Summary of Study ST001937

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 PR001226. The data can be accessed directly via it's Project DOI: 10.21228/M87H88 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 IDST001937
Study TitleComprehensive plasma metabolomics and lipidomics based management of benign and malignant solitary pulmonary nodules
Study SummaryThis study found evidence of early metabolic alterations that can distinguish SPNs from healthy controls, but not for benign and malignant SPNs (lung cancer in stage I), highlighting that malignant SPNs less than 3 cm in diameter are most likely lung cancer at some early stage that does not affect blood circulation. Benign SPNs seldom require excessive treatment, and the strategy to detecting and managing malignant SPNs is to perform periodic radiographic examinations and, if operable, bring patients to surgery as quickly as feasible to prevent cancer cells from entering the circulation.
China Pharmaceutical University
Last NameZhou
First NameWei
AddressNO.639 Longmian avenue, Jiangning District, Nanjing city, Jiangsu Province, China
Submit Date2021-09-11
Raw Data AvailableYes
Raw Data File Type(s)raw(Thermo)
Analysis Type DetailGC-MS/LC-MS
Release Date2023-09-11
Release Version1
Wei Zhou Wei Zhou application/zip

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Combined analysis:

Analysis ID AN003150
Analysis type MS
Chromatography type Unspecified
Chromatography system Thermo Trace 1310/Dionex UltiMate 3000 UHPLC
Column TG-5MS
MS instrument type Triple quadrupole/Orbitrap
MS instrument name Thermo TSQ 8000/Thermo Q Exactive Orbitrap
Units peak height


MS ID:MS002930
Analysis ID:AN003150
Instrument Name:Thermo TSQ 8000/Thermo Q Exactive Orbitrap
Instrument Type:Triple quadrupole/Orbitrap
MS Comments:The raw data files from LC-MS were converted into Analysis Base File (ABF) format by Abf Converter ( Then, using the open-source program MS-Dial v.4.24 15, the automatic peak selecting, integration, retention time adjustment by the aforementioned database, and alignment were performed. The retention time index (RI) tolerance in GC-MS was 3,000, while the peak height threshold was 10,000. In LC-MS, the peak height threshold was 1,000,000 in positive ion mode and 500,000 in negative ion mode. The resultant output data table of high quality time-aligned investigated metabolites, together with their related RT, m/z, and peak height acquired for each sample, was statistically analyzed. All metabolite identifications were manually double-checked.