<HashMap><database>MetaboLights</database><file_versions><headers><Content-Type>application/xml</Content-Type></headers><body><files><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/m_MTBLS15292_LC-MS_negative_hilic-1_v2_maf.tsv</Tabular><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/m_MTBLS15292_LC-MS_positive_hilic_v2_maf.tsv</Tabular><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/a_MTBLS15292_LC-MS_negative_hilic-1.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/s_MTBLS15292.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/i_Investigation.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/a_MTBLS15292_LC-MS_positive_hilic.txt</Txt><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/LPS4.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/XCD4.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/Con4.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/LPS3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/XCD1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/Con1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/XCD4.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/LPS1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/LPS6.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/LPS1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/LPS4.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/LPS5.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/XCD5.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/LPS2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/Con4.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/Con1.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/Con6.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/Con3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/Con6.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/LPS5.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/Con3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/Con2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/XCD6.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/LPS2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/XCD3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/XCD2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/XCD6.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/Con5.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/NEG/XCD3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/Con2.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/LPS3.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/Con5.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/LPS6.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/POS/XCD5.mzML</Mzml><Mzml>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15292/FILES/DERIVED_FILES/N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mass-spectrometry files were converted to mzML with ProteoWizard before peak detection, alignment, and retention-time correction in XCMS. Features absent from more than 50% of all samples were excluded. Missing observations in the remaining data were addressed using KNN together with one-fifth-minimum imputation: values with a missing proportion above 50% were assigned one fifth of the minimum, whereas values with a missing proportion below 50% were estimated by KNN. Support vector regression (SVR) was subsequently applied to normalize peak areas.&lt;/p>&lt;p>For annotation, the normalized and filtered features were queried against an internal laboratory library, integrated public resources, and prediction databases. Assignments were retained only when the overall identification score exceeded 0.5 and the coefficient of variation (CV) in quality-control (QC) samples was below 0.3. Positive- and negative-ion records were consolidated by retaining the entry with the highest identification confidence and lowest CV, thereby generating the final metabolite matrix.&lt;/p>&lt;p>&lt;br>&lt;/p></metabolite_identification_protocol><repository>MetaboLights</repository><study_status>Public</study_status><ptm_modification></ptm_modification><instrument_platform>Liquid Chromatography MS - positive - hilic</instrument_platform><instrument_platform>Liquid Chromatography MS - negative - hilic</instrument_platform><chromatography_protocol>&lt;p>Chromatographic column: Waters ACQUITY Premier HSS T3 Column, 1.8 µm, 2.1 mm × 100 mm; Mobile phase A: 0.1% formic acid/water; Mobile phase B: 0.1% formic acid/acetonitrile; Instrument column temperature: 40 °C; Flow rate: 0.4 mL/min; Injection volume: 4 μL&lt;/p></chromatography_protocol><publication>Integrated transcriptomic and metabolomic analyses identify key metabolites and genes in sepsis-associated acute lung injury.</publication><submitter_affiliation>The Second Affiliated Hospital of Liaoning University of Traditional Chinese Medicine</submitter_affiliation><submitter_name>He Huang</submitter_name><organism_part>blood serum</organism_part><technology_type>mass spectrometry assay</technology_type><disease></disease><extraction_protocol>&lt;p>Remove the sample from a-80 °C freezer and place it on ice to thaw until no ice crystals remain in the sample (all subsequent operations shall be performed on ice); After thawing the sample, vortex for 10 s to mix thoroughly, then transfer 50 μL of the sample to a corresponding numbered centrifuge tube; Add 300 μL of a 20 % acetonitrile–methanol internal standard extraction solution, vortex for 3 min, and centrifuge at 12,000 rpm for 10 min at 4 °C;Following centrifugation, transfer 200 μL of the supernatant to another corresponding numbered centrifuge tube, and let it stand at-20 °C for 30 min; Centrifuge again at 12,000 rpm for 3 min at 4 °C, then transfer 180 μL of the supernatant to the liner tube of the corresponding injection vial for instrument analysis.&lt;/p></extraction_protocol><organism>Rattus norvegicus</organism><full_dataset_link>https://www.ebi.ac.uk/metabolights/MTBLS15292</full_dataset_link><author>He Huang. The Second Affiliated Hospital of Liaoning University of Traditional Chinese Medicine. hhe_2yuan@163.com.</author><data_transformation_protocol>&lt;p>The raw mass spectrometry data were first converted from mzXML format to mzML format using ProteoWizard; peak extraction was then performed using the XCMS software, followed by alignment and retention time correction. Peaks with a missing rate&amp;gt;50% in each sample group were filtered out; blank values were imputed using the KNN method combined with the 1/5 minimum value (for blank values&amp;gt;50%, imputation was performed using the 1/5 minimum value; for blank values &amp;lt;50%, imputation was performed using the KNN method); finally, the peak areas were corrected using the Support Vector Regression (SVR) method. The filtered peaks were subsequently used for metabolite identification by searching against the laboratory's proprietary database, integrating public databases, and utilizing predictive databases. Ultimately, compounds with an integrated identification score ≥0.5 and a Quality Control (QC) sample coefficient of variation (CV) value &amp;lt;0.3 were selected, after which positive and negative mode data were merged—retaining the compounds with the highest qualitative confidence level and the smallest CV value.