The identification of metabolites was based on mzCloud, LIPID MAPS, HMDB, MoNA, and self-built databases (Personalbio Co., Ltd., Shanghai, China). The VIP value of metabolites was calculated through multiple cross-validation, and the differential multiples (> 1), P value (< 0.05), and VIP (> 1) of the OPLS-DA model were used to screen differentially expressed metabolites (DEMs).
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["The separation of the chemical compounds was performed on an ACQUITY UPLC HSS T3 column (100 × 2.1 mm, 1.8 μm, Waters, Milford, MA, USA) at a flow rate of 0.4 mL/min. The column was set at 40°C, and the injection volume was 2 μL. The eluents for the positive and negative polarity mode were 0.1% formic acid in water (v/v, A2) and 0.1% formic acid in acetonitrile (v/v, B2). Separation was conducted under the following gradient: 0-1 min, 5% B2; 1-7 min, 5% B2; 7-8 min, 95% B2; 8-8.1 min, 5% B2; 8.1 min, 5% B2; and 12 min, 5% B2.
"],"publication":["VdGGCT, a GGCT_like super family protein, is required for fungal growth, conidiation and pathogenicity of Verticillium dahliae."],"submitter_name":["Huimin Li"],"submitter_affiliation":["Plant Protection Institute, Hebei Academy of Agriculture and Forestry Sciences"],"organism_part":["mycelium"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["50 mg of samples from Vd991 and the VdGGCT knockout mutant were mixed with 1 mL of pre-cooled 50% methanol in a 2 mL centrifuge tube, add 2 glass beads, and then vortexed for 30 s. Three cycles of treatment were performed: freezing in liquid nitrogen for 5 min, followed by thawing at room temperature and grinding at 55 Hz for 60 s. The mixture was then centrifuged at 12,000 rpm and 4°C for 15 min. Subsequently, 800 μL of the supernatant to dryness under vacuum, and reconstitute with 150 μL of 50% methanol containing 5 ppm 2-chlorophenylalanine by vortexing for 30 s. The mixture was centrifuged at 12000 rpm for 10 min at 4°C. Finally, the supernatant flowed through a 0.22 μm membrane filter and was transferred into the detection bottle for LC-MS detection. The quality control (QC) sample was prepared by mixing equal volumes of the extracts from all samples.
"],"organism":["Verticillium dahliae"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14397"],"author":["Huimin Li. Plant Protection Institute, Hebei Academy of Agriculture and Forestry Sciences. 804149936@qq.com."],"data_transformation_protocol":["The raw data collected by mass spectrometry was processed by Compound Discoverer 3.0 software (Thermo Fisher Scientific Inc.) for peak extraction, alignment, correction, normalization, and other data preprocessing. Output of a 3D data matrix consisting of sample names, peak information (including retention times and molecular weights), and peak areas was generated.
"],"study_factor":["Genotype"],"submitter_email":["804149936@qq.com"],"sample_collection_protocol":["For conidial production and collection, Vd991 and VdGGCT knockout mutant strains grown on PDA for 5 d was used to obtain three mycelial plugs by punching at evenly spaced positions near the colony edge with a 5 mm sterile puncher. The plugs were placed into a 250 mL conical flask containing 100 mL of potato dextrose broth (PDB) medium, and incubated at 25°C with shaking at 180 rpm for 7 d. Conidia of Vd991 and VdGGCT knockout mutant strains were collected by filtration and centrifugation, then resuspended in sterile water to a final concentration. The above spore suspension was inoculated into liquid potato dextrose broth (PDB) medium at a 1% (v/v) inoculum ratio, then incubated in a constant-temperature shaking incubator at 25 °C in the dark, with shaking at 180 rpm for 20 h. The young mycelia were then harvested.
