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MB Sample ID: SA323027

Local Sample ID:M3
Subject ID:SU003081
Subject Type:Mammal
Subject Species:Rattus norvegicus
Taxonomy ID:10116

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Combined analysis:

Analysis ID AN004876 AN004877
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Shimadzu 20AD Shimadzu 20AD
Column Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um)
MS Type ESI ESI
MS instrument type Triple TOF Triple TOF
MS instrument name ABI Sciex 5600+ TripleTOF ABI Sciex 5600+ TripleTOF
Ion Mode POSITIVE NEGATIVE
Units log2(peak area) log2 (peak area)

MS:

MS ID:MS004620
Analysis ID:AN004876
Instrument Name:ABI Sciex 5600+ TripleTOF
Instrument Type:Triple TOF
MS Type:ESI
MS Comments:Data was collected in ESI positive ionization mode. The conditions of the ESI source were set as follows: nitrogen was used as nebulizer gas and auxiliary gas, gas 1 (GS1) 55 psi; auxiliary gas (GS2), 55 psi; curtain gas, 35 psi; ion source temperature, 550°C; spray voltage, 5500 V (+). In TOF MS-IDA-MS/MS acquisition, the TOF MS mass scanning range was 100-1250 m/z, and the accumulation time was set to 0.10 s/spectrum. The product ion scanning mass range was 50-1250 m/z, and the accumulation time was set to 0.05 s/spectrum. Independent analysis (IDA) mode was used with high sensitivity mode for product ion scanning. For better spectrum quality in IDA mode, the parameters were set as follows: declustering potential -80 V, collision energy -35 ± 15eV, ion intensity not less than 100 cps, isotopes excluded within 4 Da, ion tolerance 50 mDa, maximum 10 candidate ions monitored per cycle, dynamic background subtraction turned on to improve sensitivity for low abundance or trace analytes. External calibration was performed every 6 samples for TOF MS and TOF MS/MS automatic calibration.
Ion Mode:POSITIVE
  
MS ID:MS004621
Analysis ID:AN004877
Instrument Name:ABI Sciex 5600+ TripleTOF
Instrument Type:Triple TOF
MS Type:ESI
MS Comments:Data was collected in ESI negative ionization mode. The conditions of the ESI source were set as follows: nitrogen was used as nebulizer gas and auxiliary gas, gas 1 (GS1) 55 psi; auxiliary gas (GS2), 55 psi; curtain gas, 35 psi; ion source temperature, 550°C; spray voltage, -4500 V (-). In TOF MS-IDA-MS/MS acquisition, the TOF MS mass scanning range was 100-1250 m/z, and the accumulation time was set to 0.10 s/spectrum. The product ion scanning mass range was 50-1250 m/z, and the accumulation time was set to 0.05 s/spectrum. Independent analysis (IDA) mode was used with high sensitivity mode for product ion scanning. For better spectrum quality in IDA mode, the parameters were set as follows: declustering potential -80 V, collision energy -35 ± 15eV, ion intensity not less than 100 cps, isotopes excluded within 4 Da, ion tolerance 50 mDa, maximum 10 candidate ions monitored per cycle, dynamic background subtraction turned on to improve sensitivity for low abundance or trace analytes. External calibration was performed every 6 samples for TOF MS and TOF MS/MS automatic calibration.
Ion Mode:NEGATIVE
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