Summary of Study ST001184

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 PR000797. The data can be accessed directly via it's Project DOI: 10.21228/M8NT2T 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 IDST001184
Study TitleSulfonates in marine plankton
Study SummaryC2- and C3-sulfonates were quantified in marine plankton particulate samples.
Institute
University of Washington
DepartmentOceanography
LaboratoryIngalls
Last NameDurham
First NameBryndan
AddressBenjamin Hall Rm 330
Emailbpdurham@uw.edu
Phone206-685-4196
Submit Date2019-03-29
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2019-07-03
Release Version1
Bryndan Durham Bryndan Durham
https://dx.doi.org/10.21228/M8NT2T
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR000797
Project DOI:doi: 10.21228/M8NT2T
Project Title:Sulfonates in marine plankton
Project Summary:C2- and C3-sulfonates were quantified in marine plankton particulate samples.
Institute:University of Washington
Department:Oceanography
Laboratory:Ingalls
Last Name:Durham
First Name:Bryndan
Address:Benjamin Hall Rm 330
Email:bpdurham@uw.edu
Phone:206-685-4196
Funding Source:NSF and Simons Foundation
Publications:Durham et al., Nature Microbiology

Subject:

Subject ID:SU001252
Subject Type:Other
Subject Species:Marine Plankton
Species Group:Plankton

Factors:

Subject type: Other; Subject species: Marine Plankton (Factor headings shown in green)

mb_sample_id local_sample_id Replicate
SA082255160627_Smp_9R11
SA082256160627_Smp_6R11
SA082257160705_Smp_16R21
SA082258160705_Smp_17R11
SA082259160627_Smp_8R11
SA082260160705_Smp_15R11
SA082261160705_Smp_13R11
SA082262160627_Smp_3R11
SA082263160705_Smp_11R11
SA082264160705_Smp_12R11
SA082265160627_Smp_10R11
SA082266160705_Smp_18R11
SA082267160705_Smp_14R11
SA082268160627_Smp_2R11
SA082269160705_Smp_20R11
SA082270160627_Smp_4R11
SA082271160627_Smp_5R11
SA082272160705_Smp_19R11
SA082273160627_Smp_7R11
SA082274pooled sample1
SA082275160627_Smp_1R11
SA082276160705_Smp_14R22
SA082277160627_Smp_4R22
SA082278160705_Smp_13R22
SA082279160705_Smp_20R22
SA082280160705_Smp_12R22
SA082281160627_Smp_5R22
SA082282160627_Smp_6R22
SA082283160627_Smp_9R22
SA082284160627_Smp_10R22
SA082285160705_Smp_15R22
SA082286160627_Smp_8R22
SA082287160705_Smp_17R22
SA082288160627_Smp_3R22
SA082289160627_Smp_1R22
SA082290160711_Smp_11R22
SA082291160711_Smp_16R22
SA082292160627_Smp_7R22
SA082293160705_Smp_19R22
SA082294160627_Smp_2R22
SA082295160711_Smp_18R22
SA082296160627_Smp_6R33
SA082297160627_Smp_3R33
SA082298160627_Smp_7R33
SA082299160627_Smp_8R33
SA082300160627_Smp_10R33
SA082301160627_Smp_9R33
SA082302160711_Smp_14R33
SA082303160627_Smp_1R33
SA082304160705_Smp_17R33
SA082305160711_Smp_18R33
SA082306160627_Smp_4R33
SA082307160705_Smp_20R33
SA082308160705_Smp_19R33
SA082309160627_Smp_5R33
SA082310160705_Smp_16R33
SA082311160705_Smp_13R33
SA082312160627_Smp_2R33
SA082313160711_Smp_11R33
SA082314160705_Smp_15R33
SA082315160711_Smp_12R33
SA082316170117_Smp_Och_AA
SA082317161107_Smp_2090_AA
SA082318161107_Smp_SA30_AA
SA082319161107_Smp_SA42_AA
SA082320170117_Smp_SA48_AA
SA082321161116_Smp_SA16_AA
SA082322170117_Smp_SA11_AA
SA082323170117_Smp_DSS3_AA
SA082324161116_Smp_SA7_AA
SA082325161107_Smp_SA33_AA
SA082326170821_Smp_As9601_AA
SA082327161107_Smp_To_AA
SA082328161107_Smp_Tp_AA
SA082329170821_Smp_1771_AA
SA082330170821_Smp_1314_AA
SA082331170213_Smp_Pcx_AA
SA082332170213_Smp_Pt_AA
SA082333161107_Smp_371_AA
SA082334161107_Smp_Cy_AA
SA082335161107_Smp_Np_AA
SA082336161107_Smp_SA55_AA
SA082337170821_Smp_449_AA
SA082338161114_Smp_8102_AA
SA082339161116_Smp_SA60_AA
SA082340170117_Smp_SA36_AA
SA082341161116_Smp_SA59_AA
SA082342170821_Smp_2021_AA
SA082343170821_Smp_Nat_AA
SA082344180227_Smp_3430_AA
SA082345170117_Smp_SA53_AA
SA082346170821_Smp_1314P_AA
SA082347170821_Smp_1545_AA
SA082348161107_Smp_SA42_BB
SA082349170117_Smp_SA53_BB
SA082350170117_Smp_DSS3_BB
SA082351161107_Smp_371_BB
SA082352170821_Smp_As9601_BB
SA082353170821_Smp_1314P_BB
SA082354161107_Smp_Cy_BB
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Collection:

