parameters were as follows: CUR 35, CAD 8, voltage –4.5 kV, temperature 650 °C, ion source gas at 40 and 40. |
| Ion Mode: | NEGATIVE |
| MS ID: | MS004766 |
| Analysis ID: | AN005027 |
| Instrument Name: | ABI Sciex 6500+ QTrap |
| Instrument Type: | Triple quadrupole |
| MS Type: | ESI |
| MS Comments: | Measurements were carried out using LC-MS/MS and flow injection (FIA)-MS/MS analyses on a Sciex 6500+ series mass spectrometer coupled to an ExionLC AD chromatography system (AB Sciex, Framingham, MA, USA), utilizing the Analyst 1.7.1 software with hotfix 1 (also AB SCIEX). All required standards, quality controls and eluents were included in the kit, as well as the chromatographic column for the LC-MS/MS analysis part. Preparation of the measurement worklist as well as data validation and evaluation were performed with the software supplied with the kit (MetIDQ-Oxygen-DB110-3005, Biocrates Life Sciences). MS(LC1_pos): Scheduled MRM experiment in positive polarity. Detection window of 30 s, target scan time of 0.15 s and 3 ms pause between mass ranges. Q1 and Q3 were held at unit resolution. Source parameters were as follows: CUR 45, CAD 9, voltage 5.5 kV, temperature 500 °C, ion source gas at 60 and 70. |
| Ion Mode: | POSITIVE |