&lt;/p></data_transformation_protocol><study_factor>Treatment</study_factor><submitter_email>hhe_2yuan@163.com</submitter_email><sample_collection_protocol>&lt;p>Euthanasia was performed by injecting propofol emulsion&amp;nbsp;(60mg/kg)&amp;nbsp;via the tail vein, after which blood was collected from the abdominal aorta. After centrifugation, collect the serum in a sterile, enzyme-free EP tube using a laminar flow hood; seal the tube with a sealing film, flash-freeze it in liquid nitrogen, and store it at –80 °C.&lt;/p></sample_collection_protocol><omics_type>Metabolomics</omics_type><study_design>Thermo Scientific Vanquish UHPLC System</study_design><study_design>Metabolomics</study_design><study_design>ProteoWizard msconvert</study_design><study_design>untargeted analysis</study_design><study_design>Thermo Scientific Q Exactive HF-X</study_design><study_design>Rattus norvegicus</study_design><study_design>blood serum</study_design><study_design>Thermo Fisher Scientific (United States)</study_design><study_design>experimental blank</study_design><study_design>acute lung injury</study_design><study_design>untargeted metabolite profiling</study_design><curator_keywords>Thermo Scientific Vanquish UHPLC System</curator_keywords><curator_keywords>Metabolomics</curator_keywords><curator_keywords>ProteoWizard msconvert</curator_keywords><curator_keywords>untargeted analysis</curator_keywords><curator_keywords>Thermo Scientific Q Exactive HF-X</curator_keywords><curator_keywords>Rattus norvegicus</curator_keywords><curator_keywords>blood serum</curator_keywords><curator_keywords>Thermo Fisher Scientific (United States)</curator_keywords><curator_keywords>experimental blank</curator_keywords><curator_keywords>acute lung injury</curator_keywords><curator_keywords>untargeted metabolite profiling</curator_keywords><mass_spectrometry_protocol>&lt;p>Data acquisition alternated full-scan MS with data-dependent MS/MS under dynamic-exclusion conditions. Electrospray ionization was operated in positive and negative modes across m/z 75-1000 at a resolving power of 35,000. The remaining parameters were set as follows: spray voltage, 3.5 kV in positive mode and 3.2 kV in negative mode; sheath gas, 30 Arb; auxiliary gas, 5; ion-transfer-tube temperature, 320 °C; vaporizer temperature, 300 °C; collision energies, 30, 40, and 50 V; signal-intensity threshold, 1.00E+06 cps; Top N/Top speed, 10; and exclusion duration, 3 s.&lt;/p></mass_spectrometry_protocol><metabolite_name>cis-11-Methyl-2-dodecenoic acid</metabolite_name><metabolite_name>4,6-Dinitro-O-cresol</metabolite_name><metabolite_name>[(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl] tetracosanoate</metabolite_name><metabolite_name>cis-3-Hexenyl pyruvate</metabolite_name><metabolite_name>Pyrocatechol</metabolite_name><metabolite_name>Cysteylalanine</metabolite_name><metabolite_name>DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/0:0)</metabolite_name><metabolite_name>Verrucarin A</metabolite_name><metabolite_name>2-Butyne-1,4-diol</metabolite_name><metabolite_name>Propyl 1-(propylsulfinyl)propyl disulfide</metabolite_name><metabolite_name>5,8,11,14-Eicosatetraenoic acid, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, (5Z,8Z,11Z,14Z)-</metabolite_name><metabolite_name>Ketoleucine</metabolite_name><metabolite_name>3-Methylcrotonyl Glycine</metabolite_name><metabolite_name>Cis-8,11,14,17-Eicosatetraenoic acid</metabolite_name><metabolite_name>GPEtn(16:0p/22:6(4Z,7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>1-Octadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)</metabolite_name><metabolite_name>Trichloroethanol glucuronide</metabolite_name><metabolite_name>10-HDoHE</metabolite_name><metabolite_name>FFA(18:1)</metabolite_name><metabolite_name>Erythrinasinate A</metabolite_name><metabolite_name>1-Kestose</metabolite_name><metabolite_name>Carboprost</metabolite_name><metabolite_name>1,2-Dioctadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)</metabolite_name><metabolite_name>4-Hydroxyphenyl-2-propionic acid</metabolite_name><metabolite_name>N-Acetyl-D-tryptophan</metabolite_name><metabolite_name>4-Hydroxybenzaldehyde</metabolite_name><metabolite_name>PE-NMe2(16:1(9Z)/16:1(9Z))</metabolite_name><metabolite_name>Mevinphos</metabolite_name><metabolite_name>1-(9Z-octadecenoyl)-2-(11Z-eicosenoyl)-sn-glycerol</metabolite_name><metabolite_name>Isoelemicin</metabolite_name><metabolite_name>1-Stearoyl-2-palmitoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>PE-NMe(18:1(9Z)/15:0)</metabolite_name><metabolite_name>(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid</metabolite_name><metabolite_name>Terpinyl isobutyrate</metabolite_name><metabolite_name>thromboxane B2</metabolite_name><metabolite_name>alpha-Fluoro-beta-alanine</metabolite_name><metabolite_name>N-Phenylacetylglycine</metabolite_name><metabolite_name>PE-NMe(14:1(9Z)/14:1(9Z))</metabolite_name><metabolite_name>(9E,11E)-Octadecadienoic acid</metabolite_name><metabolite_name>Ethylene brassylate</metabolite_name><metabolite_name>D-Alanyl-alanyl-poly(glycerolphosphate)</metabolite_name><metabolite_name>Myxalamid S</metabolite_name><metabolite_name>1-O-trans-Cinnamoyl-beta-D-glucopyranose</metabolite_name><metabolite_name>4-(1,1,3,3-Tetramethylbutyl)-phenol</metabolite_name><metabolite_name>3-Oxoadipic acid</metabolite_name><metabolite_name>PS(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>Pantothenic acid</metabolite_name><metabolite_name>PE-NMe2(18:0/22:4(7Z,10Z,13Z,16Z))</metabolite_name><metabolite_name>D-Pyroglutamic acid</metabolite_name><metabolite_name>D-Lyxose</metabolite_name><metabolite_name>dihydromonacolin L acid</metabolite_name><metabolite_name>Glyceraldehyde</metabolite_name><metabolite_name>Glycochenodeoxycholic acid 7-sulfate</metabolite_name><metabolite_name>Ursocholic acid</metabolite_name><metabolite_name>2-(Methylthio)pyrazine</metabolite_name><metabolite_name>Xanthurenic acid</metabolite_name><metabolite_name>Indoleacetaldehyde</metabolite_name><metabolite_name>Chlorimuron</metabolite_name><metabolite_name>Dimethisterone</metabolite_name><metabolite_name>Acetylglycine</metabolite_name><metabolite_name>PS(20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>Maleimide</metabolite_name><metabolite_name>3-Furoic acid</metabolite_name><metabolite_name>3-tert-Butyl-4-hydroxyanisole</metabolite_name><metabolite_name>Prostaglandin D3</metabolite_name><metabolite_name>Mosinone A</metabolite_name><metabolite_name>4-Hydroxyquinoline</metabolite_name><metabolite_name>Rhamnose</metabolite_name><metabolite_name>1,3-Benzenediol</metabolite_name><metabolite_name>Amyl propyl ketone</metabolite_name><metabolite_name>N-Palmitoyl Taurine</metabolite_name><metabolite_name>Norambreinolide</metabolite_name><metabolite_name>(1R,8S,9S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one</metabolite_name><metabolite_name>3-Hydroxybenzoic acid</metabolite_name><metabolite_name>Ibotenic acid</metabolite_name><metabolite_name>Fusidic acid</metabolite_name><metabolite_name>Contignasterol</metabolite_name><metabolite_name>FFA(16:0)</metabolite_name><metabolite_name>2,2'-Dipyridylamine</metabolite_name><metabolite_name>2-Hydroxyibuprofen</metabolite_name><metabolite_name>Isocitric acid</metabolite_name><metabolite_name>Monomethyl fumarate</metabolite_name><metabolite_name>8-Geranylumbelliferone</metabolite_name><metabolite_name>Sulfoglycolithocholic acid</metabolite_name><metabolite_name>LPE(0:0/18:2)</metabolite_name><metabolite_name>Dihydroferulic acid</metabolite_name><metabolite_name>Tagatose</metabolite_name><metabolite_name>9'-Carboxy-alpha-chromanol</metabolite_name><metabolite_name>Tri-trans,poly-cis-undecaprenyl