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MB Sample ID: SA332320

Local Sample ID:T3_6
Subject ID:SU003189
Subject Type:Synthetic sample

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Combined analysis:

Analysis ID AN005032
Analysis type MS
Chromatography type Reversed phase
Chromatography system Thermo Vanquish
Column Merck Supelco Ascentis Express C18 (150 x 2.1mm,2.7um)
MS Type ESI
MS instrument type Orbitrap
MS instrument name Thermo Q Exactive Orbitrap
Ion Mode POSITIVE
Units NA

MS:

MS ID:MS004771
Analysis ID:AN005032
Instrument Name:Thermo Q Exactive Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:MS data acquisition was performed using a Q Exactive Orbitrap benchtop orbitrap mass spectrometer equipped with an Ion Max source and a HESI II probe (Thermo Fisher Scientific, San Jose, CA, USA)in positive ionization mode and a PRM acquisition with the resolution set at 17,500, the AGC target at 2 × 10^5, and the maximum injection time (Max IT) at 40 msec. Collision energies were set at 20,40,60 and 80 NCE. Inclusion list was 651.7973 m/z for T3 and 777.6940 m/z for T4. HESI conditions were as follows: sheath gas flow rate: 40 units; Aug gas flow rate: 10 units; sweet gas flow rate: 0; spray voltage: 3.5 kV (pos), 2.8 kV (neg); capillary temperature: 380 °C; S-lens RF: 60; Aux gas heater temperature: 420 °C. MS spectra were consolidated using the mzVault software, automatically thresholded for noise and recalibrated for mass error.
Ion Mode:POSITIVE
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