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MB Sample ID: SA096395

Local Sample ID:GCMS_9W5
Subject ID:SU001402
Subject Type:Mammal
Subject Species:Mus musculus
Taxonomy ID:10090
Genotype Strain:C57BL/6
Age Or Age Range:8-10 weeks old
Gender:Male and female
Animal Feed:ad libitum
Animal Water:ad libitum
Species Group:Mammals

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Combined analysis:

Analysis ID AN002211 AN002212 AN002213 AN002214
Analysis type MS MS MS MS
Chromatography type Reversed phase Reversed phase GC CE
Chromatography system Agilent 1200 Agilent 1200 Agilent 7890B Agilent 7100 CE
Column Agilent Poroshell 120 EC-C8 (150 x 2.1mm,2.7um) Agilent Poroshell 120 EC-C8 (150 x 2.1mm,2.7um) Agilent DB5-MS (30m x 0.25mm, 0.25um) Agilent bare-fused silica capillary (96 cm x 50 um i.d.)
MS Type ESI ESI EI ESI
MS instrument type QTOF QTOF QTOF TOF
MS instrument name Agilent 6520 QTOF Agilent 6520 QTOF Agilent 7200 QTOF Agilent 6224 TOF
Ion Mode POSITIVE NEGATIVE POSITIVE POSITIVE
Units Abundance Abundance Abundance Abundance

MS:

MS ID:MS002057
Analysis ID:AN002211
Instrument Name:Agilent 6520 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:Mass spectrometry detection was performed in positive ESI mode in a full scan from 100 to 1000 m/z. Samples were analyzed in separate runs (positive and negative ionization modes), in a randomized order. Capillary voltage was set to 4.5 kV; the drying gas flow rate was 10 L·min-1 at 350 °C and gas nebulizer at 40 psi; fragmentor voltage, skimmer voltage and octopole radio frequency voltage were set to 175, 65 and 750 V, respectively. Data were collected at a scan rate of 1.05 spectra·s-1. The resulting LC-QTOF/MS data files were cleaned of background noise and unrelated ions by the Batch Recursive Feature Extraction tool with Agilent MassHunter Profinder software version B.06.00. Data were extracted using data mining algorithms of the software.
Ion Mode:POSITIVE
Capillary Voltage:4.5 kV
Dry Gas Flow:10 L·min-1
Dry Gas Temp:350 °C
Gas Pressure:40 psi
Octpole Voltage:750 V
  
MS ID:MS002058
Analysis ID:AN002212
Instrument Name:Agilent 6520 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:Mass spectrometry detection was performed in negative ESI mode in a full scan from 100 to 1000 m/z. Samples were analyzed in separate runs (positive and negative ionization modes), in a randomized order. Capillary voltage was set to 4.5 kV; the drying gas flow rate was 10 L·min-1 at 350 °C and gas nebulizer at 40 psi; fragmentor voltage, skimmer voltage and octopole radio frequency voltage were set to 175, 65 and 750 V, respectively. Data were collected at a scan rate of 1.05 spectra·s-1. The resulting LC-QTOF/MS data files were cleaned of background noise and unrelated ions by the Batch Recursive Feature Extraction tool with Agilent MassHunter Profinder software version B.06.00. Data were extracted using data mining algorithms of the software.
Ion Mode:NEGATIVE
Capillary Voltage:4.5 kV
Dry Gas Flow:10 L·min-1
Dry Gas Temp:350 °C
Gas Pressure:40 psi
Octpole Voltage:750 V
  
MS ID:MS002059
Analysis ID:AN002213
Instrument Name:Agilent 7200 QTOF
Instrument Type:QTOF
MS Type:EI
MS Comments:The analysis was performed on an Agilent Technologies 7200 accurate mass Q/TOF analyzer equipped with an electron ionization (EI) source.The MS scan mode was chosen as the acquisition mode, with the mass range of 50-650 m/z and an acquisition rate of 10 spectra·s-1. The individual analytical fingerprints obtained were deconvoluted using MassHunter Unknown Analysis version B.07.00.
Ion Mode:POSITIVE
  
MS ID:MS002060
Analysis ID:AN002214
Instrument Name:Agilent 6224 TOF
Instrument Type:TOF
MS Type:ESI
MS Comments:The optimized MS parameters were: fragmentor 125 V, Skimmer 65 V, octopole 750 V, nebulizer pressure 10 psi, drying gas temperature at 200 °C and flow rate 10.0 L·min-1. The capillary voltage was 3500 V. Data were acquired in positive electrospray ionization (ESI) mode with a full scan from m/z 50 to 1000 at a rate of 1 spectra·s-1. The resulting CE-TOF/MS data files were cleaned of background noise and unrelated ions by the Batch Recursive Feature Extraction tool with Agilent MassHunter Profinder version B.06.00 software. Data were extracted using a data mining algorithm based on the software.
Ion Mode:POSITIVE
Capillary Voltage:3.5 kV
Dry Gas Flow:10 L·min-1
Octpole Voltage:750 V
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