diphosphate</metabolite_name><metabolite_name>Uric acid</metabolite_name><metabolite_name>(2S)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one</metabolite_name><metabolite_name>FFA(16:1)</metabolite_name><metabolite_name>Eupatilin</metabolite_name><metabolite_name>Digalacturonate</metabolite_name><metabolite_name>Triamcinolone</metabolite_name><metabolite_name>1-Eicosanoyl-2-docosanoyl-glycero-3-phosphoserine</metabolite_name><metabolite_name>3-Hydroxybutyric acid</metabolite_name><metabolite_name>L-Phenylalanine</metabolite_name><metabolite_name>(R)-Dihydromaleimide</metabolite_name><metabolite_name>Unii-yxj027jnd6</metabolite_name><metabolite_name>D-Quinovose</metabolite_name><metabolite_name>3,4-Dihydroxybenzeneacetic acid</metabolite_name><metabolite_name>Tetradecanedioic acid</metabolite_name><metabolite_name>Traumatic acid</metabolite_name><metabolite_name>Docosahexaenoic acid</metabolite_name><metabolite_name>Erythritol</metabolite_name><metabolite_name>Chloroacetaldehyde</metabolite_name><metabolite_name>1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>2-(Acetamidomethylidene)succinic acid</metabolite_name><metabolite_name>(R)-2-Oxo-3-methylpentanoate</metabolite_name><metabolite_name>Cerberin</metabolite_name><metabolite_name>2-Ketobutyric acid</metabolite_name><metabolite_name>N-Undecanoylglycine</metabolite_name><metabolite_name>[(2R)-1-pentadecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-tetracos-15-enoate</metabolite_name><metabolite_name>PS(20:0/22:5(7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>Acetaminophen</metabolite_name><metabolite_name>Phenylethylmalonamide</metabolite_name><metabolite_name>2-Methylcyclododecanone</metabolite_name><metabolite_name>Arsenic acid</metabolite_name><metabolite_name>(+)-trans-Chrysanthemic acid</metabolite_name><metabolite_name>Tyrosylleucine</metabolite_name><metabolite_name>(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid</metabolite_name><metabolite_name>Succinic anhydride</metabolite_name><metabolite_name>2-Methyl-1-propenethiol</metabolite_name><metabolite_name>5-Bromopyrimidine</metabolite_name><metabolite_name>Stramonin B</metabolite_name><metabolite_name>1-(1Z-octadecenyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>Apigenin 7,4'-dimethyl ether</metabolite_name><metabolite_name>Thiourea</metabolite_name><metabolite_name>1,2-Diacylglycerol-LD-PI-pool</metabolite_name><metabolite_name>LPC(16:0/0:0)</metabolite_name><metabolite_name>PE-NMe2(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))</metabolite_name><metabolite_name>Spinoside A</metabolite_name><metabolite_name>LPA(18:2(9Z,12Z)/0:0)</metabolite_name><metabolite_name>Petroselinic acid</metabolite_name><metabolite_name>Glu-Val</metabolite_name><metabolite_name>Xanthosine</metabolite_name><metabolite_name>(20S)-20-Hydroxypregn-4-en-3-one</metabolite_name><metabolite_name>Citric acid</metabolite_name><metabolite_name>Tyrphostin A25</metabolite_name><metabolite_name>Bilastine</metabolite_name><metabolite_name>3-Hydroxy-3-methyloxindole</metabolite_name><metabolite_name>¦Á-Ketoglutaric Acid (¦Á-KG)</metabolite_name><metabolite_name>Maleamic acid</metabolite_name><metabolite_name>FFA(14:0)</metabolite_name><metabolite_name>Benzeneacetonitrile</metabolite_name><metabolite_name>5-O-phosphono-alpha-D-ribofuranose</metabolite_name><metabolite_name>Tauroursodeoxycholic acid</metabolite_name><metabolite_name>Glycocholic acid</metabolite_name><metabolite_name>Zingerone</metabolite_name><metabolite_name>N-Acetylimidazole</metabolite_name><metabolite_name>2'-Deoxyuridine</metabolite_name><metabolite_name>2,7-Dihydroxy-5-methyl-1-naphthoic acid</metabolite_name><metabolite_name>8-Hydroxy-7-methoxycoumarin</metabolite_name><metabolite_name>Indole-3-carboxaldehyde</metabolite_name><metabolite_name>Stearic acid</metabolite_name><metabolite_name>1-(9Z,12Z-octadecadienoyl)-2-pentadecanoyl-glycero-3-phosphocholine</metabolite_name><metabolite_name>D-Cysteine</metabolite_name><metabolite_name>PS(20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>Cinnamoylglycine</metabolite_name><metabolite_name>1,1-Dichloroethane</metabolite_name><metabolite_name>Polymannose</metabolite_name><metabolite_name>Hydroquinone</metabolite_name><metabolite_name>Lycodine</metabolite_name><metabolite_name>1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol</metabolite_name><metabolite_name>Monobutyl phthalate</metabolite_name><metabolite_name>(R)-3,7-Dimethyl-1,6-octadien-3-ol</metabolite_name><metabolite_name>Taurochenodeoxycholic acid</metabolite_name><metabolite_name>PE-NMe(18:1(9Z)/18:1(9Z))</metabolite_name><metabolite_name>Practolol</metabolite_name><metabolite_name>Agroclavine</metabolite_name><metabolite_name>Alpha-Ketooctanoic acid</metabolite_name><metabolite_name>12-Oxo-2,3-dinor-10,15-phytodienoic acid</metabolite_name><metabolite_name>Propylthiouracil</metabolite_name><metabolite_name>1,3-Dimethyl-8-isoquinolinol</metabolite_name><metabolite_name>Dehydrochorismic acid</metabolite_name><metabolite_name>trans-2-Hexenyl acetate</metabolite_name><metabolite_name>Chlorpropamide</metabolite_name><metabolite_name>Phosphatidylserine</metabolite_name><metabolite_name>4-Carboxypyrazole</metabolite_name><metabolite_name>8-Desoxygartanin</metabolite_name><metabolite_name>HSO3-</metabolite_name><metabolite_name>Chloroform</metabolite_name><metabolite_name>Gramine</metabolite_name><metabolite_name>13,16,19-Docosatrienoic acid</metabolite_name><metabolite_name>Phenol glucuronide</metabolite_name><metabolite_name>3-Oxopentanoic acid</metabolite_name><metabolite_name>N-Feruloylaspartic acid</metabolite_name><metabolite_name>(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein)</metabolite_name><metabolite_name>Pelargonic acid</metabolite_name><metabolite_name>DL-Leucine</metabolite_name><metabolite_name>PS(22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>LPE(0:0/16:1)</metabolite_name><metabolite_name>Maltol</metabolite_name><metabolite_name>Sarcosine</metabolite_name><metabolite_name>1-Octenylsuccinic anhydride</metabolite_name><metabolite_name>Kikkanol A</metabolite_name><metabolite_name>Sorbitol</metabolite_name><metabolite_name>Taurine</metabolite_name><metabolite_name>6-[4-(1-carboxyethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</metabolite_name><metabolite_name>Hydrocinnamic acid</metabolite_name><metabolite_name>3-Fluoro-D-alanine</metabolite_name><metabolite_name>p-Cresol sulfate</metabolite_name><metabolite_name>4-Fluoro-2-(trifluoromethyl)aniline</metabolite_name><metabolite_name>Talinolol</metabolite_name><metabolite_name>2-Hydroxybenzaldehyde</metabolite_name><metabolite_name>3-(7-hydroxy-5-methoxy-2,2-dimethyl-2H-chromen-6-yl)-1-phenylprop-2-en-1-one</metabolite_name><metabolite_name>L-Threonine</metabolite_name><metabolite_name>Nelfinavir</metabolite_name><metabolite_name>PE-NMe2(18:1(9Z)/22:4(7Z,10Z,13Z,16Z))</metabolite_name><metabolite_name>3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone</metabolite_name><metabolite_name>8-Amino-7-oxononanoic acid</metabolite_name><metabolite_name>Cyclododecanone</metabolite_name><metabolite_name>Hydroxyvalerenic Acid</metabolite_name><metabolite_name>Dapsone hydroxylamine</metabolite_name><metabolite_name>Myristoleic acid</metabolite_name><metabolite_name>L-Leucine</metabolite_name><metabolite_name>Benzenesulfonic