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MB Sample ID: SA299237

Local Sample ID:180821_Smp_MS8C115m_A.mzML
Subject ID:SU002896
Subject Type:Other organism
Subject Species:Natural mixed marine microbial community

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Combined analysis:

Analysis ID AN004538 AN004539
Analysis type MS MS
Chromatography type HILIC HILIC
Chromatography system Waters Acquity I-Class Waters Acquity I-Class
Column SeQuant ZIC-HILIC (150 x 2.1mm, 5um) SeQuant ZIC-HILIC (150 x 2.1mm, 5um)
MS Type ESI ESI
MS instrument type Orbitrap Orbitrap
MS instrument name Thermo Q Exactive HF hybrid Orbitrap Thermo Q Exactive HF hybrid Orbitrap
Ion Mode POSITIVE NEGATIVE
Units normalized peak area per liter seawater filtered normalized peak area per liter seawater filtered

Chromatography:

Chromatography ID:CH003409
Chromatography Summary:A SeQuant ZIC-pHILIC column (5 um particle size, 2.1 mm x 150 mm, from Millipore) was used with 10 mM ammonium carbonate in 85:15 acetonitrile to water (Solvent A) and 10 mM ammonium carbonate in 85:15 water to acetonitrile (Solvent B) at a flow rate of 0.15 mL/min. This column was compared with a Waters UPLC BEH amide and a Millipore cHILIC column; the pHILIC showed superior reproducibility and peak shapes. The column was held at 100% A for 2 minutes, ramped to 64% B over 18 minutes, ramped to 100% B over 1 minute, held at 100% B for 5 minutes, and equilibrated at 100% A for 25 minutes (50 minutes total). The column was maintained at 30 C. The injection volume was 2 µL for samples and standard mixes. When starting a batch, the column was equilibrated at the starting conditions for at least 30 minutes. To improve the performance of the HILIC column, we maintained the same injection volume, kept the instrument running water blanks between samples as necessary, and injected standards in a representative matrix in addition to standards in water. After each batch, the column was flushed with 10 mM ammonium carbonate in 85:15 water to acetonitrile for 20 to 30 minutes.
Instrument Name:Waters Acquity I-Class
Column Name:SeQuant ZIC-HILIC (150 x 2.1mm, 5um)
Column Temperature:30
Flow Gradient:100% A for 2 minutes, ramped to 64% B over 18 minutes, ramped to 100% B over 1 minute, held at 100% B for 5 minutes, and equilibrated at 100% A for 25 minutes (50 minutes total)
Flow Rate:0.15 mL/min
Solvent A:85% acetonitrile/15% water
Solvent B:15% acetonitrile/85% water
Chromatography Type:HILIC
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