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MB Sample ID: SA338107

Local Sample ID:QC09
Subject ID:SU003237
Subject Type:Cultured cells
Subject Species:Mus musculus
Taxonomy ID:10090

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Combined analysis:

Analysis ID AN005114
Analysis type MS
Chromatography type HILIC
Chromatography system Vanquish UHPLC
Column Atlantis Premier BEH Z-HILIC (100 x 2.1 mm, 1.7 um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Fisher Scientific Orbitrap Exploris  240
Ion Mode NEGATIVE
Units counts per second (cps)

MS:

MS ID:MS004851
Analysis ID:AN005114
Instrument Name:Thermo Fisher Scientific Orbitrap Exploris  240
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:Analytes were recorded via a full scan with a mass resolving power of 120,000 over a mass range from 60 – 900 m/z (scan time: 100 ms, RF lens: 70%). To obtain MS/MS fragment spectra, data-dependant acquisition was carried out (resolving power: 15,000; scan time: 22 ms; stepped collision energies [%]: 30/50/70; cycle time: 900 ms). Ion source parameters were set to the following values: spray voltage: 4100 V (positive mode) / -3500 V (negative mode), sheath gas: 30 psi, auxiliary gas: 5 psi, sweep gas: 0 psi, ion transfer tube temperature: 350°C, vaporizer temperature: 300°C. All experimental samples were measured in a randomized manner. Pooled quality control (QC) samples were prepared by mixing equal aliquots from each processed sample. Multiple QCs were injected at the beginning of the analysis in order to equilibrate the analytical system. A QC sample was analyzed after every 5th experimental sample to monitor instrument performance throughout the sequence. For determination of background signals and subsequent background subtraction, an additional processed blank sample was recorded. Data was processed using MS-DIAL and raw peak intensities for relative metabolite quantification. Feature identification was based on accurate mass, isotope pattern, MS/MS fragment scoring and retention time matching to an inhouse library. (Data was acquired on both the positive and the negative modes and the respective raw files are deposited. However, we have processed the data acquired only on the negative mode.)
Ion Mode:NEGATIVE
Analysis Protocol File:LC_MS_MS_Full_Protocol.pdf
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