acid, undecyl-</metabolite_name><metabolite_name>Yuzu-Lactone</metabolite_name><metabolite_name>N-Acetyl-D-glucosamine</metabolite_name><metabolite_name>Iriomoteolide 1a</metabolite_name><metabolite_name>3-Azaniumyl-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate</metabolite_name><metabolite_name>3,4-Dimethyl-1,2-cyclopentanedione</metabolite_name><metabolite_name>trans-Vaccenic acid</metabolite_name><metabolite_name>12-PAHSA</metabolite_name><metabolite_name>9-Methylxanthine</metabolite_name><metabolite_name>4-Chlorophenol</metabolite_name><metabolite_name>Sarcostin</metabolite_name><metabolite_name>3-Hydroxydodecanoic acid</metabolite_name><metabolite_name>Succinimide</metabolite_name><metabolite_name>9(S)-HpODE</metabolite_name><metabolite_name>9-Fluorenone</metabolite_name><metabolite_name>Imiquimod</metabolite_name><metabolite_name>Pyrrole-2-carboxylic acid</metabolite_name><metabolite_name>9,10-EpOME</metabolite_name><metabolite_name>Saran</metabolite_name><metabolite_name>1,1-Dimethoxynonane</metabolite_name><metabolite_name>cis,cis-Muconic acid</metabolite_name><metabolite_name>Ammelide</metabolite_name><metabolite_name>3-(N-Nitrosomethylamino)propionitrile</metabolite_name><metabolite_name>L-Tryptophan</metabolite_name><metabolite_name>LPC(15:0/0:0)</metabolite_name><metabolite_name>2,3,6-Trichlorobenzoic acid</metabolite_name><metabolite_name>Isopropylcyclohexane</metabolite_name><metabolite_name>4-Hydroxycrotonic acid</metabolite_name><metabolite_name>Tamarixetin</metabolite_name><metabolite_name>LPA(i-20:0/0:0)</metabolite_name><metabolite_name>Epiandrosterone</metabolite_name><metabolite_name>3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1H-2-benzopyran-1-one</metabolite_name><metabolite_name>Bitocholic acid</metabolite_name><metabolite_name>FFA(22:5)</metabolite_name><metabolite_name>8,15-Dihete</metabolite_name><metabolite_name>Eicosadienoic acid</metabolite_name><metabolite_name>Hydroxychlor</metabolite_name><metabolite_name>Eicosapentaenoic acid</metabolite_name><metabolite_name>Uracil</metabolite_name><metabolite_name>Tryptamine</metabolite_name><metabolite_name>LPA(20:2(11Z,14Z)/0:0)</metabolite_name><metabolite_name>8,9-Epoxyeicosatrienoic acid</metabolite_name><metabolite_name>1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>3-Methylbenzaldehyde</metabolite_name><metabolite_name>1-Palmitoyl-2-(1-enyl-stearoyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Sphingosine 1-phosphate</metabolite_name><metabolite_name>(2S)-2-phenyl-2-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile</metabolite_name><metabolite_name>9-Oxo-nonanoic acid</metabolite_name><metabolite_name>Glucosereductone</metabolite_name><metabolite_name>Behenic acid</metabolite_name><metabolite_name>Caracurine V</metabolite_name><metabolite_name>6-({5,13-dihydroxy-9-oxo-8,17-dioxatetracyclo[8.7.0.0(2),.0(1)(1),(1)]heptadeca-1(10),2(7),3,5,11,13,15-heptaen-14-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid</metabolite_name><metabolite_name>Pubescenol</metabolite_name><metabolite_name>2-Mercaptoethanesulfonic acid</metabolite_name><metabolite_name>1,3-Dinitropyrene</metabolite_name><metabolite_name>5-Methylthiazole</metabolite_name><metabolite_name>4-Hydroxymandelonitrile</metabolite_name><metabolite_name>12-Ketolithocholic acid</metabolite_name><metabolite_name>2-Hydroxy-2,6,6-trimethylcyclohexanone</metabolite_name><metabolite_name>1-Oleoyl-2-palmitoleoyl-sn-glycerol</metabolite_name><metabolite_name>13-Methyloxacyclotetradecan-2-one</metabolite_name><metabolite_name>Hydroxyquinoline</metabolite_name><metabolite_name>3-carboxy-2,3-dihydroxypropanoate</metabolite_name><metabolite_name>Chloroacetyl chloride</metabolite_name><metabolite_name>Paraxanthine</metabolite_name><metabolite_name>(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one</metabolite_name><metabolite_name>(¡À)5-HETE</metabolite_name><metabolite_name>6-Undecanone</metabolite_name><metabolite_name>Acetic acid</metabolite_name><metabolite_name>Adipic acid</metabolite_name><metabolite_name>(17alpha,23S)-Epoxy-28,29-dihydroxy-27-norlanost-8-ene-3,24-dione</metabolite_name><metabolite_name>Adrenic acid</metabolite_name><metabolite_name>N-Methyl-a-aminoisobutyric acid</metabolite_name><metabolite_name>2-Methoxyhydroquinone</metabolite_name><metabolite_name>(-)-9,10-Dihydrojasmonic acid</metabolite_name><metabolite_name>2-Pyridinemethanethiol</metabolite_name><metabolite_name>Halofenozide</metabolite_name><metabolite_name>PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))</metabolite_name><metabolite_name>LPC(18:0/0:0)</metabolite_name><metabolite_name>PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))</metabolite_name><metabolite_name>2-Methyl-3-hexanone</metabolite_name><metabolite_name>Methylgingerol</metabolite_name><metabolite_name>L-Glutamic acid</metabolite_name><metabolite_name>2-Methyl-3-hydroxybutyric acid</metabolite_name><metabolite_name>L-Homocystine</metabolite_name><metabolite_name>Canrenone</metabolite_name><metabolite_name>3,4-Methyleneadipic acid</metabolite_name><metabolite_name>11-Dodecenoic acid</metabolite_name><metabolite_name>2-Octanamidoacetic acid</metabolite_name><metabolite_name>PE-NMe(20:3(5Z,8Z,11Z)/15:0)</metabolite_name><metabolite_name>Fructose</metabolite_name><metabolite_name>prostaglandin B2</metabolite_name><metabolite_name>PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))</metabolite_name><metabolite_name>12-HOME</metabolite_name><metabolite_name>Heptadecanoic acid</metabolite_name><metabolite_name>1,3-Dihydroimidazol-2-one</metabolite_name><metabolite_name>Dimethylglycine</metabolite_name><metabolite_name>Terpendole E</metabolite_name><metabolite_name>12-Oxo-phytodienoic acid</metabolite_name><metabolite_name>N-Acetyl-L-phenylalanine</metabolite_name><metabolite_name>FFA(10:0)</metabolite_name><metabolite_name>Alginic acid</metabolite_name><metabolite_name>Mollicellin I</metabolite_name><metabolite_name>2-Heptenal</metabolite_name><metabolite_name>Monoethyl malonic acid</metabolite_name><metabolite_name>Pteridine</metabolite_name><metabolite_name>14,15-Leukotriene C4(ExC4)</metabolite_name><metabolite_name>3-Hydroxyglutaric acid</metabolite_name><metabolite_name>Histidine</metabolite_name><metabolite_name>16-Hydroxyhexadecanoic acid</metabolite_name><metabolite_name>Prehumulinic acid</metabolite_name><metabolite_name>1-Eicosanoyl-glycero-3-phospho-(1'-myo-inositol)</metabolite_name><metabolite_name>3,5-Dihydroxybenzoic acid</metabolite_name><metabolite_name>4-Hydroxycinnamic acid</metabolite_name><metabolite_name>Trichloroacetic acid</metabolite_name><metabolite_name>3-Oxodecanoic acid</metabolite_name><metabolite_name>Glycerol Tributyrate</metabolite_name><metabolite_name>D-Kynurenine</metabolite_name><metabolite_name>Nervonic acid</metabolite_name><metabolite_name>3,4,5-trihydroxy-6-{[7-methoxy-4-oxo-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-5-yl]oxy}oxane-2-carboxylic acid</metabolite_name><metabolite_name>1-(1Z-Octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>12-Hydroxydodecanoic acid</metabolite_name><metabolite_name>5,6-DHET</metabolite_name><metabolite_name>Nalidixic acid</metabolite_name><metabolite_name>Melezitose</metabolite_name><metabolite_name>L-Gulonolactone</metabolite_name><metabolite_name>1-Chloro-2-methylpropene</metabolite_name><metabolite_name>Cysteinylglycine</metabolite_name><metabolite_name>1-stearoyl-sn-glycero-3-phospho-1D-myo-inositol</metabolite_name><metabolite_name>3-Methylglutaric