The metabolites were identified by accuracy mass (< 30 ppm) and MS/MS data which were matched with HMDB (http://www.hmdb.ca), massbank[8] (http://www.massbank.jp/), LipidMaps (http://www.lipidmaps.org), mzclound (https://www.mzcloud.org) and KEGG (http://www.genome.jp/kegg/). The robust LOESS signal correction (QC-RLSC) was applied for data normalization to correct for any systematic bias. After normalization, only ion peaks with relative standard deviations (RSDs) less than 30 % in QC were kept to ensure proper metabolite identification.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse phase","Liquid Chromatography MS - positive - reverse phase"],"chromatography_protocol":["Chromatographic separation was accomplished in an Thermo Vanquish system equipped with an ACQUITY UPLC® HSS T3 (150×2.1 mm, 1.8 µm, Waters) column maintained at 40 ℃. The temperature of the autosampler was 8 ℃. Gradient elution of analytes was carried out with 0.1% formic acid in water (A2) and 0.1% formic acid in acetonitrile (B2) or 5 mM ammonium formate in water (A3) and acetonitrile (B3) at a flow rate of 0.25 mL/min. Injection of 2 μL of each sample was done after equilibration. An increasing linear gradient of solvent B2/B3 (v/v) was used as follows: 0~1 min, 2% B2/B3; 1~9 min, 2%~50% B2/B3; 9~12 min, 50%~98% B2/B3; 12~13.5 min, 98% B2/B3; 13.5~14 min, 98%~2% B2/B3; 14~20 min, 2% B2-positive model (14~17 min, 2% B3-negative model).
"],"publication":["Schisantherin A interacts with gut bacteria to stimulate thermogenesis in adipose tissue via a TGR5-p-CREB-STAT6 signaling pathway."],"submitter_name":["Lili Ding"],"submitter_affiliation":["Shanghai University of Traditional Chinese Medicine"],"organism_part":["blood serum"],"technology_type":["mass spectrometry"],"disease":[""],"extraction_protocol":["Four times the volume of pre-cooled methanol was added to plasma, vortexed, incubated for 1 hour at –20℃, and then centrifuged at 14,000 g for 10 minutes at 4℃. Supernatant was collected, dried, and derivatized with 150 μL of 2-chlorobenzalanine in 80% methanol solution. After centrifugation, the supernatant was filtered for UPLC-MS/MS analysis.
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS13266"],"author":["Xunjiang Wang. State Key Laboratory of Discovery and Utilization of Functional Components in Traditional Chinese Medicine, Shanghai Key Laboratory of Compound Chinese Medicines and MOE Key Laboratory for Standardization of Chinese Medicines, Institute of Chinese Materia Medica, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Institute of Chinese Materia Medica, Shanghai University of Traditional Chinese Medicine. wangxjknow@shutcm.edu.cn.","Lili Ding. State Key Laboratory of Discovery and Utilization of Functional Components in Traditional Chinese Medicine, Shanghai Key Laboratory of Compound Chinese Medicines and MOE Key Laboratory for Standardization of Chinese Medicines, Institute of Chinese Materia Medica, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China. Institute of Chinese Materia Medica, Shanghai University of Traditional Chinese Medicine. liliding@shutcm.edu.cn. 86-21-51322506."],"data_transformation_protocol":["The raw data were firstly converted to mzXML format by MSConvert in ProteoWizard software package (v3.0.8789) and processed using XCMS for feature detection, retention time correction and alignment.
"],"study_factor":["Treatment"],"submitter_email":["liliding@shutcm.edu.cn"],"sample_collection_protocol":["Mice were fed either a normal chow diet or a high-fat diet (HFD). HFD-fed mice received daily oral administration of either vehicle (HFD group) or Sin A for 6 weeks. Serum samples were collected from obese mice after 3 weeks of Sin A treatment, centrifuged, and stored at −80 °C until metabolomic analysis.
"],"omics_type":["Metabolomics"],"study_design":["Obesity","Schisandra chinensis","untargeted metabolites","Mice"],"curator_keywords":["Obesity","Schisandra chinensis","untargeted metabolites","Mice"],"mass_spectrometry_protocol":["The ESI-MSn experiments were executed on the Thermo Q Exactive mass spectrometer with the spray voltage of 3.5 kV and -2.5 kV in positive and negative modes, respectively. Sheath gas and auxiliary gas were set at 30 and 10 arbitrary units, respectively. The capillary temperature was 325 ℃. The analyzer scanned over a mass range of m/z 81-1,000 for full scan at a mass resolution of 70,000. Data dependent acquisition (DDA) MS/MS experiments were performed with HCD scan. The normalized collision energy was 30 eV. Dynamic exclusion was implemented to remove some unnecessary information in MS/MS spectra.
