Summary of Study ST002100

This data is available at the NIH Common Fund's National Metabolomics Data Repository (NMDR) website, the Metabolomics Workbench,, where it has been assigned Project ID PR001330. The data can be accessed directly via it's Project DOI: 10.21228/M8ST3F This work is supported by NIH grant, U2C- DK119886.


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 IDST002100
Study TitleFunctional metabolomics-based molecular profiling of acute and chronic hepatitis (Human Serum Metabolomics)
Study SummaryNon-alcoholic steatohepatitis (NASH) is a metabolic dysregulation triggered by an overload disrupting the hepatic tolerance to external molecules. With the complexity and diversity of hepatitis triggers, no effective clinical classification and treatment are available, and even using the same strategies or approaches for acute and chronic hepatitis. For us, it is really difficult to precisely diagnose and treat hepatitis accordingly. To overcome this challenge, we integrated metabolomic, lipidomics, transcriptomics and other life science frontier technologies for functional metabolomics studies, and pioneered the redefinition of hepatitis at the molecular level. Our findings suggested that acute hepatitis mainly interferes with purine metabolism and amino acids metabolism, while chronic hepatitis mainly causes disruption of hepatic bile acids and lipidome, especially glycerolipids. Based on the liver-gut axis, we also found that the metabolic regulation of the gut microbiota is another key factor for chronic hepatitis development. In conclusion, functional metabolomics enables the cognition of disease occurrence, development and regression from small molecule metabolic modifications and modulations, realizing the ultimate goal of treating diseases and improving population health through regulation of dysregulated metabolism
Shanghai Center for Systems Biomedicine, Shanghai Jiaotong University
DepartmentShanghai Center for Systems Biomedicine
LaboratoryLu Group
Last NameLu
First NameHaitao
Address800 Dongchuan RD. Minhang District, Shanghai, Shanghai, 200240, China
Submit Date2022-03-10
Raw Data AvailableYes
Raw Data File Type(s)d
Analysis Type DetailLC-MS
Release Date2022-03-25
Release Version1
Haitao Lu Haitao Lu application/zip

Select appropriate tab below to view additional metadata details:


Project ID:PR001330
Project DOI:doi: 10.21228/M8ST3F
Project Title:Functional metabolomics-based molecular profiling of acute and chronic hepatitis
Project Type:Targeted MS quantitative analysis
Project Summary:Characteristics of liver metabolomics in acute and chronic hepatitis
Institute:Shanghai Center for Systems Biomedicine, Shanghai Jiaotong University
Department:Shanghai Center for Systems Biomedicine
Laboratory:Lu Group
Last Name:Lu
First Name:Haitao
Address:800 Dongchuan RD. Minhang District, Shanghai, Shanghai, 200240, China


Subject ID:SU002185
Subject Type:Human
Subject Species:Homo sapiens
Taxonomy ID:9606


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

mb_sample_id local_sample_id Treatment
SA20132420220124-HS-87Acute hepatitis
SA20132520220124-HS-90Acute hepatitis
SA20132620220124-HS-95Acute hepatitis
SA20132720220124-HS-75Acute hepatitis
SA20132820220124-HS-52Acute hepatitis
SA20132920220124-HS-44Acute hepatitis
SA20133020220124-HS-45Acute hepatitis
SA20133120220124-HS-105Acute hepatitis
SA20133220220124-HS-176Acute hepatitis
SA20133320220124-HS-239Acute hepatitis
SA20133420220124-HS-253Acute hepatitis
SA20133520220124-HS-272Acute hepatitis
SA20133620220124-HS-188Acute hepatitis
SA20133720220124-HS-187Acute hepatitis
SA20133820220124-HS-34Acute hepatitis
SA20133920220124-HS-180Acute hepatitis
SA20134020220124-HS-164Acute hepatitis
SA20134120220124-HS-157Acute hepatitis
SA20134220220124-HS-5Acute hepatitis
SA20134320220124-HS-6Acute hepatitis
SA20134420220124-HS-18Chronic hepratitis
SA20134520220124-HS-19Chronic hepratitis
SA20134620220124-HS-21Chronic hepratitis
SA20134720220124-HS-17Chronic hepratitis
SA20134820220124-HS-15Chronic hepratitis
SA20134920220124-HS-11Chronic hepratitis
SA20135020220124-HS-22Chronic hepratitis
SA20135120220124-HS-16Chronic hepratitis
SA20135220220124-HS-26Chronic hepratitis
SA20135320220124-HS-46Chronic hepratitis
SA20135420220124-HS-56Chronic hepratitis
SA20135520220124-HS-66Chronic hepratitis
SA20135620220124-HS-41Chronic hepratitis
SA20135720220124-HS-36Chronic hepratitis
SA20135820220124-HS-9Chronic hepratitis
SA20135920220124-HS-29Chronic hepratitis
SA20136020220124-HS-30Chronic hepratitis
SA20136120220124-HS-23Chronic hepratitis
SA20136220220124-HS-7Chronic hepratitis
SA20136320220124-HS-1Chronic hepratitis
Showing results 1 to 57 of 57