acid</metabolite_name><metabolite_name>PE-NMe(16:0/16:0)</metabolite_name><metabolite_name>Ethionamide</metabolite_name><metabolite_name>(2S)-2-amino-3-[hydroxy-[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid</metabolite_name><metabolite_name>12S-HHT</metabolite_name><metabolite_name>Succinic acid semialdehyde</metabolite_name><metabolite_name>8-Chlorotheophylline</metabolite_name><metabolite_name>9-Decenoic acid</metabolite_name><metabolite_name>14,15-Epoxyeicosa-5z-enoic acid</metabolite_name><metabolite_name>4-Hydroxy-3-methylbenzoic acid</metabolite_name><metabolite_name>3-Hydroxyoctanoic acid</metabolite_name><metabolite_name>N-methyl-4-aminobutyric acid</metabolite_name><metabolite_name>Hydroxyphenyllactic acid</metabolite_name><metabolite_name>N,N¡ä-dicyclohexylcarbodiimide</metabolite_name><metabolite_name>2-Methylguanosine</metabolite_name><metabolite_name>Levulinic acid</metabolite_name><metabolite_name>N-Lactoylisoleucine</metabolite_name><metabolite_name>{[4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl]oxy}sulfonic acid</metabolite_name><metabolite_name>Marmesin</metabolite_name><metabolite_name>PS(22:0/20:3(8Z,11Z,14Z))</metabolite_name><metabolite_name>2-n-Propyl-4-oxopentanoic acid</metabolite_name><metabolite_name>1-Stearoylglycerophosphoserine</metabolite_name><metabolite_name>Dichlorprop-P</metabolite_name><metabolite_name>Bromomethane</metabolite_name><metabolite_name>Caryoptin</metabolite_name><metabolite_name>Tyrphostin 23</metabolite_name><metabolite_name>L-Isoleucine</metabolite_name><metabolite_name>1,3,5-Trichloro-2-methoxybenzene</metabolite_name><metabolite_name>FFA(19:1)</metabolite_name><metabolite_name>2-Hydroxy-3-isopropylsuccinic acid</metabolite_name><metabolite_name>LPE(0:0/20:3)</metabolite_name><metabolite_name>2-hydroxyacrylic Acid</metabolite_name><metabolite_name>(+)-phytocassane E</metabolite_name><metabolite_name>1-Methyl-3-(2-methyl-2-propenyl)-cyclopentane</metabolite_name><metabolite_name>7-Methylxanthine</metabolite_name><metabolite_name>Indoxyl sulfate</metabolite_name><metabolite_name>13-Tetradecanolide</metabolite_name><metabolite_name>3-(Methylthio)thiophene</metabolite_name><metabolite_name>Undecanedioic acid</metabolite_name><metabolite_name>Methylselenocysteine Se-oxide</metabolite_name><metabolite_name>Phenobarbital</metabolite_name><metabolite_name>2-Mercaptobenzothiazole</metabolite_name><metabolite_name>2-Hydroxy-2-methylbutyric acid</metabolite_name><metabolite_name>L-Aspartic acid</metabolite_name><metabolite_name>Sedoheptulose</metabolite_name><metabolite_name>2,3-Dihydrothiophene</metabolite_name><metabolite_name>Carvacrol</metabolite_name><metabolite_name>3,4-Dihydroxyhydrocinnamic acid</metabolite_name><metabolite_name>Pentadec-3-enal</metabolite_name><metabolite_name>L-3-Phenyllactic acid</metabolite_name><metabolite_name>4-Hydroxyphenylpyruvic acid</metabolite_name><metabolite_name>p-Cresol</metabolite_name><metabolite_name>2-Hydroxymyristic acid</metabolite_name><metabolite_name>Indolmycin</metabolite_name><metabolite_name>Hexadecenoic acid</metabolite_name><metabolite_name>DL-Glutamine</metabolite_name><metabolite_name>Glycolaldehyde</metabolite_name><metabolite_name>Homodihydrojasmone</metabolite_name><metabolite_name>10-Hydroxy-8-nor-2-fenchanone glucoside</metabolite_name><metabolite_name>Indole-3-carboxylic acid</metabolite_name><metabolite_name>Xylitol</metabolite_name><metabolite_name>Cyclohexanecarboxylic acid</metabolite_name><metabolite_name>Neogrifolin</metabolite_name><metabolite_name>1,5-Diphenylcarbazide</metabolite_name><metabolite_name>1-Heptadecanoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol</metabolite_name><metabolite_name>prostaglandin J2</metabolite_name><metabolite_name>2,3-Dimercaptosuccinic acid</metabolite_name><metabolite_name>Methylmalonic Acid</metabolite_name><metabolite_name>1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>N-Isovaleroylglycine</metabolite_name><metabolite_name>D-Tartaric acid</metabolite_name><metabolite_name>Isoguvacine</metabolite_name><metabolite_name>2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol</metabolite_name><metabolite_name>2-Acetamido-3-methylbutanoic acid</metabolite_name><metabolite_name>PS(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z))</metabolite_name><metabolite_name>Glu-Leu</metabolite_name><metabolite_name>11-Oxohexadecanoic acid</metabolite_name><metabolite_name>Hexanoylglycine</metabolite_name><metabolite_name>2-Methylbenzoic acid</metabolite_name><metabolite_name>PS(20:4(8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))</metabolite_name><metabolite_name>Hydroxyflutamide</metabolite_name><metabolite_name>Harman</metabolite_name><metabolite_name>Fucoxanthin</metabolite_name><metabolite_name>Medica 16</metabolite_name><metabolite_name>3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide</metabolite_name><metabolite_name>1,2-Didecanoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>1-Methylxanthine</metabolite_name><metabolite_name>Phenol</metabolite_name><metabolite_name>1-beta-D-Galactosylsphingosine</metabolite_name><metabolite_name>PE-NMe(20:0/24:1(15Z))</metabolite_name><metabolite_name>PS(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>LPA(20:4(8Z,11Z,14Z,17Z)/0:0)</metabolite_name><metabolite_name>[2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate</metabolite_name><metabolite_name>Glutaric acid</metabolite_name><metabolite_name>Sclareol</metabolite_name><metabolite_name>2-Hydroxycineol</metabolite_name><metabolite_name>Geraniol</metabolite_name><metabolite_name>exo,exo-1,8-Epoxy-p-menthane-2,6-diol</metabolite_name><metabolite_name>Monoethyl carbonate</metabolite_name><metabolite_name>2-Ethyl-2-Hydroxybutyric acid</metabolite_name><metabolite_name>LPE(18:1/0:0)</metabolite_name><metabolite_name>[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] 10-methyldodecanoate</metabolite_name><metabolite_name>Methylthiouracil</metabolite_name><metabolite_name>Isovaleric acid</metabolite_name><metabolite_name>3-Hydroxydecanoic acid</metabolite_name><metabolite_name>2'-Hydroxyacetophenone</metabolite_name><metabolite_name>DL-Proline</metabolite_name><metabolite_name>Myricetin</metabolite_name><metabolite_name>3,4,5-trihydroxy-6-[2-methoxy-5-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]oxane-2-carboxylic acid</metabolite_name><metabolite_name>4-Methoxycinnamic acid</metabolite_name><metabolite_name>Oleoyltaurine</metabolite_name><metabolite_name>PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0)</metabolite_name><metabolite_name>3-Methylxanthine</metabolite_name><metabolite_name>Gentioflavine</metabolite_name><metabolite_name>Keto-Deoxy-Nonulonic acid</metabolite_name><metabolite_name>Glyceric acid</metabolite_name><metabolite_name>1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>PE-NMe2(20:2(11Z,14Z)/14:1(9Z))</metabolite_name><metabolite_name>Hexadecanedioic acid</metabolite_name><metabolite_name>Helenalin</metabolite_name><metabolite_name>Valeraldehyde dibutyl acetal</metabolite_name><metabolite_name>D6-Ambrettolide</metabolite_name><metabolite_name>2-Indolecarboxylic acid</metabolite_name><metabolite_name>trans-trans-Muconic acid</metabolite_name><metabolite_name>Uridine</metabolite_name><metabolite_name>LPE(20:4/0:0)</metabolite_name><metabolite_name>Streptozocin</metabolite_name><metabolite_name>Imidazole-4-acetaldehyde</metabolite_name><metabolite_name>1-Acetyl-2-methylcyclopentene</metabolite_name><metabolite_name>[(1S,4aS,7S,7aR)-4-(acetyloxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate</metabolite_name><metabolite_name>3-Hydroxymethylglutaric