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MB Sample ID: SA094351

Local Sample ID:Ku80_3_shield
Subject ID:SU001378
Subject Type:Cultured cells
Subject Species:Toxoplasma gondii
Taxonomy ID:5811

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Combined analysis:

Analysis ID AN002172 AN002173
Analysis type MS MS
Chromatography type HILIC HILIC
Chromatography system Thermo Dionex Ultimate 3000 RSLC Thermo Dionex Ultimate 3000 RSLC
Column ZIC-pHILIC,Merck ZIC-pHILIC,Merck
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q Exactive Orbitrap Thermo Q Exactive Orbitrap
Ion Mode POSITIVE NEGATIVE
Units Signal Intensity Signal Intensity

MS:

MS ID:MS002021
Analysis ID:AN002172
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:DPSOHV  ȝ/ ZHUH injected onto a Dionex RSLC U3000 LC system (Thermo) fitted with a ZIC-pHILIC column  ȝP SDUWLFOH VL]H  E\  PP 0HUFN DQG  P0 DPPRQLXP FDUERQDWH $ DQG acetonitrile (B) were used as the mobile phases. A 30 min gradient starting from 80% B to 40% B over 20 min, followed by washing at 5% B for 3 min and re-equilibration at 80% B, was used. MS utilised a Q-Exactive Orbitrap MS (Thermo) with a heated electrospray source operating in positive and negative modes (rapid switching) and a mass resolution of 35,000 from m/z 85 to 1,050. Sample injections within the experiment were randomized to avoid any impact of systematic instrument drift on metabolite signals. Retention times for ~350 authentic standards were checked manually to aid metabolite identification. Metabolomics data sets were analysed using IDEOM. Raw files were converted to mzXML with msconvert, extraction of LC-MS peak signals was conducted with the Centwave algorithm in XCMS, alignment of samples and filtering of artefacts with mzMatch, and additional data filtering and metabolite identification in IDEOM.
Ion Mode:POSITIVE
  
MS ID:MS002022
Analysis ID:AN002173
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:DPSOHV  ȝ/ ZHUH injected onto a Dionex RSLC U3000 LC system (Thermo) fitted with a ZIC-pHILIC column  ȝP SDUWLFOH VL]H  E\  PP 0HUFN DQG  P0 DPPRQLXP FDUERQDWH $ DQG acetonitrile (B) were used as the mobile phases. A 30 min gradient starting from 80% B to 40% B over 20 min, followed by washing at 5% B for 3 min and re-equilibration at 80% B, was used. MS utilised a Q-Exactive Orbitrap MS (Thermo) with a heated electrospray source operating in positive and negative modes (rapid switching) and a mass resolution of 35,000 from m/z 85 to 1,050. Sample injections within the experiment were randomized to avoid any impact of systematic instrument drift on metabolite signals. Retention times for ~350 authentic standards were checked manually to aid metabolite identification. Metabolomics data sets were analysed using IDEOM. Raw files were converted to mzXML with msconvert, extraction of LC-MS peak signals was conducted with the Centwave algorithm in XCMS, alignment of samples and filtering of artefacts with mzMatch, and additional data filtering and metabolite identification in IDEOM.
Ion Mode:NEGATIVE
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