"],"metabolite_name":["Sorbitol","D-Glucuronic Acid","Taurine","1-Methylhistamine","D-Fructose","Allantoin","Corticosterone","1-Hexadecylthio-2-hexadecanoylamino-1,2-dideoxy-sn-glycero-3-phosphocholine","Phosphoglycolic acid","Riboflavin","Indican","Phenylacetylglutamine","O-Phosphoethanolamine","Avermectin A1b aglycone","Formylanthranilic acid","Geranylacetone","Lithocholic acid","Alantolactone","(R)-2-O-Sulfolactate","Fructose 1,6-bisphosphate","Aspartame","gamma-Aminobutyric acid","3-Dehydroecdysone","2-Aminophenol","D-Alanyl-D-alanine","Heptanoic acid","Kynurenic acid","beta-Alanine","L-Histidine","Ketoleucine","2-Keto-6-acetamidocaproate","Agmatine","1,2-Benzoquinone","gamma-Glutamyl-beta-aminopropiononitrile","Palmitoylethanolamide","Anabasine","(R)-4-Hydroxymandelate","6-Hydroxyhexanoic acid","D-Gulono-1,4-lactone","Oxoglutaric acid","Retinoyl b-glucuronide","Styrene Oxide","Catechol","Citrulline","1-palmitoylglycerophosphocholine","Porphobilinogen","Nalbuphine","1,5-Naphthalenediamine","4-Oxoproline","L-Proline","Benzoate","Phenol","Methylimidazole acetaldehyde","3-Hydroxyanthranilic acid","Antibiotic JI-20A","4-Hydroxybenzaldehyde","2-(S-Glutathionyl)acetyl glutathione","1-Hexadecanol","Undecanoic acid","Hydroxykynurenine","Gabapentin","Ricinoleic acid","alpha-Tocopherol","Pyrrole-2-carboxylic acid","Dehypoxanthine futalosine","1,2,3-Trihydroxybenzene","Ureidopropionic acid","N6-Acetyl-L-lysine","Oleic acid","Gentisic acid","Glutaric acid","Se-Methylselenocysteine","13S-hydroxyoctadecadienoic acid","D-Phenyllactic acid","2-Keto-glutaramic acid","L-Olivosyl-oleandolide","4-Quinolinecarboxylic acid","Glutathione","N-Acetylglutamic acid","Niacinamide","Diaminopimelic acid","Aspirin","2-Aminobenzenesulfonate","Serotonin","Deoxyuridine","Melamine","3,4-Dihydroxymandelaldehyde","Phenylacetylglycine","4-Guanidinobutanoic acid","6-Methylmercaptopurine","Cholesterol","Caffeic acid","Limonene-1,2-diol","5-Hydroxymethyl-2-furancarboxaldehyde","3-(2-Hydroxyphenyl)propanoic acid","3-Dehydro-scyllo-inosose","Ritodrine","L-Valine","5,6-Dihydro-5-fluorouracil","Uracil","2-Dehydropantoate","Vitamin D3","3-Indoleacrylate","D-Lyxose","8-HETE","L-Kynurenine","Erucic acid","Ascorbate","Sphingosine 1-phosphate","Indoleacetaldehyde","8-Amino-7-oxononanoate","Cytosine","6-Hydroxyhexan-6-olide","Maleimide","3-Oxo-5beta-cholanate","Guanidinosuccinic acid","Oxidized glutathione","Dehydroepiandrosterone","Myristic acid","Avermectin B1b aglycone","Hypoxanthine","Selenomethionine","3-Methyladenine","L-Arginine","4-Hydroxyphenylacetaldehyde","2-Hydroxyglutarate","Indole","2-Arachidonoylglycerol","Putrescine","Isocitric acid","Bovinocidin","D-1-Piperideine-2-carboxylic acid","Homovanillic acid","1,1-Dimethylbiguanide","L-Cysteine","L-Carnitine","L-Lactic acid","Quinolinic acid","2-Hydroxybutyric acid","2-Aminobut-2-enoate","L-Glutamic gamma-semialdehyde","Homocitrulline","Adenine","N,N-Dimethylsphing-4-enine","Uric acid","Choline sulfate","Indolepyruvate","Acetylphosphate","3-Dehydroshikimate","Linoleic acid","Mesaconate","Fumaric acid","Palmitoleic acid","Aflatoxin B1","(S)-2-Acetolactate","3-Methyl-L-tyrosine","L-Serine","Norepinephrine","Lumichrome","Fomepizole","Beta-Leucine","3-Hydroxyphenylacetic