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MB Sample ID: SA113435

Local Sample ID:ASWFilterBlk_2
Subject ID:SU001467
Subject Type:Other
Subject Species:Nitzschia lecointei
Taxonomy ID:186028
Gender:Not applicable

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Subject:

Subject ID:SU001467
Subject Type:Other
Subject Species:Nitzschia lecointei
Taxonomy ID:186028
Gender:Not applicable

Factors:

Local Sample IDMB Sample IDFactor Level IDLevel ValueFactor Name
ASWFilterBlk_2SA113435FL014268BlkType
ASWFilterBlk_2SA113435FL014268NASalinity
ASWFilterBlk_2SA113435FL014268NATemp_degC

Collection:

Collection ID:CO001462
Collection Summary:Cultured diatom cells at different salinities and temperatures grown to exponential phase were filtered onto 0.2-micron filters and extracted for metabolites as described in methods. Three dedicated ice cores were sampled from the Chukchi Sea near Utqiaġvik, AK. The bottom 5-cm sections were placed in polycarbonate tubs, allowed to melt at 4°C in artificial seawater, and filtered onto 0.2-micron filters. Filters were extracted for metabolites as described in methods. All filters were frozen in liquid nitrogen immediately after filtration and stored in a -80 C freezer until extraction.
Sample Type:Diatom cells/Particulate matter from sea ice cores
Storage Conditions:Described in summary

Treatment:

Treatment ID:TR001482
Treatment Summary:Diatom cells were cultured in a matrix of two temperatures (–1°C and 4°C) and two salinities (32 and 40) in triplicate. There was no treatment for the sea ice cores – this was a study of how the cultured diatoms compare to the diatom-dominated Arctic sea-ice communities.

Sample Preparation:

Sampleprep ID:SP001475
Sampleprep Summary:Each sample was extracted using a modified Bligh-Dyer extraction. Briefly, filters were cut up and put into 15 mL teflon centrifuge tubes containing a mixture of 100 µm and 400 µm silica beads. Heavy isotope-labeled internal standards were added along with ~2 mL of cold aqueous solvent (50:50 methanol:water) and ~3 mL of cold organic solvent (dichloromethane). The samples were shaken on a FastPrep-24 Homogenizer for 30 seconds and chilled in a -20 °C freezer repeatedly for three cycles of bead-beating and a total of 30 minutes of chilling. The organic and aqueous layers were separated by spinning samples in a centrifuge at 4,300 rpm for 2 minutes at 4 °C. The aqueous layer was removed to a new glass centrifuge tube. The remaining organic fraction was rinsed three more times with additions of 1 to 2 mL of 50:50 methanol:water. All aqueous rinses were combined for each sample and dried down under N2 gas. The remaining organic layer was transferred into a clean glass centrifuge tube and the remaining bead beating tube was rinsed two more times with cold organic solvent. The combined organic rinses were centrifuged, transferred to a new tube, and dried under N2 gas. Dried aqueous fractions were re-dissolved in 380 µL of water. Dried organic fractions were re-dissolved in 380 µL of 1:1 water:acetonitrile. 20 µL of isotope-labeled injection standards in water were added to both fractions. Blank filters were extracted alongside samples as methodological blanks.
Processing Storage Conditions:On ice
Extraction Method:Bligh-Dyer
Extract Storage:-80℃

Combined analysis:

