Summary of Study ST004241

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 PR002674. The data can be accessed directly via it's Project DOI: 10.21228/M80Z6T This work is supported by NIH grant, U2C- DK119886. See: https://www.metabolomicsworkbench.org/about/howtocite.php

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Study IDST004241
Study TitleGlobal metabolomics and lipidomics identified steroid, sphingolipid, and microbiome-associated pathways linked to asthma exacerbation
Study SummaryThis study aimed to identify candidate biomarkers of asthma exacerbation using global metabolomics and lipidomics. We selected 570 asthmatic cases and 570 matched controls from the Mass General Brigham Biobank to form the Mass General Brigham–Karolinska Asthma Study (MGBB KAS) cohort. All samples were profiled by metabolomics (HILIC positive) and lipidomics (positive and negative ion modes). After multiple testing correction (FDR ≤ 0.05), 154 metabolites were significantly associated with asthma. Notable associations involved sphingolipids, steroids, aminosugar metabolites, and microbiome linked pathways—especially tryptophan metabolism.
Institute
China Pharmaceutical University
Last NamePei
First NameZhang
Address#24 Tongjia Rd. Gulou District, Nanjing, China
Emailpeizhang@cpu.edu.cn
Phone+8302583271021
Submit Date2025-04-20
Raw Data AvailableYes
Raw Data File Type(s)mzML
Analysis Type DetailLC-MS
Release Date2025-10-20
Release Version1
Zhang Pei Zhang Pei
https://dx.doi.org/10.21228/M80Z6T
ftp://www.metabolomicsworkbench.org/Studies/ application/zip

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Project:

Project ID:PR002674
Project DOI:doi: 10.21228/M80Z6T
Project Title:The ratio of circulatory levels of sphingolipids to steroids predicts asthma exacerbations
Project Summary:This project aims to develop and validate a blood-based biomarker model to identify individuals at elevated risk of asthma exacerbations. Global metabolomics highlighted steroid, sphingolipid, and microbiome-linked metabolic pathways as associated with asthma status and exacerbation risk. Targeted quantification showed that sphingolipid-to-steroid ratios were strongly and consistently associated with 5‑year risk of exacerbation. Derived a simple predictive model based on 21 sphingolipid-to-steroid ratios that replicated across cohorts and outperformed current clinical measures (discovery AUC = 0.90; replication AUC = 0.89). These findings underscore the value of metabolomic profiling to develop a practical, cost-effective clinical assay for asthma exacerbation risk that may improve patient care.
Institute:China Pharmaceutical University
Last Name:Pei
First Name:Zhang
Address:#24 Tongjia Rd. Gulou District, Nanjing, China
Email:peizhang@cpu.edu.cn
Phone:+8602583271021

Subject:

Subject ID:SU004393
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606

Factors:

Subject type: Human; Subject species: Homo sapiens (Factor headings shown in green)