acid</metabolite_name><metabolite_name>2-Acetamidophenol</metabolite_name><metabolite_name>Liquiritin</metabolite_name><metabolite_name>1,2-Dichloroethane</metabolite_name><metabolite_name>N-Methyltryptamine</metabolite_name><metabolite_name>1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>2-Hydroxy-3-(sulfooxy)benzoic acid</metabolite_name><metabolite_name>Glycoursodeoxycholic acid</metabolite_name><metabolite_name>Phosphoroselenoic acid</metabolite_name><metabolite_name>2,4-Dihydroxyhept-2-enedioic acid</metabolite_name><metabolite_name>Tetracosahexaenoic acid, n-3</metabolite_name><metabolite_name>2-Fluorobenzoic acid</metabolite_name><metabolite_name>Homogentisic acid</metabolite_name><metabolite_name>Dihydro-2(3H)-thiophenone</metabolite_name><metabolite_name>L-Tyrosine</metabolite_name><metabolite_name>PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)</metabolite_name><metabolite_name>Dihydroconiferyl alcohol</metabolite_name><metabolite_name>Hypotaurine</metabolite_name><metabolite_name>Prostratin</metabolite_name><metabolite_name>PC(16:0/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>4-Oxo-4-(pyridin-3-yl)butanoic acid</metabolite_name><metabolite_name>2,4,6-Trinitrotoluene</metabolite_name><metabolite_name>2-Methyl-1,3-cyclohexadiene</metabolite_name><metabolite_name>Phosfolan</metabolite_name><metabolite_name>2-Oleoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>lipid X</metabolite_name><metabolite_name>Pterin-6-carboxylic acid</metabolite_name><metabolite_name>4-Trimethylammoniobutanoic acid</metabolite_name><metabolite_name>Triclofos</metabolite_name><metabolite_name>10,11-Epoxy-3-geranylgeranylindole</metabolite_name><metabolite_name>2-Pyrocatechuic acid</metabolite_name><metabolite_name>Cortexolone</metabolite_name><metabolite_name>2-Acetylpyridine</metabolite_name><metabolite_name>2,5-Dihydroxybenzaldehyde</metabolite_name><metabolite_name>Indole-5,6-quinone</metabolite_name><metabolite_name>1-Myristoyl-2-stearoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>LPC(0:0/16:0)</metabolite_name><metabolite_name>Taurocholic acid</metabolite_name><metabolite_name>Asulam</metabolite_name><metabolite_name>2-Dodecylbenzenesulfonic acid</metabolite_name><metabolite_name>4-Cyanopyridine</metabolite_name><metabolite_name>Hydroxyclomipramine glucuronide</metabolite_name><metabolite_name>1,3-Dimethyluric acid</metabolite_name><metabolite_name>PS(20:3(8Z,11Z,14Z)/20:4(8Z,11Z,14Z,17Z))</metabolite_name><metabolite_name>LPE(18:0/0:0)</metabolite_name><metabolite_name>PE-NMe2(18:0/18:2(9Z,12Z))</metabolite_name><metabolite_name>LPS(18:2)</metabolite_name><metabolite_name>4-ene-Valproic acid</metabolite_name><metabolite_name>Potassium bicarbonate</metabolite_name><metabolite_name>Psicose</metabolite_name><metabolite_name>Methyloxirane</metabolite_name><metabolite_name>2,4-Dichlorobenzoic acid</metabolite_name><metabolite_name>PS(22:4(7Z,10Z,13Z,16Z)/18:3(9Z,12Z,15Z))</metabolite_name><metabolite_name>Suberic acid</metabolite_name><metabolite_name>5-Hydroxyindoleacetaldehyde</metabolite_name><metabolite_name>Acetylsalicylic acid</metabolite_name><metabolite_name>1-(9Z-octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho-N,N-dimethylethanolamine</metabolite_name><metabolite_name>trans,octacis-decaprenylphospho-beta-D-ribofuranose</metabolite_name><metabolite_name>Astemizole</metabolite_name><metabolite_name>4-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-[5-[(2R,3S)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-hydroxy-3-methoxyphenyl]-6-methoxyphenol</metabolite_name><metabolite_name>Icaceine</metabolite_name><metabolite_name>Prunasin</metabolite_name><metabolite_name>PE-NMe2(16:0/18:3(9Z,12Z,15Z))</metabolite_name><metabolite_name>Creatinine</metabolite_name><metabolite_name>PS(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>PE-NMe2(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))</metabolite_name><metabolite_name>Farnesyl phosphate</metabolite_name><metabolite_name>1-(1Z-octadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)</metabolite_name><metabolite_name>(S)-3,7-Dimethyl-1,6-octadiene</metabolite_name><metabolite_name>Pimelic acid</metabolite_name><metabolite_name>cis-7-Hexadecenoic acid</metabolite_name><metabolite_name>3-(3,4,5-Trimethoxyphenyl)propanoic acid</metabolite_name><metabolite_name>PE-NMe2(16:0/16:1(9Z))</metabolite_name><metabolite_name>Lpa(0:0/18:2(9Z,12Z))</metabolite_name><metabolite_name>1-(9Z-hexadecenoyl)-2-tetradecanoyl-glycero-3-phosphate</metabolite_name><metabolite_name>Glycolithocholic acid</metabolite_name><metabolite_name>N-Acetylleucine</metabolite_name><metabolite_name>beta-Tocotrienol</metabolite_name><metabolite_name>1,4-Cineole</metabolite_name><metabolite_name>12-(9Z-hexadecenoyloxy)-octadecanoic acid</metabolite_name><metabolite_name>Gamma-Mercholic Acid</metabolite_name><metabolite_name>3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid</metabolite_name><metabolite_name>14,19-Dihydroaspidospermatine</metabolite_name><metabolite_name>Tiglic acid</metabolite_name><metabolite_name>1-pentadecanoyl-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphate</metabolite_name><metabolite_name>2-(2-Aminoethyl)pyridine</metabolite_name><metabolite_name>3-Methoxy-4-hydroxyphenylglycol sulfate</metabolite_name><metabolite_name>2-ethyl-2-hydroxy-3-oxobutanoate</metabolite_name><metabolite_name>Hydroprene</metabolite_name><metabolite_name>2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid</metabolite_name><metabolite_name>Itaconic acid</metabolite_name><metabolite_name>4-Formyl-2-methoxyphenyl acetate</metabolite_name><metabolite_name>L-Alanine</metabolite_name><metabolite_name>N-Methylhydantoin</metabolite_name><metabolite_name>Jasmonic acid</metabolite_name><metabolite_name>Norethindrone acetate</metabolite_name><metabolite_name>N-Phenyl-2-naphthylamine</metabolite_name><metabolite_name>2-Propylthiophene</metabolite_name><metabolite_name>All-trans-heptaprenyl diphosphate</metabolite_name><metabolite_name>PC(18:0/18:2)</metabolite_name><metabolite_name>1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>1-Stearoyl-2-oleoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>13(S)-Hydroperoxylinolenic acid</metabolite_name><metabolite_name>1-(4-Hydroxy-3-methoxyphenyl)-3-decanone</metabolite_name><metabolite_name>Atorvastatin</metabolite_name><metabolite_name>L-Lysine</metabolite_name><metabolite_name>[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] tetradecanoate</metabolite_name><metabolite_name>S-(2-aminoethyl)cysteine</metabolite_name><metabolite_name>Suxibuzone</metabolite_name><metabolite_name>prostaglandin G2 2-glyceryl ester</metabolite_name><metabolite_name>3-Hydroxyisovaleric acid</metabolite_name><metabolite_name>Hydrocortisone</metabolite_name><metabolite_name>Dodecanoic acid</metabolite_name><metabolite_name>1-Nonene</metabolite_name><metabolite_name>10-Hydroxydecanoic acid</metabolite_name><metabolite_name>Grifolin</metabolite_name><metabolite_name>Tris(2-butoxyethyl) phosphate</metabolite_name><metabolite_name>Phytolaccasaponin G</metabolite_name><metabolite_name>4-Methylvaleric Acid</metabolite_name><metabolite_name>5beta-Cholanic acid</metabolite_name><metabolite_name>5-Oxo-4,5-dihydro-2-furylacetic