Summary of Study ST003027
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 PR001876. The data can be accessed directly via it's Project DOI: 10.21228/M87426 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 | ST003027 |
| Study Title | NMR- and MS-based omics reveal characteristic metabolome atlas and optimize biofluid earlydiagnostic biomarkers for esophageal squamous cell carcinoma (part-Ⅳ) |
| Study Summary | Metabolic changes precede malignant histology. However, it remains unclear whether detectable characteristic metabolome exists in esophageal squamous cell carcinoma (ESCC) tissues and biofluids for early diagnosis. We conducted NMR- and MS-based metabolomics on 1,153 matched ESCC tissues, normal mucosae, pre- and one-week post-operative sera and urines from 560 participants across three hospitals, with machine learning, logistic regression and WGCNA. Aberrations in 'alanine, aspartate and glutamate metabolism' proved to be prevalent throughout the ESCC evolution, and were reflected in 16 serum and 10 urine metabolic signatures that were consistently identified by NMR and MS in both discovery and validation sets. NMR-based simplified panels of any five serum or urine metabolites outperformed clinical serological tumor markers (AUC = 0.984 and 0.930, respectively), and were effective in distinguishing early-stage ESCC in test set (serum accuracy = 0.994, urine accuracy = 0.879). Collectively, NMR-based biofluid screening can reveal characteristic metabolic events of ESCC and be feasible for early detection (ChiCTR2300073613). |
| Institute | Radiology Department, Second Affiliated Hospital, Shantou University Medical College |
| Last Name | Lin |
| First Name | Yan |
| Address | No. 69, Dongxia North Road, Shantou, Guangdong, China |
| 994809889@qq.com | |
| Phone | +86 18823992148 |
| Submit Date | 2023-12-16 |
| Raw Data Available | Yes |
| Raw Data File Type(s) | mzML |
| Analysis Type Detail | GC/LC-MS |
| Release Date | 2024-02-08 |
| Release Version | 1 |
Select appropriate tab below to view additional metadata details:
Combined analysis:
| Analysis ID | AN004962 | AN004963 |
|---|---|---|
| Analysis type | MS | MS |
| Chromatography type | Normal phase | Reversed phase |
| Chromatography system | Waters Acquity H-Class | Waters Acquity H-Class |
| Column | Waters ACQUITY UPLC BEH HILIC (150 x 2.1mm,1.7um) | Waters ACQUITY UPLC BEH HILIC (150 x 2.1mm,1.7um) |
| MS Type | EI | ESI |
| MS instrument type | Triple quadrupole | Triple quadrupole |
| MS instrument name | ABI Sciex 6500 QTrap | ABI Sciex 6500 QTrap |
| Ion Mode | POSITIVE | NEGATIVE |
| Units | m/z | m/z |
MS:
| MS ID: | MS004702 |
| Analysis ID: | AN004962 |
| Instrument Name: | ABI Sciex 6500 QTrap |
| Instrument Type: | Triple quadrupole |
| MS Type: | EI |
| MS Comments: | All the MS data acquisition and quantitative analysis of target compounds in this project were completed by SCIEX Analyst Work Station Software (1.7.2) and BIOTREE Bio Bud (2.1.4). The final concentration CF (Final Concentration, μmol/L) was directly measured by the instrument. The concentration CC (Calculated Concentration, μmol/L) multiplied by the dilute release factor page 6 / 11 Dil (Dilution Factor), in μmol/L. The target metabolite concentration CM (Metabolite Concentration, nmol/g) in the sample is equal to the final measured concentration CF times the final sample volume VF (Volume, μL) and the concentration factor CF of the sample during the pretreatment process, divided by the sample mass MS (Weight, mg), in nmol/g. NA indicated that no target metabolites were detected in the sample. |
| Ion Mode: | POSITIVE |
| MS ID: | MS004703 |
| Analysis ID: | AN004963 |
| Instrument Name: | ABI Sciex 6500 QTrap |
| Instrument Type: | Triple quadrupole |
| MS Type: | ESI |
| MS Comments: | All the MS data acquisition and quantitative analysis of target compounds in this project were completed by SCIEX Analyst Work Station Software (1.7.2) and BIOTREE Bio Bud (2.1.4). The final concentration CF (Final Concentration, μmol/L) was directly measured by the instrument. The concentration CC (Calculated Concentration, μmol/L) multiplied by the dilute release factor page 6 / 11 Dil (Dilution Factor), in μmol/L. The target metabolite concentration CM (Metabolite Concentration, nmol/g) in the sample is equal to the final measured concentration CF times the final sample volume VF (Volume, μL) and the concentration factor CF of the sample during the pretreatment process, divided by the sample mass MS (Weight, mg), in nmol/g. NA indicated that no target metabolites were detected in the sample. |
| Ion Mode: | NEGATIVE |