"],"omics_type":["Metabolomics"],"study_design":["mycelium","fungal metabolite","Metabolomics","LC-MS data","Verticillium dahliae","quality control","untargeted analysis","Thermo Scientific Orbitrap Exploris 120","Waters ACQUITY UPLC system","Waters ACQUITY UPC2 System","experimental sample","untargeted metabolite profiling"],"curator_keywords":["fungal metabolite","mycelium","Metabolomics","LC-MS data","Verticillium dahliae","quality control","untargeted analysis","Thermo Scientific Orbitrap Exploris 120","Waters ACQUITY UPLC system","Waters ACQUITY UPC2 System","experimental sample","untargeted metabolite profiling"],"mass_spectrometry_protocol":["Thermo Orbitrap Exploris 120 mass spectrometer was used to collect DDA mass spectrometric data in positive and negative ion modes under the control of Xcalibur software (version: 4.7, Thermo).The parameters were as follows: sheath gas pressure, 40 arb; aux gas flow, 15 arb; spray voltage, 3.5 kV and -3.0 kV; capillary temperature, 325℃; MS1 range, m/z 100-1000; MS1 resolving power, 60,000 FWHM; number of data dependent scans per cycle, 4; MS/MS resolving power, 15,000 FWHM; normalized collision energy, 30%; and dynamic exclusion time, 8 s.
All formal samples and QC sample were loaded into the equipment according to the above-mentioned chromatography and mass spectrometry methods. Before the formal injection, QC sample were injected 2-4 times to balance the system. During the injection process, one QC sample was injected for every 5-10 samples for subsequent data evaluation and quality control.
"],"metabolite_name":["2-(Acetylamino)hexanoic acid","1,2-Dimethoxybenzene","3,3-Dimethylglutaric acid","5-Methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid","2-Aminonicotinic acid","Formylanthranilic acid","N-Acetyldopamine","2,3-Dihydroxybutanoic acid","Valylglycine","Phloroacetophenone","Trifluoroacetic acid","Guaicyl acetate","D-Alanyl-D-alanine","3-Butene-1,2-diol","(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne","4-Aminophenol","3-Hydroxypyridine","4-Hydroxyhippuric acid","Alanylglycine","1-Methylxanthine","Hydroxypyruvic acid","thioacrolein","N-Ethylglycine","N-Acetylaspartic acid","Acexamic acid","L-2,4-Diaminobutyric acid","Angelic acid","Adipoyl-L-carnitine","Saran","cis,cis-Muconic acid","2-HYDROXYBUTYRIC ACID","Glycolic acid","dihydroxy acetone","(5E)-4-[(E)-3-(4-Hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-2-methyl-5-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethylidene]cyclopentene-1-carboxylic acid","O-Phenolsulfonic acid","4-CARBOXYCINNAMIC ACID","Aminooxyacetic acid Hemihydrochloride","N-Acetylglutamic acid","Polyvidone","(E)-3-(indol-3-yl)acrylic acid","4-Hydroxycrotonic acid","(4-Bromo-2-formylphenoxy)acetic acid","N-Heptanoylglycine","(1R,4R,5S,6R)-4-Amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid","4-Acetamidobenzoic acid","isocitric acid","3-Chlorophenylhydrazone","D-Threo-3-Pentulose","4-Pyridoxic acid","4-Hydroxynicotinic acid","2,4-Dimethyl-1,3-oxazole-5-carboxylic acid","3,4-Dihydroxybenzenesulfonic acid","2'-Hydroxyacetophenone","Polymaleic