acid</metabolite_name><metabolite_name>Cadusafos</metabolite_name><metabolite_name>[2-(Dimethoxymethyl)-1-heptenyl]benzene</metabolite_name><metabolite_name>Piperalol</metabolite_name><metabolite_name>Threoninyl-Cysteine</metabolite_name><metabolite_name>2-Carboxy-5,7-dimethyl-4-octanolide</metabolite_name><metabolite_name>D-Ribulose 1,5-bisphosphate</metabolite_name><metabolite_name>Hyodeoxycholic acid</metabolite_name><metabolite_name>Cyanophos</metabolite_name><metabolite_name>Butylated hydroxytoluene</metabolite_name><metabolite_name>Rosiglitazone</metabolite_name><metabolite_name>Lactic acid</metabolite_name><metabolite_name>(2S)-2-amino-3-[hydroxy-[(2R)-2-tetracosanoyloxy-3-tetradecanoyloxypropoxy]phosphoryl]oxypropanoic acid</metabolite_name><metabolite_name>3-Chloro-2-methylpropene</metabolite_name><metabolite_name>Dichlorprop</metabolite_name><metabolite_name>1,4-Cyclohexanedione</metabolite_name><metabolite_name>D-Fructose</metabolite_name><metabolite_name>9S-HOTrE</metabolite_name><metabolite_name>Embelin</metabolite_name><metabolite_name>Allantoin</metabolite_name><metabolite_name>PE-NMe(15:0/20:1(11Z))</metabolite_name><metabolite_name>3-hydroxy-3-(3-hydroxyphenyl)propanoic acid-O-sulphate</metabolite_name><metabolite_name>Formylanthranilic acid</metabolite_name><metabolite_name>(9Z,12S,13R)-12,13-Dihydroxy-9-octadecenoic acid</metabolite_name><metabolite_name>3-Mercapto-2-butanol</metabolite_name><metabolite_name>PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:0)</metabolite_name><metabolite_name>9(S)-HPODE</metabolite_name><metabolite_name>1,11-Undecanedicarboxylic acid</metabolite_name><metabolite_name>Cys-Tyr</metabolite_name><metabolite_name>LPC(O-16:0/2:0)</metabolite_name><metabolite_name>3-Indoleacrylic acid</metabolite_name><metabolite_name>Divinyl sulfide</metabolite_name><metabolite_name>rac-4-Hydroxy-4-O-(beta-D-glucuronide)-all-trans-retinyl acetate</metabolite_name><metabolite_name>2,8-Quinolinediol</metabolite_name><metabolite_name>Picrotin</metabolite_name><metabolite_name>Hydroxystilbamidine</metabolite_name><metabolite_name>Methionine</metabolite_name><metabolite_name>alpha-Ketoisovaleric acid</metabolite_name><metabolite_name>2,2,2-Trifluoroethanol</metabolite_name><metabolite_name>3-Hydroxynonyl acetate</metabolite_name><metabolite_name>Tyrosol</metabolite_name><metabolite_name>Gemfibrozil</metabolite_name><metabolite_name>[8]-Dehydrogingerdione</metabolite_name><metabolite_name>Rosmarinic acid</metabolite_name><metabolite_name>[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] 12-methyltetradecanoate</metabolite_name><metabolite_name>4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol</metabolite_name><metabolite_name>xi-3-Hydroxy-2-oxobutanoic acid</metabolite_name><metabolite_name>Cys-Cys</metabolite_name><metabolite_name>1,1-Bis(p-chlorophenyl)-2-chloroethane</metabolite_name><metabolite_name>3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid</metabolite_name><metabolite_name>L-Norleucine</metabolite_name><metabolite_name>Glycolic acid</metabolite_name><metabolite_name>Pentadecanoic acid</metabolite_name><metabolite_name>Sotalol</metabolite_name><metabolite_name>Psilocin</metabolite_name><metabolite_name>LPS(18:1/0:0)</metabolite_name><metabolite_name>1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Serotonin</metabolite_name><metabolite_name>p-Coumaraldehyde</metabolite_name><metabolite_name>Kojic acid</metabolite_name><metabolite_name>1-docosanoyl-2-(11Z,14Z-eicosadienoyl)-glycero-3-phosphoserine</metabolite_name><metabolite_name>3-[4-Methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid</metabolite_name><metabolite_name>Sciadonic acid</metabolite_name><metabolite_name>1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Indole-3-propionic acid</metabolite_name><metabolite_name>Ferimzone</metabolite_name><metabolite_name>3-Methyl-2-butenyl beta-D-glucopyranoside</metabolite_name><metabolite_name>5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene</metabolite_name><metabolite_name>1,2,3,4-Benzenetetrol</metabolite_name><metabolite_name>Dipalmitoyl phosphatidylinositol</metabolite_name><metabolite_name>Xanthotoxol</metabolite_name><metabolite_name>Bisnorcholic acid</metabolite_name><metabolite_name>Valerenic acid</metabolite_name><metabolite_name>1-Stearoyl-2-(1-enyl-palmitoyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>2-[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1,4-dihydronaphthalene-1,4-dione</metabolite_name><metabolite_name>2'-Deoxyuridine 5'-monophosphate</metabolite_name><metabolite_name>3-Hydroxytetradecanoic acid</metabolite_name><metabolite_name>Lovastatin acid</metabolite_name><metabolite_name>Isodonal</metabolite_name><metabolite_name>5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid</metabolite_name><metabolite_name>alpha-Hydroxyisobutyric acid</metabolite_name><metabolite_name>(1alpha,4alpha,5beta,6alpha,11betaH)-1,4-Epoxy-5-hydroxy-10(14)-germacren-12,6-olide</metabolite_name><metabolite_name>(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol</metabolite_name><metabolite_name>3,5-Dinitrocatechol</metabolite_name><metabolite_name>(¡À)12-HEPE</metabolite_name><metabolite_name>PA(18:2(9Z,12Z)/18:2(9Z,12Z))</metabolite_name><metabolite_name>Mephenytoin</metabolite_name><metabolite_name>Succinic acid</metabolite_name><metabolite_name>m-Chlorohippuric acid</metabolite_name><metabolite_name>16-Methylheptadecanoic acid</metabolite_name><metabolite_name>2,4-Dinitrophenol</metabolite_name><metabolite_name>Psilocybine</metabolite_name><metabolite_name>Methimazole</metabolite_name><metabolite_name>1,2-Dioleoyl-sn-Glycero-3-Phosphocholine</metabolite_name><metabolite_name>Nevirapine</metabolite_name><metabolite_name>Hippuric acid</metabolite_name><metabolite_name>PE(18:0/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>Notoginsenoside R1</metabolite_name><metabolite_name>Arabinose</metabolite_name><metabolite_name>1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate</metabolite_name><metabolite_name>Cibulins</metabolite_name><metabolite_name>Vernolic acid</metabolite_name><metabolite_name>Benzene oxide</metabolite_name><metabolite_name>Phenobenzuron</metabolite_name><metabolite_name>2-Chloro-1,1,1-trifluoroethane</metabolite_name><metabolite_name>Adenine</metabolite_name><metabolite_name>Austidiol</metabolite_name><metabolite_name>Oxoadipic acid</metabolite_name><metabolite_name>Isobutyric acid</metabolite_name><metabolite_name>D-Proline</metabolite_name><metabolite_name>4-Methylcyclohexanone</metabolite_name><metabolite_name>Isoxazolin-5-one</metabolite_name><metabolite_name>L-Serine</metabolite_name><metabolite_name>Purine</metabolite_name><metabolite_name>(6E,8R,10Z)-8-hydroxy-3-oxohexadecadienoic acid</metabolite_name><metabolite_name>6-Hydroxy-3,4-dihydro-2(1H)-quinolinone</metabolite_name><metabolite_name>Dioleoyl phosphatidylserine</metabolite_name><metabolite_name>Cholic acid glucuronide</metabolite_name><metabolite_name>Panthenol</metabolite_name><metabolite_name>Cholic acid</metabolite_name><metabolite_name>Arachidonic acid</metabolite_name><metabolite_name>PE-NMe2(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))</metabolite_name><metabolite_name>LPE(16:0/0:0)</metabolite_name><metabolite_name>1-Phenyl-1,3-hexadecanedione</metabolite_name><metabolite_name>Firefly luciferin</metabolite_name><metabolite_name>Erythorbic acid</metabolite_name><metabolite_name>1-Stearoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>Valylcysteine</metabolite_name><metabolite_name>Methyl 