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MB Sample ID: SA257271
Local Sample ID: | C1_Hilic_pos |
Subject ID: | SU002659 |
Subject Type: | Human |
Subject Species: | Homo sapiens |
Taxonomy ID: | 9606 |
Age Or Age Range: | 82 |
Gender: | Female |
Select appropriate tab below to view additional metadata details:
Combined analysis:
Analysis ID | AN004214 | AN004215 | AN004216 | AN004217 |
---|---|---|---|---|
Analysis type | MS | MS | MS | MS |
Chromatography type | HILIC | HILIC | Reversed phase | Reversed phase |
Chromatography system | Thermo Dionex Ultimate 3000 | Thermo Dionex Ultimate 3000 | Thermo Dionex Ultimate 3000 | Thermo Dionex Ultimate 3000 |
Column | Agilent InfinityLab Poroshell 120 HILIC-Z (150 x 2.1mm,2.7um) | Agilent InfinityLab Poroshell 120 HILIC-Z (150 x 2.1mm,2.7um) | Thermo Accucore C18 (150 x 2.1mm,2.6um) | Thermo Accucore C18 (150 x 2.1mm,2.6um) |
MS Type | ESI | ESI | ESI | ESI |
MS instrument type | QTOF | QTOF | QTOF | QTOF |
MS instrument name | ABI Sciex 6600 TripleTOF | ABI Sciex 6600 TripleTOF | ABI Sciex 6600 TripleTOF | ABI Sciex 6600 TripleTOF |
Ion Mode | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
Units | area integration | area integration | area integration | area integration |
MS:
MS ID: | MS003961 |
Analysis ID: | AN004214 |
Instrument Name: | ABI Sciex 6600 TripleTOF |
Instrument Type: | QTOF |
MS Type: | ESI |
MS Comments: | The mass spectrometer was ran under the following source conditions: curtain gas pressure, 50 psi; temperature, 400 °C; ESI nebulizer gas pressure, 50 psi; heater gas pressure, 70 psi; declustering potential, 80 V. Data was acquired in an information dependent manner across 10 high sensitivity product ion scans, each with an accumulation time of 100 ms and a TOF survey scan with accumulation time of 250 ms. Total cycle time was 1.3 s. Collision energy was determined using the formula CE (V) = 0.084 x m/z +12 up to a maximum of 55 V. Isotopes within 4 Da were excluded from the scan. Acquired data were checked in PeakView 2.2 and imported into Progenesis Qi 2.4 for metabolomics, where they were aligned, peaks were picked, normalised to all compounds and deconvoluted according to standard Progenesis workflows. Annotations were made by searching the accurate mass, MS/MS spectrum and isotope distribution ratios of acquired data against the NIST MS/MS metabolite library. Metabolites were identified by searching retention times and accurate masses against an in-house chemical standard library. |
Ion Mode: | POSITIVE |
MS ID: | MS003962 |
Analysis ID: | AN004215 |
Instrument Name: | ABI Sciex 6600 TripleTOF |
Instrument Type: | QTOF |
MS Type: | ESI |
MS Comments: | The mass spectrometer was ran under the following source conditions: curtain gas pressure, 50 psi; temperature, 400 °C; ESI nebulizer gas pressure, 50 psi; heater gas pressure, 70 psi; declustering potential, 80 V. Data was acquired in an information dependent manner across 10 high sensitivity product ion scans, each with an accumulation time of 100 ms and a TOF survey scan with accumulation time of 250 ms. Total cycle time was 1.3 s. Collision energy was determined using the formula CE (V) = 0.084 x m/z +12 up to a maximum of 55 V. Isotopes within 4 Da were excluded from the scan. Acquired data were checked in PeakView 2.2 and imported into Progenesis Qi 2.4 for metabolomics, where they were aligned, peaks were picked, normalised to all compounds and deconvoluted according to standard Progenesis workflows. Annotations were made by searching the accurate mass, MS/MS spectrum and isotope distribution ratios of acquired data against the NIST MS/MS metabolite library. Metabolites were identified by searching retention times and accurate masses against an in-house chemical standard library. |
Ion Mode: | NEGATIVE |
MS ID: | MS003963 |
Analysis ID: | AN004216 |
Instrument Name: | ABI Sciex 6600 TripleTOF |
Instrument Type: | QTOF |
MS Type: | ESI |
MS Comments: | The mass spectrometer was ran under the following source conditions: curtain gas pressure, 50 psi; temperature, 400 °C; ESI nebulizer gas pressure, 50 psi; heater gas pressure, 70 psi; declustering potential, 80 V. Data was acquired in an information dependent manner across 10 high sensitivity product ion scans, each with an accumulation time of 100 ms and a TOF survey scan with accumulation time of 250 ms. Total cycle time was 1.3 s. Collision energy was determined using the formula CE (V) = 0.084 x m/z +12 up to a maximum of 55 V. Isotopes within 4 Da were excluded from the scan. Acquired data were checked in PeakView 2.2 and imported into Progenesis Qi 2.4 for metabolomics, where they were aligned, peaks were picked, normalised to all compounds and deconvoluted according to standard Progenesis workflows. Annotations were made by searching the accurate mass, MS/MS spectrum and isotope distribution ratios of acquired data against the NIST MS/MS metabolite library. Metabolites were identified by searching retention times and accurate masses against an in-house chemical standard library. |
Ion Mode: | POSITIVE |
MS ID: | MS003964 |
Analysis ID: | AN004217 |
Instrument Name: | ABI Sciex 6600 TripleTOF |
Instrument Type: | QTOF |
MS Type: | ESI |
MS Comments: | The mass spectrometer was ran under the following source conditions: curtain gas pressure, 50 psi; temperature, 400 °C; ESI nebulizer gas pressure, 50 psi; heater gas pressure, 70 psi; declustering potential, 80 V. Data was acquired in an information dependent manner across 10 high sensitivity product ion scans, each with an accumulation time of 100 ms and a TOF survey scan with accumulation time of 250 ms. Total cycle time was 1.3 s. Collision energy was determined using the formula CE (V) = 0.084 x m/z +12 up to a maximum of 55 V. Isotopes within 4 Da were excluded from the scan. Acquired data were checked in PeakView 2.2 and imported into Progenesis Qi 2.4 for metabolomics, where they were aligned, peaks were picked, normalised to all compounds and deconvoluted according to standard Progenesis workflows. Annotations were made by searching the accurate mass, MS/MS spectrum and isotope distribution ratios of acquired data against the NIST MS/MS metabolite library. Metabolites were identified by searching retention times and accurate masses against an in-house chemical standard library. |
Ion Mode: | NEGATIVE |