mb_sample_id local_sample_id Sample source Group
SA486678LP_SAM03101Serum Asthma
SA486679LP_SAM03113Serum Asthma
SA486680LP_SAM03120Serum Asthma
SA486681LP_SAM03452Serum Asthma
SA486682LP_SAM03447Serum Asthma
SA486683LP_SAM03125Serum Asthma
SA486684LP_SAM03365Serum Asthma
SA486685LP_SAM03388Serum Asthma
SA486686LP_SAM03353Serum Asthma
SA486687LP_SAM03457Serum Asthma
SA486688LP_SAM03346Serum Asthma
SA486689LP_SAM03426Serum Asthma
SA486690LP_SAM03264Serum Asthma
SA486691LP_SAM03226Serum Asthma
SA486692LP_SAM02960Serum Asthma
SA486693LP_SAM03398Serum Asthma
SA486694LP_SAM03400Serum Asthma
SA486695LP_SAM03470Serum Asthma
SA486696LP_SAM03323Serum Asthma
SA486697LP_SAM03474Serum Asthma
SA486698LP_SAM03085Serum Asthma
SA486699LP_SAM03471Serum Asthma
SA486700LP_SAM03199Serum Asthma
SA486701LP_SAM02950Serum Asthma
SA486702LP_SAM03252Serum Asthma
SA486703LP_SAM03462Serum Asthma
SA486704LP_SAM03073Serum Asthma
SA486705LP_SAM03379Serum Asthma
SA486706LP_SAM02969Serum Asthma
SA486707LP_SAM02967Serum Asthma
SA486708LP_SAM03222Serum Asthma
SA486709LP_SAM03236Serum Asthma
SA486710LP_SAM03409Serum Asthma
SA486711LP_SAM03324Serum Asthma
SA486712LP_SAM03410Serum Asthma
SA486713LP_SAM02966Serum Asthma
SA486714LP_SAM03046Serum Asthma
SA486715LP_SAM03115Serum Asthma
SA486716LP_SAM03081Serum Asthma
SA486717LP_SAM03340Serum Asthma
SA486718LP_SAM03438Serum Asthma
SA486719LP_SAM03302Serum Asthma
SA486720LP_SAM03223Serum Asthma
SA486721LP_SAM03317Serum Asthma
SA486722LP_SAM03280Serum Asthma
SA486723LP_SAM03375Serum Asthma
SA486724LP_SAM03124Serum Asthma
SA486725LP_SAM03144Serum Asthma
SA486726LP_SAM03245Serum Asthma
SA486727LP_SAM03502Serum Asthma
SA486728LP_SAM02983Serum Asthma
SA486729LP_SAM03091Serum Asthma
SA486730LP_SAM03337Serum Asthma
SA486731LP_SAM02973Serum Asthma
SA486732LP_SAM03487Serum Asthma
SA486733LP_SAM03387Serum Asthma
SA486734LP_SAM03010Serum Asthma
SA486735LP_SAM03173Serum Asthma
SA486736LP_SAM03286Serum Asthma
SA486737LP_SAM03465Serum Asthma
SA486738LP_SAM03224Serum Asthma
SA486739LP_SAM03161Serum Asthma
SA486740LP_SAM03444Serum Asthma
SA486741LP_SAM03275Serum Asthma
SA486742LP_SAM03354Serum Asthma
SA486743LP_SAM03139Serum Asthma
SA486744LP_SAM03110Serum Asthma
SA486745LP_SAM03137Serum Asthma
SA486746LP_SAM03449Serum Asthma
SA486747LP_SAM03194Serum Asthma
SA486748LP_SAM03382Serum Asthma
SA486749LP_SAM03469Serum Asthma
SA486750LP_SAM03105Serum Asthma
SA486751LP_SAM02951Serum Asthma
SA486752LP_SAM02945Serum Asthma
SA486753LP_SAM02946Serum Asthma
SA486754LP_SAM03348Serum Asthma
SA486755LP_SAM03384Serum Asthma
SA486756LP_SAM02943Serum Asthma
SA486757LP_SAM03511Serum Asthma
SA486758LP_SAM03136Serum Asthma
SA486759LP_SAM03080Serum Asthma
SA486760LP_SAM02982Serum Asthma
SA486761LP_SAM03287Serum Asthma
SA486762LP_SAM03038Serum Asthma
SA486763LP_SAM03395Serum Asthma
SA486764LP_SAM03361Serum Asthma
SA486765LP_SAM03138Serum Asthma
SA486766LP_SAM02986Serum Asthma
SA486767LP_SAM03266Serum Asthma
SA486768LP_SAM03347Serum Asthma
SA486769LP_SAM03481Serum Asthma
SA486770LP_SAM02984Serum Asthma
SA486771LP_SAM03111Serum Asthma
SA486772LP_SAM03333Serum Asthma
SA486773LP_SAM03397Serum Asthma
SA486774LP_SAM03123Serum Asthma
SA486775LP_SAM03296Serum Asthma
SA486776LP_SAM03133Serum Asthma
SA486777LP_SAM03219Serum Asthma
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Collection:

Collection ID:CO004386
Collection Summary:Venipuncture was performed into serum separator tubes using standard phlebotomy technique. Tubes clotted upright at room temperature for 30–60 minutes, then were centrifuged at 1,500 × g for 10 minutes room temperature to separate serum. Serum aliquots were snap frozen on dry ice and transferred to −80°C storage within 2 hours of collection. Samples shipped between sites on dry ice with continuous temperature monitoring.
Sample Type:Blood (serum)
Storage Conditions:-80℃

Treatment:

Treatment ID:TR004402
Treatment Summary:NA

Sample Preparation:

Sampleprep ID:SP004399
Sampleprep Summary:The protocols provide this information. In general, methanol was used to extract metabolites, and methyl tert-butyl ether-water was used as an extracting solvent for lipids.

