MetaboLights

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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/m_MTBLS13309_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/m_MTBLS13309_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/a_MTBLS13309_LC-MS_positive_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/a_MTBLS13309_LC-MS_negative_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/s_MTBLS13309.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_CHS1_OE_7.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_CHS1_OE_4.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_pBI121_OE_7.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_pBI121_OE_7.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_QC3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_CHS1_OE_8.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_QC1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_CHS1_OE_5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_CHS1_OE_8.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_CHS1_OE_4.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_pBI121_OE_8.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_pBI121_OE_4.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_pBI121_OE_4.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_CHS1_OE_9.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_QC2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_pBI121_OE_9.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_CHS1_OE_5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_pBI121_OE_9.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_CHS1_OE_6.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_pBI121_OE_5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_pBI121_OE_8.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_QC1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_pBI121_OE_5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_CHS1_OE_9.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_CHS1_OE_7.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_QC2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_pBI121_OE_6.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_CHS1_OE_6.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/pos_QC3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309/FILES/RAW_FILES/neg_pBI121_OE_6.rawprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS13309The online KEGG, HMDB database was used to annotate the metabolites by matching the exact molecular mass data (m/z) of samples with those from database. If a mass difference between observed and the database value was less than 10 ppm, the metabolite would be annotated and the molecular formula of metabolites would further be identified and validated by the isotopic distribution measurements. We also used a in-house fragment spectrum library of metabolites to validate the metabolite identidification. MetaboLightsPublicLiquid Chromatography MS - negative - reverse phaseLiquid Chromatography MS - positive - reverse phaseAn ACQUITY UPLC HSS T3 column (100 mm×2.1 mm, 1.8 µm, Waters) was used for separation. The mobile phase consists of phase A (5 mmol/L ammonium acetate + 5 mmol/L acetic acid + water) and phase B (acetonitrile). Gradient elution conditions were set as follows: 0~0.8 min , 2% ~ 70%B; 0.8~2.8 min , 70% ~ 90% B; 2.8~5.3 min, 90% ~ 99% B; 5.3~5.9 min, 99% B; 5.9~7.5 min , 99% ~ 2% B;7.5~7.6 min , 2% B;7.6~10.0 min, 2% B; The flow rate is 0.35 mL/min. The injection volume for each sample was 4 µL. The column oven was maintained at 40℃.Metabolome analysis of tea leaves after transient overexpression of CsCHS1.Guizhou UniversityDongxue Lileafmass spectrometry assayWeigh 50 mg (±5 mg) of the sample and add 500 μL of 80 % icy methanol solution. Put a small amount of steel balls and grind them with a grinder, and incubated for 30 min at -20℃ to precipitate proteins, and centrifuged at 20000 g for 10 min at 4℃, supernatant centrifuged for 5 min again. The supernatant was transferred to a fresh vial for UPLC-HRMS analysis. The quality control (QC) sample was prepared by mixing an equal aliquot of the supernatant of samplesCamellia sinensishttps://www.ebi.ac.uk/metabolights/MTBLS13309Baoan Song.Dongxue Li. gydxli@aliyun.com.Zhuo Chen. State Key Laboratory of Green Pesticides, Guizhou University, Guiyang 550025, China. gychenzhuo@aliyun.com.Wenjing Xie.Xuehong Wu.Jia Liu.Zhongqiu Xia.Delu Wang.Michael Wisniewski.The acquired MS data pretreatments including peak picking, peak grouping, retention time correction, second peak grouping, and annotation of isotopes and adducts was performed using XCMS software. LC−MS raw data files were converted into mzXML format and then processed by the XCMS, CAMERA and metaX toolbox implemented with the R software. Each ion was identified by combining retention time (RT) and m/z data. Intensities of each peaks were