MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/m_MTBLS15185_LC-MS_positive_not-available_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/m_MTBLS15185_LC-MS_negative_not-available_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/s_MTBLS15185.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/a_MTBLS15185_LC-MS_positive_not-available.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/a_MTBLS15185_LC-MS_negative_not-available.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W26_04_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W19_05_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_QC_02_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W19_02_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W19_01_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W26_05_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W26_04_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W19_05_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W19_02_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W26_01_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W26_02_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W26_01_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W26_01_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W19_05_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W26_05_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W19_01_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W19_04_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W19_04_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W26_05_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W26_04_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W26_02_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W19_02_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W26_02_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_QC_01_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W19_01_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W26_03_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W26_02_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W26_05_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W19_03_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W19_03_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W19_04_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W19_04_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W19_01_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W26_03_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_QC_03_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_QC_02_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W19_02_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_QC_01_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W19_03_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W19_03_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W26_03_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W26_04_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W26_03_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_EM_W19_05_NEG.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_LM_W26_01_POS.mzXMLftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185/FILES/DERIVED_FILES/CQ_NGM_QC_03_NEG.mzXMLprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15185<p>Metabolite annotations were taken from the existing feature and annotation matrices. The submitted mzXML files contain centroided full-scan MS1 data only. Annotation software database or spectral-library versions matching tolerances scoring thresholds confidence levels and authentic-standard confirmation were not provided. Annotations are reported as supplied without assigning an unsupported identification confidence level.</p>MetaboLightsPublicLiquid Chromatography MS - negative - not-availableLiquid Chromatography MS - positive - not-available<p>Chromatographic separation was performed by ultra-high-performance liquid chromatography UHPLC. The UHPLC make and model autosampler analytical and guard columns mobile phases additives gradient program flow rate injection volume and temperature settings were not provided in the supplied materials.