Summary of Study ST002903
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 PR001807. The data can be accessed directly via it's Project DOI: 10.21228/M84Q6N 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.
Study ID | ST002903 |
Study Title | Identification and targeting of microbial putrescine acetylation in bloodstream infections |
Study Type | comparison of septic shock versus control plasma |
Study Summary | To identify bacterial metabolites elevated in human plasma during infection, we performed metabolomics on an existing cohort of patient plasma samples from 21 septic shock patients admitted to the intensive care unit (ICU) with culture positive gram-negative BSIs (Escherichia coli, Klebsiella spp., Pseudomonas spp.) who had banked blood samples drawn contemporaneously or near-contemporaneously with their positive blood cultures as well from 22 controls admitted to the ICU for other reasons. |
Institute | Broad Institute of MIT and Harvard |
Department | Metabolomics Platform |
Last Name | Clish |
First Name | Clary |
Address | 415 Main Street, Cambridge, MA, 02142, USA |
clary@broadinstitute.org | |
Phone | 617-714-7654 |
Submit Date | 2023-10-02 |
Num Groups | 2 |
Total Subjects | 43 |
Num Males | 19 |
Num Females | 24 |
Raw Data Available | Yes |
Raw Data File Type(s) | raw(Thermo) |
Analysis Type Detail | LC-MS |
Release Date | 2023-10-16 |
Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
Analysis ID | AN004762 | AN004763 | AN004764 |
---|---|---|---|
Analysis type | MS | MS | MS |
Chromatography type | HILIC | HILIC | Reversed phase |
Chromatography system | Shimadzu Nexera X2 | Shimadzu Nexera X2 | Shimadzu Nexera X2 |
Column | Waters Atlantis HILIC (150 x 2.1mm,3um,100Å) | Phenomenex Luna NH2 (150 x 2 mm,5um,100Å) | Waters ACQUITY UPLC BEH C8 (2.1 mm X 100 mm,1.7 µm,130Å) |
MS Type | ESI | ESI | ESI |
MS instrument type | Orbitrap | Orbitrap | Orbitrap |
MS instrument name | Thermo Q Exactive Orbitrap | Thermo Q Exactive Plus Orbitrap | Thermo Exactive Plus Orbitrap |
Ion Mode | POSITIVE | NEGATIVE | POSITIVE |
Units | integrated peak area | integrated peak area | integrated peak area |
Chromatography:
Chromatography ID: | CH003594 |
Chromatography Summary: | HILIC-pos: Hydrophilic interaction liquid chromatography (HILIC) analysis of water soluble metabolites in the positive ionization mode |
Instrument Name: | Shimadzu Nexera X2 |
Column Name: | Waters Atlantis HILIC (150 x 2.1mm,3um,100Å) |
Column Temperature: | 30 |
Flow Gradient: | 0-0.5 min, isocratic 95% B; 0.5-10.5 min, gradient to 40% B; 10.5-15 min, isocratic 40% B; 15-17 min, gradient to 95% B |
Flow Rate: | 250 uL/min |
Solvent A: | 100% water; 0.1% formic acid; 10 mM ammonium formate |
Solvent B: | 100% acetonitrile; 0.1% formic acid |
Chromatography Type: | HILIC |
Chromatography ID: | CH003595 |
Chromatography Summary: | HILIC-neg: Hydrophilic interaction liquid chromatography (HILIC) analysis of water soluble metabolites in the negative ionization mode |
Instrument Name: | Shimadzu Nexera X2 |
Column Name: | Phenomenex Luna NH2 (150 x 2 mm,5um,100Å) |
Column Temperature: | 30 |
Flow Gradient: | 0-10 min, gradient from 90% B to 0% B; 10-12 min, isocratic 0% B; 12-14 min, gradient from 0% B to 90% B |
Flow Rate: | 400 uL/min |
Solvent A: | 100% water; 20 mM ammonium acetate; 20 mM ammonium hydroxide |
Solvent B: | 75% methanol/25% acetonitrile; 10 mM ammonium hydroxide |
Chromatography Type: | HILIC |
Chromatography ID: | CH003596 |
Chromatography Summary: | C8-pos: Reversed-phase C8 chromatography analysis of polar and nonpolar lipids in the positive ionization mode |
Instrument Name: | Shimadzu Nexera X2 |
Column Name: | Waters ACQUITY UPLC BEH C8 (2.1 mm X 100 mm,1.7 µm,130Å) |
Column Temperature: | 40 |
Flow Gradient: | 0-1 min, isocratic 20% B; 1-3 min, gradient to 80% B; 3-10 min, gradient to 100% B; 10-13 min, isocratic 100% B; 13-14 min, gradient to 20% B |
Flow Rate: | 450 uL/min |
Solvent A: | 95% water/5% methanol; 0.1% formic acid; 10 mM ammonium acetate |
Solvent B: | 100% methanol; 0.1% formic acid |
Chromatography Type: | Reversed phase |