Collection ID:CO002178
Collection Summary:All peripheral venous blood was collected in tube with EDTA-anticoagulant. After centrifugation the serum samples were collected and stored at -80°C before use.
Sample Type:Serum


Treatment ID:TR002197
Treatment Summary:Three groups of serum samples were collected from Eastern Hepatobiliary Surgery Hospital including 17 healthy controls, 20 with acute hepatitis and 20 with chronic hepatitis (HBV). They were all enrolled in this study with the patients' consent and the sampling process was strictly consistent with the ethics committee of the Eastern Hepatobiliary Surgical Hospital.

Sample Preparation:

Sampleprep ID:SP002191
Sampleprep Summary:Serum samples were mixed with 4 volumes of acetonitrile, which contains 0.001 mg/mL internal standard 4-chloro-DL-phenylalanine, to precipitate the proteins. After brief vortex mixing, the samples were incubated on ice for 15 min. The supernatants were collected after centrifuged at 20,000 g, 4 °C for 10 min, transferred to vials for LC-MS analysis.

Combined analysis:

Analysis ID AN003432 AN003433
Analysis type MS MS
Chromatography type Reversed phase Reversed phase
Chromatography system Agilent 1290 Infinity Agilent 1290 Infinity
Column Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
MS instrument type Triple quadrupole Triple quadrupole
MS instrument name Agilent 6495 QQQ Agilent 6495 QQQ
Units counts counts


Chromatography ID:CH002537
Chromatography Summary:In this study, a newly developed precision-targeted metabolomics method with a UPLC-TQ/MS system (Agilent 1290 Infnity, Agilent Technologies, USA; Agilent 6495 QQQ, Agilent Technologies, USA) in a DMRM scan-mode was applied to analyze the metabolome of interest from trial samples (serum, liver tissues and stool). Briefly, the method was performed with an ACQUITY UPLC HSS T3 column (2.1 mm i.d. × 100 mm, 1.8 μm; Waters); mobile phase A and B were water and acetonitrile with 0.1% formic acid (v/v) respectively. The flow rate was at 0.3 mL/min and the column temperature was maintained at 40 ℃. The samples were placed in an auto-sampler maintained at 4 °C with a 5 μL injection volume. The optimized gradient-elution program, as follows: 0-2 min, 98% A; 2-10 min, 98-65% A; 10-12 min, 65-20% A; 12-14 min, 20-2% A; 14-30 min, 2% A.
Instrument Name:Agilent 1290 Infinity
Column Name:Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um)
Column Temperature:40
Flow Gradient:0-2 min, 98% A; 2-10 min, 98-65% A; 10-12 min, 65-20% A; 12-14 min, 20-2% A; 14-30 min, 2% A
Flow Rate:0.3 mL/min
Solvent A:100% water; 0.1% formic acid
Solvent B:100% acetonitrile; 0.1% formic acid
Chromatography Type:Reversed phase


MS ID:MS003195
Analysis ID:AN003432
Instrument Name:Agilent 6495 QQQ
Instrument Type:Triple quadrupole
MS Comments:Agilent MassHunter Workstation Data Acquisition Agilent MassHunter
MS ID:MS003196
Analysis ID:AN003433
Instrument Name:Agilent 6495 QQQ
Instrument Type:Triple quadrupole
MS Comments:Agilent MassHunter Workstation Data Acquisition Agilent MassHunter