Analysis ID AN002323 AN002324 AN002325 AN002326 AN002327 AN002328 AN002329 AN002330 AN002331
Analysis type MS MS MS MS MS MS MS MS MS
Chromatography type HILIC HILIC HILIC HILIC HILIC HILIC HILIC HILIC Reversed phase
Chromatography system Waters Acquity I-Class Waters Acquity I-Class Waters Acquity I-Class Waters Acquity I-Class Waters Acquity I-Class Waters Acquity I-Class Waters Acquity I-Class Waters Acquity I-Class Waters Acquity I-Class
Column SeQuant ZIC-pHILIC (150 x 2.1mm,5um) SeQuant ZIC-pHILIC (150 x 2.1mm,5um) SeQuant ZIC-pHILIC (150 x 2.1mm,5um) SeQuant ZIC-pHILIC (150 x 2.1mm,5um) SeQuant ZIC-pHILIC (150 x 2.1mm,5um) SeQuant ZIC-pHILIC (150 x 2.1mm,5um) SeQuant ZIC-pHILIC (150 x 2.1mm,5um) SeQuant ZIC-pHILIC (150 x 2.1mm,5um) Waters Acquity UPLC HSS Cyano (100 x 2.1mm,1.8um)
MS Type ESI ESI ESI ESI ESI ESI ESI ESI ESI
MS instrument type Triple quadrupole Triple quadrupole Triple quadrupole Triple quadrupole Orbitrap Orbitrap Orbitrap Orbitrap Triple quadrupole
MS instrument name Waters Xevo-TQ-S Waters Xevo-TQ-S Waters Xevo-TQ-S Waters Xevo-TQ-S Thermo Q Exactive HF hybrid Orbitrap Thermo Q Exactive HF hybrid Orbitrap Thermo Q Exactive HF hybrid Orbitrap Thermo Q Exactive HF hybrid Orbitrap Waters Xevo-TQ-S
Ion Mode POSITIVE POSITIVE NEGATIVE NEGATIVE POSITIVE POSITIVE NEGATIVE NEGATIVE POSITIVE
Units Normalized Peak Area Per L Seawater Normalized Peak Area Per RFU Normalized Peak Area Per L Seawater Normalized Peak Area Per RFU Normalized Peak Area Per L Seawater Normalized Peak Area Per RFU Normalized Peak Area Per L Seawater Normalized Peak Area Per RFU Normalized Peak Area Per RFU

Chromatography:

Chromatography ID:CH001707
Chromatography Summary:See attached summary
Methods Filename:TruxalCarlson_LC_Methods_HD.txt
TruxalCarlson_MS_Methods_HD.txt
Instrument Name:Waters Acquity I-Class
Column Name:SeQuant ZIC-pHILIC (150 x 2.1mm,5um)
Chromatography Type:HILIC
  
Chromatography ID:CH001708
Chromatography Summary:See attached summary
Methods Filename:TruxalCarlson_LC_Methods_HD.txt
TruxalCarlson_MS_Methods_HD.txt
Instrument Name:Waters Acquity I-Class
Column Name:Waters Acquity UPLC HSS Cyano (100 x 2.1mm,1.8um)
Chromatography Type:Reversed phase

MS:

MS ID:MS002165
Analysis ID:AN002323
Instrument Name:Waters Xevo-TQ-S
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:See protocol, data from culture samples
Ion Mode:POSITIVE
  
MS ID:MS002166
Analysis ID:AN002324
Instrument Name:Waters Xevo-TQ-S
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:See protocol, data from field samples
Ion Mode:POSITIVE
  
MS ID:MS002167
Analysis ID:AN002325
Instrument Name:Waters Xevo-TQ-S
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:See protocol, data from culture samples
Ion Mode:NEGATIVE
  
MS ID:MS002168
Analysis ID:AN002326
Instrument Name:Waters Xevo-TQ-S
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:See protocol, data from field samples
Ion Mode:NEGATIVE
  
MS ID:MS002169
Analysis ID:AN002327
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:See protocol, data from culture samples
Ion Mode:POSITIVE
  
MS ID:MS002170
Analysis ID:AN002328
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:See protocol, data from field samples
Ion Mode:POSITIVE
  
MS ID:MS002171
Analysis ID:AN002329
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:See protocol, data from culture samples
Ion Mode:NEGATIVE
  
MS ID:MS002172
Analysis ID:AN002330
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:See protocol, data from field samples
Ion Mode:NEGATIVE
  
MS ID:MS002173
Analysis ID:AN002331
Instrument Name:Waters Xevo-TQ-S
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:See protocol, data from culture samples
Ion Mode:POSITIVE
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