Summary of Study ST002159

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench, https://www.metabolomicsworkbench.org, where it has been assigned Project ID PR001372. The data can be accessed directly via it's Project DOI: 10.21228/M8CH8H This work is supported by NIH grant, U2C- DK119886.

See: https://www.metabolomicsworkbench.org/about/howtocite.php

This study contains a large results data set and is not available in the mwTab file. It is only available for download via FTP as data file(s) here.

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Study IDST002159
Study TitleChemotaxonomic patterns in intracellular metabolites of marine microbial plankton
Study SummaryTargeted and untargeted metabolomes were generated for a variety of marine microbial taxa including eukaryotic phytoplankton, cyanobacteria, archaea, and heterotrophic bacteria. Microbial metabolism generates small organic molecules that reflect both the biochemical and physiological diversity as well as the taxonomic specificity of biological processes. These small molecules serve as the conduit for taxon-specific signaling and exchange. We used liquid chromatography-mass spectrometry (LC-MS)-based metabolomics to taxonomically categorize metabolites that include small molecules in central and secondary metabolism across 42 taxa representing numerically dominant and metabolically important lineages of microbial autotrophs and heterotrophs.
Institute
University of Washington
DepartmentOceanography
LaboratoryIngalls
Last NameDurham
First NameBryndan
Address2033 Mowry Rd., CGRCRm 404
Emailb.durham@ufl.edu
Phone3522946312
Submit Date2021-12-10
Raw Data AvailableYes
Raw Data File Type(s)mzXML
Analysis Type DetailLC-MS
Release Date2022-05-16
Release Version1
Bryndan Durham Bryndan Durham
https://dx.doi.org/10.21228/M8CH8H
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Combined analysis:

Analysis ID AN003535 AN003536 AN003537 AN003538
Analysis type MS MS MS MS
Chromatography type HILIC HILIC HILIC Reversed phase
Chromatography system 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) Waters Acquity UPLC HSS Cyano (100 x 2.1 mm, 1.8um)
MS Type ESI ESI ESI ESI
MS instrument type Triple quadrupole Orbitrap Orbitrap Orbitrap
MS instrument name Waters Xevo-TQ-S Thermo Q Exactive HF hybrid Orbitrap Thermo Q Exactive HF hybrid Orbitrap Thermo Q Exactive HF hybrid Orbitrap
Ion Mode UNSPECIFIED POSITIVE NEGATIVE POSITIVE
Units presence (1), absence (0), or background level (NA) presence (1), absence (0), or background level (NA) presence (1), absence (0), or background level (NA) presence (1), absence (0), or background level (NA)

Chromatography:

Chromatography ID:CH002611
Chromatography Summary:For HILIC chromatography, a SeQuant ZIC-pHILIC column (5 µm 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 60:40 water to acetonitrile (Solvent B) at a flow rate of 0.15 mL/min.
Methods Filename:CH_Ingalls_LC_protocol.pdf
Instrument Name:Waters Acquity I-Class
Column Name:SeQuant ZIC- pHILIC (150 x 2.1mm, 5um)
Chromatography Type:HILIC
  
Chromatography ID:CH002612
Chromatography Summary:For reversed phase (RP) chromatography, a Waters Acquity UPLC HSS Cyano column (1.8 µm particle size, 2.1 mm x 100 mm) equipped with a Waters Acquity UPLC HSS Cyano guard column (1.8 µm particle size, 2.1 mm x 5 mm) was used with 0.1% formic acid in water (Solvent A) and 0.1% formic acid in acetonitrile (Solvent B) at a flow rate of 0.4 mL/ min.
Methods Filename:CH_Ingalls_LC_protocol.pdf
Instrument Name:Waters Acquity I-Class
Column Name:Waters Acquity UPLC HSS Cyano (100 x 2.1 mm, 1.8um)
Chromatography Type:Reversed phase
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