acid, sodium salt","Isopropyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate","Methyleutypinol","3-Hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one","MANNOSE","Glyceric acid","hept-2-enedioic acid","Phthalic acid","1,1,1-Trichloroheptane","2-Aminoisobutyric acid","Dimethylmalonic acid","2-Furanbutanoic acid, a,g-dioxo-","alpha-Hydroxyisobutyric acid","L-Malic acid","4-Hydroxyquinoline","Oxalic acid","4,5-Dihydroxyphthalic acid","4-Amino-2-methylenebutanoic acid","2-(5-Hydroxy-1H-indol-2-yl)acetic acid","2-Chloro-L-phenylalanine-IS","(1r,3r)-1-Aminocyclopentane-1,3-dicarboxylic acid","Malonic acid","oxaloacetic acid 4-methyl ester","2-Methylpropyl formate","2-Methyltetrahydrofuran","Tetrahydrofuranylmethyl","3-Methylpyrrole-2,4-dicarboxylic acid","3-Hydroxymethylglutaric acid","3,4-Dimethoxyphenol","Dimethicone","1-(4-hydroxyphenyl)ethanol","4-Isopropylbenzoic acid","4-Oxo-2-azetidinecarboxylic acid","Boc-L-Orn-OH","L-allo-Threonine","Diethyl phosphate","#NAME?","beta-tyvelose","Uric Acid","N-Lactoylvaline","Purine","2-Octenedioic acid","Methyl 3-methylresorcylate","5-Amino-1-(2-fluorophenyl)-1H-pyrazole-4-carboxylic acid","Oxepin","Methylimidazoleacetic acid","3-hydroxy-3-methyloxindole","4R-aminopentanoic acid","EMPSH","4-(3-Pyridyl)-3-butenoic acid","Eglumetad","3,5-Dihydroxybenzoic acid","(2,5-Dioxotetrahydro-3-furanyl)acetic acid","2,4,6-Trimethyl-1,3,5-trithiane","Phosphoric acid","1H-Pyrrole-2-carboxaldehyde",".beta.-D-Glucopyranose","O-glutaroyl-L-carnitine","(S)-2-Azetidinecarboxylic acid","2-Ketobutyric acid","L-(-)-Arabitol","Ketone Ester","Acesulfame","3-isopropylmalic acid","4-(Butoxymethyl)phenol","LATIFOLICININ C ACID","4-propionyl butyric acid","Chlorocarbonic acid","N-(1H-Indol-3-ylacetyl)methionine","Succinic anhydride","Suberic acid","2-Methylbutyrylglycine","L-Threonic acid","Acetylenedicarboxylic acid","3-Aminocaproic acid","(-)-3-dehydroshikimic acid","(S)-2-Amino-4-methylsulfanyl-butane-1-thiol","Aceric acid (3-C-carboxy-5-deoxy-l-xylose) (rare sugar in rhamnogalacturonan II)","2,6-Dihydroxybenzoic acid","m-Cresol","L-(+)-Leucic Acid","Salicylic acid","3,4-Methylenedioxybenzaldehyde","Hydroxymethyl hydrogen carbonate","3-Acetyl-2,5-dimethylfuran","Ethyl formate","N-Acetylisoleucine","ethyl 2,4-dihydroxyquinoline-3-carboxylate","3-Methyl-2-oxovaleric acid","alpha-D-Xylopyranose","Diacetyl","PIMELIC ACID","9-(5-O-Methylpentofuranosyl)-1,9-dihydro-6H-purin-6-one","L-methionine-R-sulfoxide","METHYLSUCCINIC ACID","2,6-DINITRO-4-FLUOROPHENOL","m-hydroxy-Hydrocinnamic acid","ERYTHRULOSE, D-","Indole-3-acrylic acid","S-Allylcysteine","Orotic acid","Itaconic acid","6-Oxopiperidine-2-carboxylic acid","(-)-Camphanic acid","Maleic acid","3-Mercapto-2-methyl-1-butanol","Zymonic acid","Butanone","Metacetamol","L(-)-Fucose","N-Acetyl-DL-glutamic acid","2-Hydroxycaproic acid","2-Hydroxy-3-methylbutyric acid","2-Aminothiazole","1-(2-Furanylmethyl)-1H-pyrrole","4-Hydroxyquinoline-3,7-dicarboxylic acid","Mytilitol","Glabrin A","3-Cyclohexyl-2-hydroxypropanoic acid","Pyruvaldehyde","Ethyl 4-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside","beta-alanine