recorded and a three dimensional matrix containing arbitrarily assigned peak indices (retention time-m/z pairs), sample names (observations) and ion intensity information (variables) was generated.Treatgydxli@aliyun.comAfter overexpressing CsCHS1 and the empty vector in the third and fourth leaves of tea plants, samples were collected, flash-frozen in liquid nitrogen, and stored at -80°C for metabolome analysis.MetabolomicsCamellia sinensisoverexpressionuntargeted analysisQ-Exactive Plusuntargeted metabolitesexperimental blankTea LeafleafThermo Vanquish Flex UPLCuntargeted metabolite profilingCamellia sinensisoverexpressionuntargeted analysisQ-Exactive Plusuntargeted metabolitesexperimental blankTea LeafleafThermo Vanquish Flex UPLCuntargeted metabolite profilingA high-resolution tandem mass spectrometer Q-Exactive Plus (Thermo Fisher Scientific) was used to detect metabolites eluted form the column. Each sample was operated in both positive and negative electrospray ionization mode. ESI temperature is 350℃. The voltage is +3800 volts in positive ion mode and -3400 volts in negative ion mode. The sweep gas pressure of the ion source is 0 Arb, Gas 1 (Auxiliary gas) pressures set to 15 Arb, Gas 2 (Sheath gas) pressures set to 50 Arb. The mass spectrometric data were obtained with full scan and data-dependent acquisition (DDA) modes. In one acquisition cycle, the full scan acquisition range is 70-1050 Da, and the resolution is 70k, AGC target is set to 3000000, maximum ion injection time is set to 100 ms. Then, the top 5 signal ions with a signal accumulation intensity of more than 100000 were selected from the full scan for DDA scanning, the DDA resolution is 17.5k, maximum ion injection time is set to 50 ms. Dynamic exclusion is set to 6 s.Kaempferol 3-rhamno-glucosideEmopamilFluoroacetic acid5-Methylcytosine7-Methyl-2-benzofurancarboxaldehydeMethacrolein2-Butanethiol3,4-Dimethylbenzoic acid2-Hydroxybenzaldehyde5-Methylfuran-2-carboxylic acidVitexin 2''-O-p-coumarateLysoPE(18:1(9Z)/0:0)Kynurenic acid4-Ethyl-2-methyloxazoleCuminyl alcoholCaffeine1-Amino-propan-2-olTetracosanoic acid2-AminopyridineGlycerol 1-myristatePalmitoylethanolamidealpha-Ionene20R-CamptothecinOctadeca-9,11-dienoic acidFradiomycin B;Neomycin BUrocanic acid1-Methylxanthinetrans-Cinnamic acidQuercetinDL-Indole-3-lactic acid (3-Indolelactic acid)Capryloylglycine4-Hydroxybenzaldehyde1,2,3,4,Tetrahydro-1,5,7-trimethylnapthaleneDG(18:1n7/0:0/18:4n3)2-Methyl-1-propanethiolLaricitrin3-PyridinemethanolDG(18:3n3/0:0/18:3n3)Guaninekeratan sulfate II (core 2-linked), degradation product 1OctadecanamidePyroglutamic acidL-Tryptophan3-Methylcrotonylglycine1,3,5-TrihydroxybenzeneLuteolincis-Caffeic acidL-TheanineNiacinamideACMC-20a9mkCitronellyl anthranilateMyricetin 3-galactosidePyridoxine4-VinylpyridineTetraethylene glycol monododecyl etherS-Adenosylmethionine2,4-Dihydroxy-nitrophenolMelizame7-MethylguanineMorpholineL-Glutamine3',4,4'-TrihydroxypulvinonePyrroline5-Aminopentanoic acid1,4-Benzodioxin-2(3H)-onePyrazineCholineOleamideDG(18:3n6/0:0/18:3n3)Amyl NitriteIsovitexinPalmitic amideFlavanoneDelphinidin 3-rutinosideTheobromineXanthurenic acidMyricetinPipecolic acid1,3-BenzodioxoleIndolineTG(8:0/8:0/8:0)Methylmalonic acid2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acidBetaine3-MethylxanthineLysoPE(16:0/0:0)7-MethylxanthineBiorobino6-methylguanosine1H-Imidazole-1-acetic acidN2,N2-Dimethylguanosinem-Coumaric acidL-2-Amino-5-hydroxypentanoic acid6-beta-D-Glucopyranosyl-8-beta-D-ribopyranosylapigeninPhosphorylcholine3-MethylindoleIsorhynchophyllineCorymbosideLysoPC(18:1/0:0)1-MethylguanineDimethyl sulfoxideTryptopholL-Aspartic acidSymmetric dimethylarginineRhodamine BHerniarinL-ArginineTrimethylamine N-oxideCyanidinIndole5-AminoimidazolePhthalic anhydrideRocuroniumPhenylethylamineMiscanthosideDodecanoic acid1-(Methylthio)-propaneBenzenesulfonamideDL-ArginineDiethyl phthalic acidN,N-DimethylanilineHydrocotarnineFuranone AN6,N6,N6-Trimethyl-L-lysine5-Hydroxyindole13-OxoODELysoPC 18:2N2, N2-Dimethylguanosine1-PyrrolidinecarboxaldehydeIsoleucineCatechinAdenosineAdenosine monophosphateThymineAdenineVinyl carbamatePropyl gallateCholine sulfate5-Ethyl-2-methyloxazolePro-Ile2-Hydroxyphenethylamine9-beta-d-ArabinofuranosylguanineLysoPC(16:0/0:0)Homogentisic acidisoleucine betainedehydro-beta-Ionone1-NaphthylamineDaidzeinN-Acetyl-2,3-dihydro-1H-pyrroleBeta-Aminopropionitrile1-Butanethiol3-Hydroxyphenylacetic acidD-PhenylalaninefalseMetabolome analysis of tea leaves after transient overexpression of CsCHS1Given that foliar diseases severely impact tea yield and quality, and prior research has shown that CsCHS1 positively regulates resistance to Didymella segeticola in tea leaves, we performed metabolomics analysis on tea leaves with transient overexpression of CsCHS1 to investigate the metabolites potentially regulated by Cs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