Combined analysis:

Analysis ID AN007058 AN007059 AN007060
Chromatography ID CH005360 CH005361 CH005361
MS ID MS006755 MS006756 MS006757
Analysis type MS MS MS
Chromatography type HILIC Reversed phase Reversed phase
Chromatography system Agilent 1290 Infinity II Agilent 1290 Infinity II Agilent 1290 Infinity II
Column Merck SeQuant ZIC-HILIC (100 x 2.1mm,3.5um) Agilent ZORBAX Eclipse Plus C18 (100 x 2.1mm,1.8um) Agilent ZORBAX Eclipse Plus C18 (100 x 2.1mm,1.8um)
MS Type ESI ESI ESI
MS instrument type QTOF QTOF QTOF
MS instrument name Agilent 6550 QTOF Agilent 6550 QTOF Agilent 6550 QTOF
Ion Mode POSITIVE NEGATIVE POSITIVE
Units Peak area Peak area Peak area

Chromatography:

Chromatography ID:CH005360
Methods Filename:Metabolomics_HILIC_POS_Chromatography.pdf
Instrument Name:Agilent 1290 Infinity II
Column Name:Merck SeQuant ZIC-HILIC (100 x 2.1mm,3.5um)
Column Temperature:25
Flow Gradient:0-1.5 min, 95% B, 1.5-12min, 95% to 40% B, 12-14min, 40% B, 14-14.2min, 40% to 25% B, 14.2-17min, 25% B, 17-18min 25%-95% B, 18-25min 95% B.
Flow Rate:0.3 mL/min
Solvent A:100% Water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Chromatography Type:HILIC
  
Chromatography ID:CH005361
Methods Filename:Lipidomics_positive_negative_modes_Chromatography.pdf
Instrument Name:Agilent 1290 Infinity II
Column Name:Agilent ZORBAX Eclipse Plus C18 (100 x 2.1mm,1.8um)
Column Temperature:50
Flow Gradient:0-3min, 20% to 60% B, 3-10min, 60% to 85% B, 10-15min, 85% B, 15-15.1min, 85% to 97% B, 15.1-17.1min, 97% B, 17.1min 97% to 20% B, 17.1-19min, 97% B
Flow Rate:0.4 mL/min
Solvent A:60% acetonitrile/40% water; 10 mM ammonium formate
Solvent B:90% isopropanol/10% acetonitrile; 10 mM ammonium formate
Chromatography Type:Reversed phase

MS:

MS ID:MS006755
Analysis ID:AN007058
Instrument Name:Agilent 6550 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The Agilent 6550 Q-TOF-MS system was calibrated and tuned following the manufacturer's recommended protocols. High-purity nitrogen (>99.999%) was used as both the sheath gas and drying gas, with flow rates of 8 L/min and 15 L/min, respectively. The drying and sheath gas temperatures were set at 250 °C, and the nebulizer pressure was maintained at 35 psig. Positive ionization mode was employed with a voltage of +3000 V. The fragmentor voltage was set to 180 V. Data acquisition covered a mass range of 40–1200 m/z in the positive all ion fragmentation mode, including 3 sequential experiments at alternating collision energies: one full scan at 0 eV, followed by one MS/MS scan at 10 eV, and then one MS/MS scan at 30 eV. Mzmine was used for feature assignments.
Ion Mode:POSITIVE
Analysis Protocol File:Metabolomics_HILIC_positive_mode_MS.pdf
  
MS ID:MS006756
Analysis ID:AN007059
Instrument Name:Agilent 6550 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The Agilent 6550 Q-TOF-MS system was calibrated and tuned according to the manufacturer’s recommended protocols. Nitrogen (>99.999% purity) was used as both the sheath gas and drying gas, with flow rates of 12 L/min and 15 L/min, respectively. Gas temperatures were set at 250 °C, and the nebulizer pressure was maintained at 40 psig. The instrument voltage was +3000 V in positive mode or -3000 V in negative mode, with the fragmentor voltage fixed at 360 V. Data-dependent acquisition (DDA) mode was used, covering a mass range of 40 to 1200 m/z. Collision energies were set at 20 V for positive mode and 25 V for negative mode. Mzmine was used for feature assignments.
Ion Mode:NEGATIVE
Analysis Protocol File:Lipidomics_negative_mode_MS.pdf
  
MS ID:MS006757
Analysis ID:AN007060
Instrument Name:Agilent 6550 QTOF
Instrument Type:QTOF
MS Type:ESI
MS Comments:The Agilent 6550 Q-TOF-MS system was calibrated and tuned according to the manufacturer’s recommended protocols. Nitrogen (>99.999% purity) was used as both the sheath gas and drying gas, with flow rates of 12 L/min and 15 L/min, respectively. Gas temperatures were set at 250 °C, and the nebulizer pressure was maintained at 40 psig. The instrument voltage was +3000 V in positive mode or -3000 V in negative mode, with the fragmentor voltage fixed at 360 V. Data-dependent acquisition (DDA) mode was used, covering a mass range of 40 to 1200 m/z. Collision energies were set at 20 V for positive mode and 25 V for negative mode. Mzmine was used for feature assignments.
Ion Mode:POSITIVE
Analysis Protocol File:Lipidomics_positive_mode_MS.pdf
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