</p>Untargeted LC-MS metabolomics of redclaw crayfish gonads.Luoqing LiGuangxi Minzu Universitygonadmass spectrometry assay<p>Extraction preceded untargeted LC-MS analysis. The supplied materials do not specify sample mass extraction solvent or volume internal standards homogenization or sonication incubation centrifugation drying reconstitution or the procedure used to prepare the pooled quality-control samples.</p>Cherax quadricarinatushttps://www.ebi.ac.uk/metabolights/MTBLS15185Luoqing Li. Guangxi Minzu University. vidison2022@163.com.Qin Zhang. Guangxi Minzu University. zhangqin@gxmzu.edu.cn.Yongqiang Liu. Guangxi Minzu University. liuyongqiang@gxmzu.edu.cn.<p>Spectral data were converted to centroided mzXML using ProteoWizard 3.0.24054. Processing of the existing feature matrices included total-ion-current TIC normalization filtering of features with RSD greater than 30% or detection rate below 50% and half-minimum imputation of missing values. Software and settings for feature detection deconvolution retention-time alignment and integration were not provided.</p>Experimental groupvidison2022@163.com<p>Gonad samples of Cherax quadricarinatus were analyzed. The dataset comprises 20 biological samples assigned to four experimental groups n=5 per group and three pooled quality-control samples. Animal sampling gonad dissection collection time preservation transport and storage conditions were not provided in the supplied materials.</p>MetabolomicsLiquid Chromatography Mass Spectrometrybiological sampleMetabolomicsuntargeted analysisThermo Scientific Orbitrap Exploris 120gonadpooled quality-control sampleOrbitrap Exploris 120mass spectrometryCherax quadricarinatusultra high performance liquid chromatographyLiquid Chromatography Mass Spectrometrybiological sampleMetabolomicsuntargeted analysisThermo Scientific Orbitrap Exploris 120gonadpooled quality-control sampleOrbitrap Exploris 120mass spectrometryCherax quadricarinatusultra high performance liquid chromatography<p>Mass spectra were acquired on a Thermo Scientific Orbitrap Exploris 120 with electrospray ionization in separate positive- and negative-ion assays. The submitted mzXML files contain centroided full-scan MS1 data over m/z 70-1200 no MS2 scans are present. Resolution AGC target injection time source temperatures gas flows spray voltage and other acquisition settings were not provided.</p>Thr-PhePeriplogeninPhosphoglycolic acid2'-O-Methyluridine2-Pyrimidinylacetic acidDeoxyinosineMethyl Acetate1-Heneicosanoyl-glycero-3-phosphoserineThiolutinL-ErythruloseN-AcetylvalineDihydroxyacetone dimerLysine, N2,N6-diacetyl-CaplaminGPEtn(16:0p/22:6(4Z,7Z,10Z,13Z,16Z,19Z))Tramiprosate2,2',4,4'-TetrahydroxybenzophenoneCMP-2-aminoethylphosphonateNitecaponeCitrullineGlycolateCapric acidMesaconic acidalpha-Tocopherol (Vitamin E)4-HydroxybenzaldehydeN-Desmethyl imatinibPodophyllotoxin, glucosideN2-Acetylornithine1-Erucoyl-2-oleoyl-sn-glycero-3-phosphoethanolamineTetrahydro-5-oxofuran-2,3-dicarboxylic acidArabinono-1,4-lactoneOleic acidGlutathione4-Hydroxyglutamic acidHistidylcysteine2-Methyl-N-(4-methylphenyl)alanineN-AcetylvanilalaninePE-NMe2(18:1(9Z)/18:1(9Z))Pseudouridine3-beta-Galactosyl-sn-glycerolMaltopentaoseHMBOA-GlcTerephthalic-AcidHis-ValN6-Methyladenine2-Hydroxypalmitic acidPro-GlyD-glucaro-1,4-lactonePantothenic acidUreidoacrylate(S)-3,4-Dihydroxybutyric acid (lithium hydrate)Anthranilic acid (Vitamin L1)Hygric acidSeryl-prolineIsovaleric acidRibothymidinePristanic acidLeu-ValGlutamylphenylalanineTrehalose-6-PhosphateAcetylglycineFenarimolGlyceric acidLactaldehydePhthalic acid2-Aminoisobutyric acidProlylalaninePI(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))2-Phenyllactic acid4-O-Methyl-a-glucosyl-(1->2)-b-xylosyl-(1->4)-xylosePyrophosphate3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione1-Octadecanoyl-sn-glycero-3-phosphoethanolamine(3R,4R)-3,4-dihydroxyoxolan-2-onePS(18:0/18:2)Malonic acidSerinecis-11.14-Eicosadienoic acid(-)-MitragynineDihydroxyoctadecanoic