Collection ID:CO001246
Collection Summary:Cultured marine plankton cells grown to mid-to-late exponential phase were filtered onto 0.2-micron filters and extracted for metabolites as described in methods. Environmental plankton samples were collected onto 0.2-micron filters during a diel study (Diel_study_StationCastNumber) in the North Pacific.
Sample Type:Plankton cells

Treatment:

Treatment ID:TR001267
Treatment Summary:Marine plankton cells were cultured according to standard protocols, and environmental samples were collected in situ.

Sample Preparation:

Sampleprep ID:SP001260
Sampleprep Summary:Marine plankton cells were extracted using the described protocols.
Sampleprep Protocol Filename:SP_Ingalls_extraction_protocol.pdf

Combined analysis:

Analysis ID AN001970 AN001971 AN001972 AN001973 AN001974
Analysis type MS MS MS MS MS
Chromatography type HILIC HILIC HILIC HILIC HILIC
Chromatography system 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)
MS Type ESI ESI ESI ESI ESI
MS instrument type Triple quadrupole Triple quadrupole Orbitrap Orbitrap Orbitrap
MS instrument name 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
Ion Mode NEGATIVE NEGATIVE NEGATIVE NEGATIVE POSITIVE
Units nanomolar in extraction vial picomoles per liter of filtered seawater peak area per liter of filtered seawater peak area Peak area

Chromatography:

Chromatography ID:CH001425
Methods Filename:CH_Ingalls_LC_protocol.pdf
Instrument Name:Waters Acquity I-Class
Column Name:SeQuant ZIC-pHILIC (150 x 2.1mm,5um)
Column Temperature:30
Flow Rate:0.15 mL/min
Solvent A:85% acetonitrile/15% water; 10 mM ammonium carbonate
Solvent B:40% acetonitrile/60% water; 10 mM ammonium carbonate
Chromatography Type:HILIC

MS:

MS ID:MS001824
Analysis ID:AN001970
Instrument Name:Waters Xevo TQ-S
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:See protocol.
Ion Mode:NEGATIVE
Analysis Protocol File:MS_Ingalls_MS_protocol.pdf
  
MS ID:MS001825
Analysis ID:AN001971
Instrument Name:Waters Xevo TQ-S
Instrument Type:Triple quadrupole
MS Type:ESI
MS Comments:See protocol.
Ion Mode:NEGATIVE
Analysis Protocol File:MS_Ingalls_MS_protocol.pdf
  
MS ID:MS001826
Analysis ID:AN001972
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:See protocol.
Ion Mode:NEGATIVE
Analysis Protocol File:MS_Ingalls_MS_protocol.pdf
  
MS ID:MS001827
Analysis ID:AN001973
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:See protocol.
Ion Mode:NEGATIVE
Analysis Protocol File:MS_Ingalls_MS_protocol.pdf
  
MS ID:MS001828
Analysis ID:AN001974
Instrument Name:Thermo Q Exactive HF hybrid Orbitrap
Instrument Type:Orbitrap
MS Type:ESI
MS Comments:See protocol.
Ion Mode:POSITIVE
Analysis Protocol File:MS_Ingalls_MS_protocol.pdf
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