After normalizing the original peak area information with the total peak area, the follow-up analysis was performed. Principal component analysis and Spearman correlation analysis were used to judge the repeatability of the samples within group and the quanlity control samples. The identified compounds are searched for classification and pathway information in KEGG, HMDB and lipidmaps databases.According to the grouping information, calculate and compare the difference multiples, T test was used to calculate the difference significance pvalue of each compound. The R language package ropls was used to perform OPLS-DA modeling, and 200 times permutation tests was performed to verify the reliability of the model. The VIP value of the model was calculated using multiple cross-validation. The method of combining the difference multiple, the P value and the VIP value of the OPLS-DA model was adopted to screen the differential metabolites. The screening criteria are FC>1, P value<0.05 and VIP>1. The difference metabolites of KEGG pathway enrichment significance were calculated using hypergeometric distribution test.
"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["The LC/MS system for metabolomics analysis is composed of Waters Acquity I-Class PLUS ultra-high performance liquid tandem Waters Xevo G2-XS QTof high resolution mass spectrometer. The column used is purchased from Waters Acquity UPLC HSS T3 column (1.8um 2.1*100mm)
Positive ion mode: mobile phase A: 0.1% formic acid aqueous solution; mobile phase B: 0.1% formic acid acetonitrile
Negative ion mode: mobile phase A: 0.1% formic acid aqueous solution; mobile phase B: 0.1% formic acid acetonitrile
Injection volume 2μL
"],"organism":["Eriocheir sinensis"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14331"],"data_transformation_protocol":["The raw data collected using MassLynx V4.2 is processed by Progenesis QI software for peak extraction, peak alignment and other data processing operations, based on the Progenesis QI software online METLIN database and Biomark’s self-built library for identification.
"],"study_factor":["Salinity stress"],"submitter_email":["public_jlcbe@163.com"],"sample_collection_protocol":["Please update this protocol descriptionWe treated anadromous juvenile crabs (S1) and resident crabs (S2) of the Chinese mitten crab with seawater of different salinities (0 ppt, 15 ppt, 30 ppt). Gills were collected for metabolomic analysis 96 hours after exposure.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"omics_type":["Metabolomics"],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"study_design":["Metabolomics","gill","Waters ACQUITY UPLC I-Class PLUS System","Waters Xevo G2-XS QTof","untargeted analysis","MassLynx","Eriocheir sinensis","OpenMS","Waters (China)","experimental sample"],"chromatography_protocol":["Waters Xevo G2-XS QTOF high resolution mass spectrometer can collect primary and secondary mass spectrometry data in MSe mode under the control of the acquisition software (MassLynx V4.2, Waters). In each data acquisition cycle, dual-channel data acquisition can be performed on both low collision energy and high collision energy at the same time. The low collision energy is off, the high collision energy range is 10~40V, and the scanning frequency is 0.2 seconds for a mass spectrum. The parameters of the ESI ion source are as follows: Capillary voltage: 2500V (positive ion mode) or -2000V (negative ion mode); cone voltage: 30V; ion source temperature: 100°C; desolvent gas temperature 500°C; backflush gas flow rate: 50L/ h; Desolventizing gas flow rate: 800L/h.
"],"publication":["Untargeted metabolomics of the Chinese mitten crab under high-salinity stress."],"curator_keywords":["Metabolomics","gill","Waters ACQUITY UPLC I-Class PLUS System","Waters Xevo G2-XS QTof","untargeted analysis","MassLynx","Eriocheir sinensis","OpenMS","Waters (China)","experimental sample"],"submitter_affiliation":["Yancheng Teachers University"],"submitter_name":["Aobo Pang"],"mass_spectrometry_protocol":["Waters Xevo G2-XS QTOF high resolution mass spectrometer can collect primary and secondary mass spectrometry data in MSe mode under the control of the acquisition software (MassLynx V4.2, Waters). In each data acquisition cycle, dual-channel data acquisition can be performed on both low collision energy and high collision energy at the same time. The low collision energy is off, the high collision energy range is 10~40V, and the scanning frequency is 0.2 seconds for a mass spectrum. The parameters of the ESI ion source are as follows: Capillary voltage: 2500V (positive ion mode) or -2000V (negative ion mode); cone voltage: 30V; ion source temperature: 100°C; desolvent gas temperature 500°C; backflush gas flow rate: 50L/ h; Desolventizing gas flow rate: 800L/h.
"],"additional_accession":[]},"is_claimable":false,"name":"Untargeted metabolomics of the Chinese mitten crab under high-salinity stress","description":"We treated anadromous juvenile crabs (S1) and resident crabs (S2) of the Chinese mitten crab with seawater of different salinities (0 ppt, 15 ppt, 30 ppt). Gills were collected for metabolomic analysis 96 hours after exposure.","dates":{"publication":"2026-04-21","submission":"2026-04-21"},"accession":"MTBLS14331","cross_references":{}}