betaine","L-Fucono-1,5-lactone","1-Rhamnono-1,4-lactone","Hydroxyminaline","3,6-dioxo-decanoic acid","7-Methyluric acid","2-Hydroxy-6-methylpyridine-4-carboxylic acid","5-(1-Hydroxyethyl)-3-(2-hydroxypropyl)-2(5H)-furanone","p-Cresol","3',5'-Cyclic AMP","1,3-Cyclohexanedicarboxylic acid","L-2-Hydroxyglutaric acid","Imidazolepropionic acid","Hydroxyethyl glycine","Ethanethioic acid","2-Hydroxynicotinic acid","3-Hydroxymandelic acid","Pantoic acid","4-Acetamidosalicylic acid","(E)-4-(6-methyl-1,2-dithiin-3-yl)but-1-en-3-yn-1-ol","N-Isovalerylglycine","Glycine formate","Lactic acid","D-()-Ribose","Hydroxidodioxidosulfidosulfate"],"additional_accession":[]},"is_claimable":false,"name":"LC-MS-based metabolomic analysis of Vd991 and VdGGCT knockout mutant strains","description":"This study aimed to identify differentially expressed metabolites between Vd991 and VdGGCT knockout mutant strains using liquid chromatography-mass spectrometry (LC-MS). A total of 6 samples, including both Vd991 and VdGGCT knockout mutant groups, were analyzed to explore metabolic changes and discover key metabolites associated with the mutation phenotype.","dates":{"publication":"2026-05-11","submission":"2026-04-29"},"accession":"MTBLS14397","cross_references":{"HMDB":["HMDB0002117","HMDB0006044","HMDB0062656","HMDB0000172","HMDB0001645","HMDB0000162","HMDB0012273","HMDB0000086","HMDB0000517","HMDB0000201","HMDB0301804","HMDB0000734","HMDB0000220","HMDB0254869","HMDB0000912","HMDB0000279","HMDB0000641","HMDB0000883","HMDB0001325","HMDB0001173","HMDB0003464","HMDB0000536","HMDB0000182","HMDB0000167","HMDB0002013","HMDB0000214","HMDB0028699","HMDB0000050","HMDB0000721","HMDB0029074","HMDB0001257","HMDB0000696","HMDB0244507","HMDB0033142","HMDB0013222","HMDB0000295","HMDB0001149","HMDB0004705","HMDB0000267","HMDB0011175","HMDB0028917","HMDB0302754","HMDB0000965","HMDB0000300","HMDB0000132","HMDB0001397","HMDB0028920","HMDB0029124","HMDB0251288","HMDB0253028","HMDB0000992","HMDB0001314","HMDB0000759","HMDB0001488","HMDB0000244","HMDB0000939","HMDB0003045","HMDB0247031","HMDB0002961","HMDB0001370","HMDB0000875","HMDB0000230","HMDB0028840","HMDB0000212","HMDB0249229","HMDB0251566","HMDB0000195","HMDB0000206","HMDB0003334","HMDB0304810","HMDB0028906","HMDB0028916","HMDB0032985","HMDB0003337","HMDB0003357","HMDB0000157","HMDB0005886","HMDB0001406","HMDB0000062","HMDB0028756","HMDB0028766","HMDB0028910","HMDB0304423","HMDB0001016","HMDB0003229","HMDB0001138","HMDB0000229","HMDB0000034","HMDB0000562","HMDB0259044","HMDB0304954","HMDB0015109","HMDB0005765","HMDB0028848","HMDB0253663","HMDB0011179","HMDB0000101","HMDB0029156","HMDB0002259","HMDB0004620","HMDB0000070","HMDB0001123","HMDB0001185","HMDB0010382","HMDB0028801","HMDB0028694","HMDB0062769","HMDB0000725","HMDB0011733","HMDB0000684","HMDB0002056","HMDB0011506","HMDB0001431","HMDB0250631","HMDB0033971","HMDB0028700","HMDB0000824","HMDB0028900","HMDB0011718","HMDB0258979","HMDB0251359","HMDB0028922","HMDB0029131","HMDB0029052","HMDB0001373","HMDB0259164","HMDB0001520","HMDB0240597","HMDB0252212","HMDB0003431