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MB Sample ID: SA251579
| Local Sample ID: | 76 |
| Subject ID: | SU002601 |
| Subject Type: | Human |
| Subject Species: | Homo sapiens |
| Taxonomy ID: | 9606 |
| Gender: | Male and female |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004115 | AN004116 | AN004117 | AN004118 |
|---|---|---|---|---|
| Analysis type | MS | MS | MS | MS |
| Chromatography type | HILIC | HILIC | Reversed phase | Reversed phase |
| Chromatography system | Thermo Vanquish | Thermo Vanquish | Thermo Dionex Ultimate 3000 RS | Thermo Dionex Ultimate 3000 RS |
| Column | SeQuant ZIC-HILIC (100 x 2.1mm, 3.5um) | SeQuant ZIC-HILIC (100 x 2.1mm, 3.5um) | Agilent Zorbax SBaq (2.1 x 50 mm, 1.8 um) | Agilent Zorbax SBaq (2.1 x 50 mm, 1.8 um) |
| MS Type | ESI | ESI | ESI | ESI |
| MS instrument type | Orbitrap | Orbitrap | Orbitrap | Orbitrap |
| MS instrument name | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Plus Orbitrap | Thermo Q Exactive Orbitrap | Thermo Q Exactive Orbitrap |
| Ion Mode | POSITIVE | NEGATIVE | POSITIVE | NEGATIVE |
| Units | Area | Area | Area | Area |
MS:
| MS ID: | MS003862 |
| Analysis ID: | AN004115 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Raw data were imported into Progenesis QI 2.3 software (Water, Milford, MA, USA) to align and quantify chromatographic peaks. Data from all 4 acquisition modes (HILIC positive, HILIC negative, RPLC positive, RPLC negative) were processed independently. Using in house R code, we 1) removed noise, 2) imputed data and 3) adjusted for MS drift with time using the LOESS normalization method on pooled QCs injected every 10 injections in the sequence. We used MetID and our MS/MS data to identify 12740 metabolites with confidence levels ranging from 1-3, where 1 matches MS/MS, retention time and m/z from standards on our platform (843 metabolites), 2 has MS/MS and m/z matches from a database (395 metabolites), and 3 matches the m/z of a database (11,502). |
| Ion Mode: | POSITIVE |
| MS ID: | MS003863 |
| Analysis ID: | AN004116 |
| Instrument Name: | Thermo Q Exactive Plus Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Raw data were imported into Progenesis QI 2.3 software (Water, Milford, MA, USA) to align and quantify chromatographic peaks. Data from all 4 acquisition modes (HILIC positive, HILIC negative, RPLC positive, RPLC negative) were processed independently. Using in house R code, we 1) removed noise, 2) imputed data and 3) adjusted for MS drift with time using the LOESS normalization method on pooled QCs injected every 10 injections in the sequence. We used MetID and our MS/MS data to identify 12740 metabolites with confidence levels ranging from 1-3, where 1 matches MS/MS, retention time and m/z from standards on our platform (843 metabolites), 2 has MS/MS and m/z matches from a database (395 metabolites), and 3 matches the m/z of a database (11,502). |
| Ion Mode: | NEGATIVE |
| MS ID: | MS003864 |
| Analysis ID: | AN004117 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Raw data were imported into Progenesis QI 2.3 software (Water, Milford, MA, USA) to align and quantify chromatographic peaks. Data from all 4 acquisition modes (HILIC positive, HILIC negative, RPLC positive, RPLC negative) were processed independently. Using in house R code, we 1) removed noise, 2) imputed data and 3) adjusted for MS drift with time using the LOESS normalization method on pooled QCs injected every 10 injections in the sequence. We used MetID and our MS/MS data to identify 12740 metabolites with confidence levels ranging from 1-3, where 1 matches MS/MS, retention time and m/z from standards on our platform (843 metabolites), 2 has MS/MS and m/z matches from a database (395 metabolites), and 3 matches the m/z of a database (11,502). |
| Ion Mode: | POSITIVE |
| MS ID: | MS003865 |
| Analysis ID: | AN004118 |
| Instrument Name: | Thermo Q Exactive Orbitrap |
| Instrument Type: | Orbitrap |
| MS Type: | ESI |
| MS Comments: | Raw data were imported into Progenesis QI 2.3 software (Water, Milford, MA, USA) to align and quantify chromatographic peaks. Data from all 4 acquisition modes (HILIC positive, HILIC negative, RPLC positive, RPLC negative) were processed independently. Using in house R code, we 1) removed noise, 2) imputed data and 3) adjusted for MS drift with time using the LOESS normalization method on pooled QCs injected every 10 injections in the sequence. We used MetID and our MS/MS data to identify 12740 metabolites with confidence levels ranging from 1-3, where 1 matches MS/MS, retention time and m/z from standards on our platform (843 metabolites), 2 has MS/MS and m/z matches from a database (395 metabolites), and 3 matches the m/z of a database (11,502). |
| Ion Mode: | NEGATIVE |