3-methyl-2-oxopentanoate</metabolite_name><metabolite_name>Caffeine</metabolite_name><metabolite_name>3'-Fucosyllactose</metabolite_name><metabolite_name>3-Hydroxybenzaldehyde</metabolite_name><metabolite_name>Allocholic acid</metabolite_name><metabolite_name>6-Aminopenicillanic acid</metabolite_name><metabolite_name>Moschamine</metabolite_name><metabolite_name>Valproic acid</metabolite_name><metabolite_name>Menadiol disulfate</metabolite_name><metabolite_name>(S)-14-Methylhexadecanoic acid</metabolite_name><metabolite_name>Dodecanal dimethyl acetal</metabolite_name><metabolite_name>4-Hydroxy-1H-indole-3-carboxylic acid</metabolite_name><metabolite_name>Pyronaridine</metabolite_name><metabolite_name>Meconic acid</metabolite_name><metabolite_name>(¡À)12-HETE</metabolite_name><metabolite_name>Sphinganine 1-phosphate</metabolite_name><metabolite_name>Threitol</metabolite_name><metabolite_name>Dioxindole</metabolite_name><metabolite_name>Theophylline</metabolite_name><metabolite_name>5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-4-methoxy-2-(3-methylbut-2-en-1-yl)benzene-1,3-diol</metabolite_name><metabolite_name>PS(18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))</metabolite_name><metabolite_name>Atractylenolide III</metabolite_name><metabolite_name>1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>7-Ketodeoxycholic acid</metabolite_name><metabolite_name>Acetylenedicarboxylic acid</metabolite_name><metabolite_name>PA(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))</metabolite_name><metabolite_name>Avocadene 4-acetate</metabolite_name><metabolite_name>bis(3-methylbut-2-en-1-yl)benzene-1,2,3,5-tetrol</metabolite_name><metabolite_name>(8Z,11Z,13E)-15-hydroxyicosa-8,11,13-trienoic acid</metabolite_name><metabolite_name>Pyroglutamic acid</metabolite_name><metabolite_name>Thyroxine</metabolite_name><metabolite_name>1,3,5-Trihydroxybenzene</metabolite_name><metabolite_name>3alpha-Hydroxy-5beta-pregnane-20-one sulfate</metabolite_name><metabolite_name>(¡À)-2,2,6-Trimethylcyclohexanone</metabolite_name><metabolite_name>Physagulin F</metabolite_name><metabolite_name>Botrydial</metabolite_name><metabolite_name>Dodecanedioic acid</metabolite_name><metabolite_name>(Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol</metabolite_name><metabolite_name>4-Imidazolone</metabolite_name><metabolite_name>Ethoxyacetic acid</metabolite_name><metabolite_name>L-glyceraldehyde</metabolite_name><metabolite_name>3-Hydroxyhexadecanoic acid</metabolite_name><metabolite_name>Gingerol</metabolite_name><metabolite_name>13alphaH-dellta8(14)-Dihydroabietic acid</metabolite_name><metabolite_name>Allixin</metabolite_name><metabolite_name>7,8-Dehydro-beta-micropteroxanthin</metabolite_name><metabolite_name>1-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol</metabolite_name><metabolite_name>2-Hydroxy-6-pentadecylbenzoic acid</metabolite_name><metabolite_name>L-Thymidine</metabolite_name><metabolite_name>PE-NMe2(14:1(9Z)/20:2(11Z,14Z))</metabolite_name><metabolite_name>PA(16:0/18:4(6Z,9Z,12Z,15Z))</metabolite_name><metabolite_name>Apigenin 7-O-(2''-O-acetylglucoside)</metabolite_name><metabolite_name>Tauro-beta-muricholic acid</metabolite_name><metabolite_name>2-Ketohexanoic acid</metabolite_name><metabolite_name>2'-Hydroxy-4,4',6'-trimethoxychalcone</metabolite_name><metabolite_name>1-eicosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphoserine</metabolite_name><metabolite_name>FFA(18:4)</metabolite_name><metabolite_name>3-Palmitoyl-sn-glycerol</metabolite_name><metabolite_name>5-Acetylamino-6-formylamino-3-methyluracil</metabolite_name><metabolite_name>Orotic acid</metabolite_name><metabolite_name>D-Alanine</metabolite_name><metabolite_name>Furmecyclox</metabolite_name><metabolite_name>Gluconic Acid</metabolite_name><metabolite_name>Abscisic acid</metabolite_name><metabolite_name>Malic acid</metabolite_name><metabolite_name>Androsterone sulfate</metabolite_name><metabolite_name>Dimethyl carbonate</metabolite_name><metabolite_name>Mandelic acid</metabolite_name><metabolite_name>(3beta,5alpha,6beta,7alpha,22E,24R)-Ergosta-8,22-diene-3,5,6,7-tetrol</metabolite_name><metabolite_name>alphaS-Amino-2-[[4S-amino-4-carboxybutyl]amino]-4H-imidazo[4,5-b]pyridine-4-hexanoic acid</metabolite_name><metabolite_name>PE-NMe2(14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>Traumatin</metabolite_name><metabolite_name>Pyruvic Acid</metabolite_name><metabolite_name>Phenyl hydrogen sulfate</metabolite_name><metabolite_name>PE-NMe2(20:3(5Z,8Z,11Z)/18:2(9Z,12Z))</metabolite_name><metabolite_name>12-Hydroxystearic acid</metabolite_name><metabolite_name>LPC(14:0/0:0)</metabolite_name><metabolite_name>Di-trans,poly-cis-pentaprenyl diphosphate</metabolite_name><metabolite_name>Elaidic acid</metabolite_name><metabolite_name>Dinoprostone</metabolite_name><metabolite_name>Ginkgolic acid</metabolite_name><metabolite_name>PS(22:5(4Z,7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z))</metabolite_name><metabolite_name>FFA(18:2)</metabolite_name><metabolite_name>Azelaic acid</metabolite_name><metabolite_name>Parthenin</metabolite_name><metabolite_name>Paucin</metabolite_name><metabolite_name>2-Azaniumylheptanoate</metabolite_name><metabolite_name>3-(3-Methoxyphenyl)Propionic Acid</metabolite_name><metabolite_name>L-2-Hydroxyglutaric acid</metabolite_name><metabolite_name>PS(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z))</metabolite_name><metabolite_name>Epinephrine</metabolite_name><metabolite_name>Kurarinol</metabolite_name><metabolite_name>PE-NMe2(22:2(13Z,16Z)/22:2(13Z,16Z))</metabolite_name><metabolite_name>alpha-Dimorphecolic acid</metabolite_name><metabolite_name>4-Chloro-L-phenylalanine</metabolite_name><metabolite_name>3-Sulfocatechol</metabolite_name><metabolite_name>12-Hydroxyjasmonic acid</metabolite_name><metabolite_name>Bergapten</metabolite_name><metabolite_name>(5-Oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid</metabolite_name><metabolite_name>2,5-Dichlorohydroquinone</metabolite_name><metabolite_name>PE-NMe(15:0/20:3(5Z,8Z,11Z))</metabolite_name><metabolite_name>FAA(18:1)</metabolite_name><metabolite_name>Protoverine</metabolite_name><metabolite_name>PS(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z))</metabolite_name><metabolite_name>Erythrulose</metabolite_name><metabolite_name>D-Citramalic acid</metabolite_name><metabolite_name>Daidzein</metabolite_name><metabolite_name>Dinoseb</metabolite_name></additional><is_claimable>false</is_claimable><name>Metabolomic analyses in sepsis-associated acute lung injury rats</name><description>&lt;p>Sepsis-associated acute lung injury (SALI) is a life-threatening pulmonary complication triggered by sepsis, which carries a notably high mortality rate. We constructed a rat model of SALI and administered Xuanbai Chengqi Decoction (XCD) as treatment, after which untargeted serum metabolomics analysis was carried out to screen metabolites that respond to the intervention.Methods: Untargeted serum profiling was performed by liquid chromatography-tandem mass spectrometry&amp;nbsp;(LC-MS/MS) for the control, LPS (ALI model), and XCD groups. Differentially accumulated metabolites between groups were identified and the related metabolic pathways of these differential metabolites were further enriched and annotated to explore the potential mechanism of XCD in treating 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