","HMDB0015522","HMDB0002038","HMDB0029004","HMDB0029118","HMDB0004326","HMDB0028853","HMDB0029005","HMDB0032628","HMDB0254199","HMDB0002366","HMDB0001248","HMDB0002232","HMDB0006245","HMDB0094708","HMDB0059838","HMDB0005862","HMDB0255176","HMDB0028986","HMDB0029140","HMDB0014731","HMDB0247556","HMDB0014634","HMDB0028831","HMDB0012286","HMDB0001256","HMDB0304396","HMDB0003871","HMDB0015217","HMDB0028796","HMDB0013126","HMDB0028823","HMDB0029046","HMDB0028905","HMDB0000234","HMDB0240687","HMDB0028759","HMDB0041949","HMDB0041943","HMDB0036584","HMDB0011171","HMDB0028765","HMDB0029015","HMDB0011503","HMDB0003355","HMDB0028734","HMDB0028960","HMDB0028993","HMDB0006024","HMDB0028994","HMDB0028712","HMDB0012082","HMDB0006488","HMDB0004824","HMDB0029108","HMDB0029104","HMDB0029112","HMDB0002088","HMDB0243524","HMDB0247418","HMDB0028843","HMDB0031085","HMDB0035089","HMDB0249529","HMDB0000186","HMDB0247976","HMDB0029120","HMDB0033601","HMDB0000738","HMDB0012252","HMDB0000763","HMDB0060997","HMDB0028909","HMDB0004669","HMDB0250396","HMDB0029029","HMDB0028738","HMDB0010725","HMDB0015333","HMDB0028991","HMDB0000252","HMDB0259193","HMDB0028966","HMDB0000209","HMDB0255737","HMDB0001547","HMDB0033910","HMDB0002210","HMDB0013624","HMDB0029115","HMDB0028972","HMDB0001238","HMDB0004610","HMDB0029390","HMDB0000073","HMDB0028804","HMDB0011745","HMDB0060722","HMDB0034450","HMDB0028912","HMDB0028976","HMDB0248395","HMDB0029001","HMDB0028764","HMDB0029094","HMDB0258243","HMDB0304291","HMDB0031195","HMDB0060530","HMDB0030475","HMDB0006050","HMDB0015385","HMDB0034236","HMDB0028926","HMDB0029027","HMDB0256384","HMDB0029739","HMDB0303909","HMDB0028867","HMDB0251289","HMDB0002343","HMDB0012280","HMDB0000369","HMDB0240274","HMDB0250657","HMDB0004362","HMDB0003876","HMDB0003447","HMDB0028913","HMDB0256086","HMDB0013209","HMDB0002925","HMDB0029676","HMDB0003312","HMDB0032013","HMDB0035078","HMDB0029100","HMDB0011632","HMDB0000094","HMDB0000302","HMDB0000290","HMDB0000940","HMDB0001401","HMDB0000935","HMDB0000156","HMDB0000148","HMDB0000968","HMDB0000072","HMDB0000812","HMDB0000625","HMDB0001068","HMDB0011649","HMDB0000210","HMDB0001530","HMDB0000163","HMDB0001078","HMDB0000114","HMDB0000169","HMDB0001367","HMDB0062316","HMDB0252849","HMDB0000134","HMDB0000963","HMDB0001316","HMDB0004701","HMDB0000749","HMDB0000133","HMDB0000089","HMDB0000765","HMDB0002917","HMDB0001090","HMDB0000807","HMDB0000205","HMDB0014511","HMDB0033750","HMDB0000491","HMDB0060274","HMDB0304632","HMDB0000355","HMDB0246561","HMDB0000159","HMDB0006330","HMDB0013247","HMDB0000045","HMDB0000748","HMDB0000177","HMDB0002712","HMDB0000191","HMDB0003681","HMDB0303447","HMDB0000444","HMDB0001366","HMDB0000005","HMDB0000379","HMDB0000902","HMDB0001066","HMDB0240603","HMDB0000929","HMDB0000251","HMDB0001254","HMDB0003040","HMDB0000208","HMDB0029576","HMDB0000122","HMDB0000217","HMDB0000766","HMDB0000145","HMDB0011477","HMDB0012305","HMDB0000296","HMDB0013623","HMDB0000187","HMDB0242602","HMDB0006801","HMDB0032388","HMDB0000661","HMDB0002130","HMDB0001900","HMDB0000720",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