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MB Sample ID: SA247299

Local Sample ID:PCC11801 60 SEC SWATH1-1 BR1
Subject ID:SU002556
Subject Type:Bacteria
Subject Species:Synechococcus elongatus
Taxonomy ID:2219813

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Combined analysis:

Analysis ID AN004022
Analysis type MS
Chromatography type Reversed phase
Chromatography system Shimadzu 20AD
Column Phenomenex Synergi Hydro RP 100 A (100 x 2mm, 2.5um)
MS Type ESI
MS instrument type QTOF
MS instrument name ABI Sciex 5600+ TripleTOF
Ion Mode NEGATIVE
Units Relative Abundance of Isotopologues

MS:

MS ID:MS003769
Analysis ID:AN004022
Instrument Name:ABI Sciex 5600+ TripleTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The data was acquired with SWATH methods. The details of SWATH methods can be found in the article https://doi.org/10.1016/j.isci.2020.101704. The quantification of MID of metabolites and fragment ions was performed by integrating the area under the curve of precursor and fragment isotopologues using MultiQuant 3.0.1 (Sciex, Framingham, MA) from the Q1 isolation window of the SWATH program, where all the precursor isotopologues of the respective metabolite were present. The peak areas were used to estimate precursor and product MID: mi=Mi/(∑(j=0)^n Mj ) where mi and Mi represent the normalized relative and unnormalized isotopologue abundance for each precursor/fragment ion in which i 13C atoms are incorporated, and n represents the number of carbon.
Ion Mode:NEGATIVE
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