acid","Aminohydroquinone","L-Phenylalanine","Sucrose","HC-toxin","Dihydroxyacetone phosphate","N-Butyryl-L-homoserine lactone","Docosahexaenoic acid","Alanyltryptophan","2-Pyrocatechuic acid","Spermidine","Saccharopine","Coniferyl aldehyde","4-Hydroxycinnamic acid","Uracil 5-carboxylate","Taurocholic acid","2-Amino-3-phosphonopropionic acid","3-Epiecdysone","Pyrethrosin","N-Formyl-L-methionine","Deltaline","Vanillylmandelic acid","(S)-Methylmalonic acid semialdehyde","D-Xylitol","L-Methionine","N-Methyltyramine","(R)-5,6-Dihydrothymine","Sphinganine 1-phosphate","Indolebutyric acid","Suberic acid","5-(2-Hydroxyethyl)-4-methylthiazole","5-Hydroxyindoleacetaldehyde","N-Acetylornithine","(R)-3-Hydroxybutyric acid","(S)-4-Hydroxymandelate","Octadecanamide","1-Methylnicotinamide","myo-Inositol","Tridemorph","Prephenate","Indoleacetic acid","3-Amino-4-hydroxybenzoate","m-Cresol","S-Glutathionyl-L-cysteine","Dimethyl sulfone","D-Galactose","Chavicol","4-Hydroxycinnamoylagmatine","Protoporphyrinogen IX","2-Oxoarginine","2-Keto-6-aminocaproate","O-Acetylcarnitine","Pyridoxine","Adenosine 5'-phosphate disodium","Pimelic acid","trans-Cinnamoyl beta-D-glucoside","(-)-Epigallocatechin","L-Arogenate","PC(18_3(6Z,9Z,12Z)_18_3(6Z,9Z,12Z))","Choline","Indoleglycerol phosphate","Acetylcholine","Dihydrobiopterin","Capsidiol","FAPy-adenine","Kyotorphin","Dibutyl phthalate","Nicotinic acid","2-Deoxystreptamine","Acetylcysteine","5-Hydroxymethyluracil","L-Isoleucine","Pipecolic acid","Ursodeoxycholic acid","2-Methyl-3-oxopropanoic acid","5-Methyltetrahydrofolic acid","Orotic acid","26-Hydroxyecdysone","Methylmalonic acid","D-erythro-3-Methylmalate","Maleic acid","1-Hydroxy-2-naphthoate","Tryptophanol","Asymmetric dimethylarginine","(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid","N-Methylhydantoin","4-Acetamidobutanoic acid","Pterin","AMP","beta-Alanyl-L-arginine","Benzaldehyde","Lathosterol","Phosphorylcholine","Methyl (indol-3-yl)acetate","L-Methionine S-oxide","Methyl jasmonate","Cytidine","L-2,4-diaminobutyric acid","2,4-Dinitrotoluene","Hydroquinone","Confertifolin","gamma-Glutamylalanine","Palmitoyl-L-carnitine","D-Arabitol","L-Glutamate","N-Alpha-acetyllysine","Beta-D-Glucose","Sodium deoxycholate","3,4-Dihydroxyphenylpropanoate","Dodecanoic acid","Ribavirin","Chlorohydroquinone","Azelaic acid","Sphinganine","Epsilon-caprolactam","Hydrogen phosphate","Butyryl-L-carnitine","3,4-Dihydroxyphenylglycol","L-Rhamnofuranose","erythro-3-Hydroxy-Ls-aspartate","Thymine","Docosatetraenoyl Ethanolamide","Dethiobiotin","Oleoylethanolamide","4,5-Dihydroorotic acid","1-Methyladenosine","S-Lactoylglutathione","D-Ribose","Carbamoyl phosphate","Sulfate","(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester","Pyrimidodiazepine"],"additional_accession":[]},"is_claimable":false,"name":"Metabolomic Profiling Following Sin A Treatment","description":"Schisantherin A, a natural product, safely alleviates obesity and associated metabolic disorders by orchestrating crosstalk among immune, neuronal, adipose cells, metabolic organs, and gut bacteria via increased circulating conjugated bile acids.
","dates":{"publication":"2025-11-21","submission":"2025-11-05"},"accession":"MTBLS13266","cross_references":{}}