acidIsocitric acidGeranylgeranyl diphosphate (Geranylgeranyl-PP)Glutamylasparagine3-Hydroxypropionic acid (beta-lactic acid)N-LauroylglycineGly-His13-OxoODE2,6-Diamino-7-hydroxy-azelaic acid3-Methylglutaconic acid2,4-Dihydroxybutanoic acidAlloseLinoleic acidHis-IlePA(16:0/18:2(9Z,12Z))ButabarbitalFumaric acidN-ValylphenylalanineEstriol 16-glucuronideBenzoic acidC14 SphingomyelinPhe-ProPhenylalanylphenylalanineOxazolidinDodecyl gallate2-O-(alpha-Glucopyranosyl)glycerolGlycylprolineN-DesmethylverapamilO-AcetylserineBis(glycerophospho)-glycerol(2R)-6-Oxo-2-piperidinecarboxylic acid[(E)-5-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetatePhytanic acid6-FormylpterinTaurocholic acidPhenylbutyrylglutamineLopinavirIsodeoxycholic acidPE(18:0/20:3(5Z,8Z,11Z))Urocanic acid1H-Imidazole-4-methanolValeric acidAbietic acidRibitolNitrofurazone4-Aminobenzoic acid1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamineN-Stearoyl TaurineAcetylenedicarboxylate2-MethylbutyrylglycineSuberic acidalpha-Ketoglutaric acid (alpha-KG)5-o-Phosphonopentose2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-ol(S)-3-amino-2-methylpropanoic acidCer(d18:1/16:0)HydroxyacetoneN-Acetylphenylalanine1-(Acetyloxy)-1,2-dihydroobacunoic acid eta-lactoneHis-Glu2-Aminoheptanoic acidCysteine-glutathione disulfideMannose 1-phosphateCitric acidGlycylleucine7-Methylguanine1-[2-[(1-Acetylpyrrolidine-2-carbonyl)amino]acetyl]pyrrolidine-2-carboxylic acidPE(18:0/22:5(4Z,7Z,10Z,13Z,16Z))cis-9-Palmitoleic acidGln-Val5-Aminopentanoic acid15-Methylhexadecanoic acid(2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoate3-Sulfopropanoic acidbeta-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-glucopyranosyl-(1->6)-mannoseHydroxyisocaproic acidcis-​9,​10-​Epoxystearic acidOctacosapentaenoic acidItaconic acidLeu-Leu2'-DeoxyuridinePiperolactam DStearic acidEthyl 4-hydroxybenzoateDaminozideWarfarinDoxifluridineMethyl β-D-GalactopyranosideBisphenol S(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-hydroxypropanoateN-Methyl-L-asparagineZosteric aciderythro-galacto-Nonulose5,7-Dihydroxy-3',4',5'-trimethoxyflavoneBisphenol BDeoxythymidine 5'-phosphate (dTMP)MESDL-PhenylserineRisedronate(-)-Chicoric acidPhosphatidylserines(1-Hydroxycyclohexyl)acetic acidAlanylalanine (Ala-Ala)1-MethylhistidineDodecanoic acidGlyoxylic acidLysoPE(P-18:0/0:0)Ethyl aconitatePE(P-18:1(11Z)/18:1(9Z))cis-Aconitic acidGlycerophosphoethanolaminePE(18:1(11Z)/20:4(5Z,8Z,11Z,14Z))2-Hydroxyethanesulfonic acidGly-SerResveratrol triacetateThymineCilomilastPelargonic acid2-Hydroxyglutaric acidHyodeoxycholic acidDipalmitoylphosphatidylglycerolN-Acetyl-9-aminominocycline, (4R)-Pantoic Acid4-HydroxyisoleucineN-(hexadecanoyl)-4E,14Z-sphingadienineGalactoseN-Acetylalanine16-Hydroxypalmitic acidIsoleucyl-Prolinebeta-Alanyl-L-lysineTaurineCarbamoyl PhosphateEmbelinLPG(18:1(9Z))gamma-Glutamyl-S-(hercyn-2-yl)-cysteine S-oxide [M]Mannose 6-phosphate6-HydroxynorleucineOxydonTrifluoroacetic acidD-ribofuranoseKynurenic acidbeta-AlanineSuccinateHistidylthreonineMethioninealpha-Ketoisovaleric acidtrans-Vaccenic acid9-Methylxanthinecis-11-Eicosenoic acidCholesteryl sulfate1-Nonadecanoyl-glycero-3-phosphoserineCarnosineFructose 1-phosphateN-Acetylglutaminegamma-Glutamylglutamic acid2-Aminobutyric acidVigabatrinPhosphatePI(18:1/18:1)Imidazolone APentadecanoic acidPhenylalanineGalactinolN-Acetyl-beta-alanine17-ODYA2-AminoadenosinenorfuraneolGlu-GlyEicosapentaenoic acidUracilGlu-GluIndolelactic acidRibulose 5-phosphatep-HydroxybenzoylecgonineL-Valyl-L-proline5-Aminolevulinic acidCaprylic acid3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylateEvodia fruit3-Methyluridine6-Aminonicotinic acid5-(4-Hydroxyphenyl)-5-phenylhydantoin1-Oleoyl-sn-glycerol 3-phosphateIle-Leu12-Methyltridecanoic acidDeoxyguanidinoproclavaminic acidBenserazideGinnalin A5-Oxooctanoic acidMyristic acidArabitolHypoxanthine2'-O-Methylinosine2'-Deoxyguanosine 5'-diphosphate (dGDP)Isobutyric Acidgamma-Linolenic acidTyrosine O-sulfate5Z,8Z,11Z-Eicosatrienoic acidPE(18:0/20:4(5Z,8Z,11Z,14Z))alpha-Linolenic acid2-Oxovaleric