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MB Sample ID: SA174198

Local Sample ID:P H-514
Subject ID:SU001930
Subject Type:Mammal
Subject Species:Mesocricetus auratus
Taxonomy ID:10036

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Combined analysis:

Analysis ID AN003001 AN003002 AN003003 AN003004
Analysis type MS MS MS MS
Chromatography type HILIC HILIC Reversed phase Reversed phase
Chromatography system Agilent 1290 Infinity II Agilent 1290 Infinity II Agilent 1290 Infinity II Agilent 1290 Infinity II
Column SeQuant ZIC-pHILIC (100 x 2.1mm,5um) including a ZIC-pHILIC guard (2.1 mm x 20 mm,5um) SeQuant ZIC-pHILIC (100 x 2.1mm,5um) including a ZIC-pHILIC guard (2.1 mm x 20 mm,5um) Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um) including an Acquity UPLC® HSS T3 VanGuard Pre-Column (2.1 x 5mm,1.8 µm) Waters ACQUITY UPLC HSS T3 (150 x 2.1mm,1.8um) including an Acquity UPLC® HSS T3 VanGuard Pre-Column (2.1 x 5mm,1.8 µm)
MS Type ESI ESI ESI ESI
MS instrument type QTOF QTOF QTOF QTOF
MS instrument name Agilent 6540 QTOF Agilent 6540 QTOF Agilent 6545 QTOF Agilent 6545 QTOF
Ion Mode POSITIVE NEGATIVE POSITIVE NEGATIVE
Units Relative Intensity Relative Intensity Relative Intensity Relative Intensity

MS:

MS ID:MS002790
Analysis ID:AN003001
Instrument Name:Agilent 6540 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:gas temperature 200 C, drying gas flow 10 L*min-1, nebulizer pressure 44 psi, sheath gas temperature 300 C, sheath gas flow 12 L*min-1, VCap 3000 V, nozzle voltage 2000 V, Fragmentor 100 V, Skimmer 65 V, Oct 1 RF Vpp 750 V, and m/z range 50-1700. Data were acquired under continuous reference mass correction at m/z 121.0509 and 922.0890 for positive ion mode and m/z 119.0363 and 966.0007 for negative ion mode. Polar metabolite identifications were supported by matching the retention time, accurate mass, and MS/MS fragmentation data to our in-house retention time and MS/MS library created from authentic reference standards (Mass Spectrometry Metabolite Library supplied by IROA Technologies, Millipore Sigma, St. Louis, MO, USA) and online MS/MS libraries (Human Metabolome Database (HMDB, https://hmdb.ca), Mass Bank of North America (MoNA, https://mona.fiehnlab.ucdavis.edu/), and mzCloud (https://mzcloud.org). Lipid iterative MS/MS data were annotated with the Agilent Lipid Annotator software. All data files were then analyzed in Skyline (Version 20.1.0.155) to obtain peak areas.
Ion Mode:POSITIVE
  
MS ID:MS002791
Analysis ID:AN003002
Instrument Name:Agilent 6540 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:gas temperature 200 C, drying gas flow 10 L*min-1, nebulizer pressure 44 psi, sheath gas temperature 300 C, sheath gas flow 12 L*min-1, VCap 3000 V, nozzle voltage 2000 V, Fragmentor 100 V, Skimmer 65 V, Oct 1 RF Vpp 750 V, and m/z range 50-1700. Data were acquired under continuous reference mass correction at m/z 121.0509 and 922.0890 for positive ion mode and m/z 119.0363 and 966.0007 for negative ion mode. Polar metabolite identifications were supported by matching the retention time, accurate mass, and MS/MS fragmentation data to our in-house retention time and MS/MS library created from authentic reference standards (Mass Spectrometry Metabolite Library supplied by IROA Technologies, Millipore Sigma, St. Louis, MO, USA) and online MS/MS libraries (Human Metabolome Database (HMDB, https://hmdb.ca), Mass Bank of North America (MoNA, https://mona.fiehnlab.ucdavis.edu/), and mzCloud (https://mzcloud.org). Lipid iterative MS/MS data were annotated with the Agilent Lipid Annotator software. All data files were then analyzed in Skyline (Version 20.1.0.155) to obtain peak areas.
Ion Mode:NEGATIVE
  
MS ID:MS002792
Analysis ID:AN003003
Instrument Name:Agilent 6545 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:gas temperature 250 C, drying gas flow 11 L*min-1, nebulizer pressure 35 psi, sheath gas temperature 300 C, sheath gas flow 12 L*min-1, VCap 3000 V, nozzle voltage 500 V, Fragmentor 160 V, Skimmer 65 V, Oct 1 RF Vpp 750 V, and m/z range 50-1700. Data were acquired under continuous reference mass correction at m/z 121.0509 and 922.0890 in positive ion mode and m/z 119.0363 and 966.0007 in negative ion mode. Polar metabolite identifications were supported by matching the retention time, accurate mass, and MS/MS fragmentation data to our in-house retention time and MS/MS library created from authentic reference standards (Mass Spectrometry Metabolite Library supplied by IROA Technologies, Millipore Sigma, St. Louis, MO, USA) and online MS/MS libraries (Human Metabolome Database (HMDB, https://hmdb.ca), Mass Bank of North America (MoNA, https://mona.fiehnlab.ucdavis.edu/), and mzCloud (https://mzcloud.org). Lipid iterative MS/MS data were annotated with the Agilent Lipid Annotator software. All data files were then analyzed in Skyline (Version 20.1.0.155) to obtain peak areas.
Ion Mode:POSITIVE
  
MS ID:MS002793
Analysis ID:AN003004
Instrument Name:Agilent 6545 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:gas temperature 250 C, drying gas flow 11 L*min-1, nebulizer pressure 35 psi, sheath gas temperature 300 C, sheath gas flow 12 L*min-1, VCap 3000 V, nozzle voltage 500 V, Fragmentor 160 V, Skimmer 65 V, Oct 1 RF Vpp 750 V, and m/z range 50-1700. Data were acquired under continuous reference mass correction at m/z 121.0509 and 922.0890 in positive ion mode and m/z 119.0363 and 966.0007 in negative ion mode. Polar metabolite identifications were supported by matching the retention time, accurate mass, and MS/MS fragmentation data to our in-house retention time and MS/MS library created from authentic reference standards (Mass Spectrometry Metabolite Library supplied by IROA Technologies, Millipore Sigma, St. Louis, MO, USA) and online MS/MS libraries (Human Metabolome Database (HMDB, https://hmdb.ca), Mass Bank of North America (MoNA, https://mona.fiehnlab.ucdavis.edu/), and mzCloud (https://mzcloud.org). Lipid iterative MS/MS data were annotated with the Agilent Lipid Annotator software. All data files were then analyzed in Skyline (Version 20.1.0.155) to obtain peak areas.
Ion Mode:NEGATIVE
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