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MB Sample ID: SA237019
| Local Sample ID: | Ctrl_2_RP_Pos |
| Subject ID: | SU002450 |
| Subject Type: | Cultured cells |
| Subject Species: | Mus musculus |
| Taxonomy ID: | 10090 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN003855 | AN003856 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | Reversed phase | Unspecified |
| Chromatography system | SCIEX ExionLC | SCIEX ExionLC |
| Column | Phenomenex Kinetex F5 Core-shell LC (100 x 2.1 mm,2.6um) | Thermo Scientific Hypercarb (100 x 4.6 mm,3um) |
| MS Type | ESI | ESI |
| MS instrument type | Triple TOF | Triple TOF |
| MS instrument name | ABI Sciex 6600 TripleTOF | ABI Sciex 6600 TripleTOF |
| Ion Mode | POSITIVE | NEGATIVE |
| Units | peak area | peak area |
MS:
| MS ID: | MS003596 |
| Analysis ID: | AN003855 |
| Instrument Name: | ABI Sciex 6600 TripleTOF |
| Instrument Type: | Triple TOF |
| MS Type: | ESI |
| MS Comments: | Data were collected using an information-dependent analysis (IDA) workflow consisting of a TOF MS scan (200 msec) and a high-resolution IDA experiment (70 msec each) monitoring 10 candidate ions per cycle. Former target ions were excluded after 2 occurrences for 5 seconds and dynamic background subtraction was employed. The mass range for both TOF MS and IDA MS/MS scans was 60-1000. Ion spray voltage = 5000 V; ion source gas 1 (GS1) = 50 psi, ion source gas 2 (GS2) = 50 psi, curtain gas (CUR) = 30 psi, temperature (TEM) = 400 oC. declustering potential (DP) = 35 V, collision energy (CE) = 30 V, collision energy spread (CES) = 20 V. El-MAVEN software (Elucidata.io) was used for peak picking and curation from house built targeted and untargeted libraries. Targeted libraries were developed using a commercial standard kit of ~600 metabolites (IROA Technologies) in each mode, yielding reference data (molecular ions and retention times) with wide coverage of the endogenous metabolome. Untargeted libraries contained ~2,700 metabolites drawn from the KEGG database where the top 5 candidates with the highest intensity throughout a sample run for each metabolite were automatically curated. |
| Ion Mode: | POSITIVE |
| MS ID: | MS003597 |
| Analysis ID: | AN003856 |
| Instrument Name: | ABI Sciex 6600 TripleTOF |
| Instrument Type: | Triple TOF |
| MS Type: | ESI |
| MS Comments: | Data were collected using an information-dependent analysis (IDA) workflow consisting of a TOF MS scan (200 msec) and a high-resolution IDA experiment (70 msec each) monitoring 10 candidate ions per cycle. Former target ions were excluded after 2 occurrences for 5 seconds and dynamic background subtraction was employed. The mass range for both TOF MS and IDA MS/MS scans was 70-1000. Ion spray voltage = -4500V, ion source gas 1 (GS1) = 50 psi, ion source gas 2 (GS2) = 50 psi, curtain gas (CUR) = 30 psi, temperature (TEM) = 500 oC.declustering potential (DP) = 35 V, collision energy (CE) = 30 V, collision energy spread (CES) = 20 V. El-MAVEN software (Elucidata.io) was used for peak picking and curation from house built targeted and untargeted libraries. Targeted libraries were developed using a commercial standard kit of ~600 metabolites (IROA Technologies) in each mode, yielding reference data (molecular ions and retention times) with wide coverage of the endogenous metabolome. Untargeted libraries contained ~2,700 metabolites drawn from the KEGG database where the top 5 candidates with the highest intensity throughout a sample run for each metabolite were automatically curated. |
| Ion Mode: | NEGATIVE |