acid3-hydroxybenzaldehyde9,13-Dihydroxy-4-megastigmen-3-one 9-glucosideLeucine enkephalinBovinocidinDeoxyuridine monophosphate (dUMP)LPC(13:0)Ribitol 5-phosphateUDP-N-acetylglucosamineGly-Ala2-Hydroxybutyric acidgamma-Glutamyllysinecis-8,11,14-Eicosatrienoic acidlysophosphatidylinositolIsoleucine(2S,4S)-4-cyclohexyl-1-[2-[(2-methyl-1-propanoyloxypropoxy)-(4-phenylbutyl)phosphoryl]acetyl]pyrrolidine-2-carboxylic acid2-Ethyl-2-hydroxybutyric acidGlycerol 2-phosphateArachidonic acid (AA)PyruvateThreonic acidFructoseTimonacic4-[(3,4-dimethoxyphenyl)methyl]-3-[[3-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-oneGly-Phe4-ChromanoneHeptadecanoic acidCitraconic acid1,2,3-Propanetricarboxylic acid1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserineDimethylglycineLumichromeDihydroxyacetoneCaproic acidPalmitic acid5-CarboxycytosineAla-GlyN-AcetylmethionineMesoxalic acidHistidine2-Amino-3-({hydroxy[2-(icosanoyloxy)-3-[octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propanoic acidGDP-fucose2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl 2-amino-3-methylbutanoateEthyl 3-hydroxybenzoateAla-GlnAcetylleucinePropionic acidGly-ValValproic acid4-Hydroxy-threonine2-[3-(quinolin-2-ylmethoxy)anilino]benzoic acid3-Cyanopropanoic acidN5-acetyl-l-ornithineDocosahexaenoic acid (DHA)2-Hydroxystearic acid1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserineMethyl β-D-glucopyranosideN-Acetylhistamine3-Dehydroquinate4-VinylphenolL-Valyl-L-phenylalanineImidazol-2-oneHomovanillic acid sulfateN-LactoylleucineL-alpha-Glutamyl-L-aspartic acid3',4',7-TrihydroxyisoflavoneThreonylserine zwitterion1,2-Dihexadecanoyl-sn-glycero-3-phosphoserine1-tetradecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholineTuranosePicolinic acidThr-LeuEpoxudine1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, 5,5-dioxide, (3aS,4S,6aR)-8-Chlorotheophyllinemyo-Inositol4-Chloro-5-sulfamoylanthranilic acidSorbosePyroglutamic acid1-(linoleoyl)-sn-glycero-3-phosphoethanolaminePE(P-18:1(11Z)/16:1(9Z))Hydroxyphenyllactic acidN-LactoylphenylalanineAlanineN-AcetylhistidineLevulinic acid1-MethylpseudouridineIsomaltoseXanthineAscorbic acid-2-glucoside2-Hydroxyisobutyric acidLeucylphenylalanineTrandolaprilatLysoPI(18:1(9Z)/0:0)Lactate3-(Imidazol-5-yl)lactateL-Glutaminyl-L-threonine2-Hydroxyhexanoic acidIsopropyl methylphosphonateRibose-1-PhosphateUrsodeoxycholic acidIsocaproic acidOrotic acidPantetheineMethylmalonic acid3-Hydroxypyruvic acidMalic acid3-Phosphoglyceric acidDocebenoneGluconic acid1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine3-Amino-4-methylpentanoic acidalpha-Rhamnopyranosyl-(1->2)-beta-galactopyranosyl-(1->2)-beta-glucuronopyranosideCidofovirCytidine 2',3'-cyclic phosphatePyrrole-2-carboxaldehydeTheanineDistearoylphosphatidylglycerolAdipate semialdehydeN-Acetyltyrosine2-Hydroxy-2-methylbutyric acid3,5-Dihydroxydecanoic acidOxypurinolNonadecanoic acidPyruvaldehyde12-Hydroxystearic acidThr-ProDiglycineGly-Asp2-Oxoadipic acidN(omega)-(ADP-ribosyl)-arginineMethionine sulfoxidep-Toluquinone3,3',4',5,7-PentahydroxyflavanoneN-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamideRaffinoseAzelaic acidL-Tenuazonic acidVomifoliol 9-[xylosyl-(1->6)-glucoside]2-Amino-3-({hydroxy[2-[icosa-5.8.11-trienoyloxy]-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)propanoic acid3'-O-Methylinosine2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine4-Ethoxybenzoic acidTartaric acidDeoxycholic acidThr-CysNeogrifolinPE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))Cer(d18:1/18:1(9Z))1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine2'-Deoxyguanosine 5'-monophosphate (dGMP)falseUntargeted LC-MS metabolomics of redclaw crayfish gonadsUntargeted LC-MS metabolomics was performed on 20 Cherax quadricarinatus gonad samples in four groups n=5 each plus three pooled QC samples. Positive- and negative-ion mzXML files were generated using a Thermo Scientific Orbitrap Exploris 120. The submitted files contain centroided full-scan MS1 data vendor RAW and MS2 files were not 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