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MB Sample ID: SA237434

Local Sample ID:LPS_3
Subject ID:SU002468
Subject Type:Cultured cells
Subject Species:Mus musculus
Taxonomy ID:10090

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Combined analysis:

Analysis ID AN003877 AN003878
Analysis type MS MS
Chromatography type HILIC HILIC
Chromatography system Thermo Dionex Ultimate 3000 Thermo Dionex Ultimate 3000
Column Waters XBridge Amide (100 x 4.6mm,3.5um) Waters XBridge Amide (100 x 4.6mm,3.5um)
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q Exactive Plus Orbitrap Thermo Q Exactive Plus Orbitrap
Ion Mode POSITIVE NEGATIVE
Units Fractional enrichment Fractional enrichment

MS:

MS ID:MS003618
Analysis ID:AN003877
Instrument Name:Thermo Q Exactive Plus Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:For each sample, 3 µL solution was injected into the LC-MS for analysis. The HPLC analysis of the isotope-labeled samples was performed using Ultimate 3000 UHPLC (Dionex) as described (Duan et al., 2022). The mass spectrometry analysis was performed using Q Exactive Plus mass spectrometer (Thermo Fisher Scientific). The mass spectrometers were equipped with a HESI probe and operated in the positive/negative switching mode. When Q Exactive Plus mass spectrometer was used, the relevant parameters were as listed: heater temperature, 120 °C; sheath gas, 30; auxiliary gas, 10; sweep gas, 3; spray voltage, 3.0 kV; capillary temperature, 320°C; S-lens, 55. The resolution was set at 70,000 (at m/z 200). Maximum injection time (max IT) was set at 200 ms and automated gain control (AGC) was set at 3 × 106. The LC-MS peak extraction and integration of the raw data were performed using commercially available software Sieve 2.0 (Thermo Fisher Scientific). The integrated peak area was used to calculate 13C enrichment. Natural abundance correction was performed using software R with Bioconductor R package IsoCorrectoR.
Ion Mode:POSITIVE
  
MS ID:MS003619
Analysis ID:AN003878
Instrument Name:Thermo Q Exactive Plus Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:For each sample, 3 µL solution was injected into the LC-MS for analysis. The HPLC analysis of the isotope-labeled samples was performed using Ultimate 3000 UHPLC (Dionex) as described (Duan et al., 2022). The mass spectrometry analysis was performed using Q Exactive Plus mass spectrometer (Thermo Fisher Scientific). The mass spectrometers were equipped with a HESI probe and operated in the positive/negative switching mode. When Q Exactive Plus mass spectrometer was used, the relevant parameters were as listed: heater temperature, 120 °C; sheath gas, 30; auxiliary gas, 10; sweep gas, 3; spray voltage, 3.0 kV; capillary temperature, 320°C; S-lens, 55. The resolution was set at 70,000 (at m/z 200). Maximum injection time (max IT) was set at 200 ms and automated gain control (AGC) was set at 3 × 106. The LC-MS peak extraction and integration of the raw data were performed using commercially available software Sieve 2.0 (Thermo Fisher Scientific). The integrated peak area was used to calculate 13C enrichment. Natural abundance correction was performed using software R with Bioconductor R package IsoCorrectoR.
Ion Mode:NEGATIVE
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