{"database":"MetaboLights","file_versions":[{"headers":{"Content-Type":["application/json"]},"body":{"files":{"Tabular":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/m_MTBLS12319_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsv","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/m_MTBLS12319_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsv"],"Txt":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/a_MTBLS12319_LC-MS_positive_reverse-phase_metabolite_profiling.txt","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/s_MTBLS12319.txt","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/i_Investigation.txt","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/a_MTBLS12319_LC-MS_negative_reverse-phase_metabolite_profiling.txt"],"Raw":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_LGTB5.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_FGTB7.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_LGTB6.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_LGTB5.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_Control4.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_QC1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_LGTB4.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_Control5.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_LGTB4.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_FGTB1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_FGTB6.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_FGTB1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_Control1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_FGTB6.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_Control6.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_FGTB9.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_FGTB7.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_FGTB8.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_FGTB9.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_LGTB6.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_FGTB8.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_LGTB1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_FGTB3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_Control3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_QC3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_QC2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_FGTB4.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_QC3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_Control2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_FGTB2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_Control1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_FGTB5.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_LGTB3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_QC2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_Control2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_LGTB3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_FGTB2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_FGTB5.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_Control6.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_LGTB2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_Control4.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_FGTB4.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_LGTB2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_FGTB3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_QC1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_LGTB1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/NEG/NEG_Control3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319/FILES/POS/POS_Control5.raw"]},"type":"primary"},"statusCode":"OK","statusCodeValue":200}],"scores":null,"additional":{"ftp_download_link":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12319"],"metabolite_identification_protocol":["<p>The study employed the following methods, reference databases and software for feature identification and metabolite annotation:</p><p>Feature Identification:</p><p>Progenesis QI (Waters Corporation, Milford, USA): This software was used for peak detection and alignment of the raw LC-MS data. It identified the chromatographic features (peaks) in the data matrix that correspond to individual metabolites.</p><p>Metabolite Annotation:</p><p>Database Search: The detected features were annotated using the following databases:</p><p>Human Metabolome Database (HMDB) (http://www.hmdb.ca): This is a comprehensive database that contains information about human metabolites, including their names, structures, pathways and references. The study primarily used HMDB for metabolite annotation.</p><p>Metlin (https://metlin.scripps.edu): This is another database that provides information about metabolites, including their mass spectra and retention times. It was used as an additional resource for metabolite identification.</p><p>Majorbio: This is a commercial database that provides information about metabolites and their biological functions. It was also used as a complementary resource for metabolite annotation.</p><p>Additional Notes:</p><p>The study did not provide details about the specific algorithms or methods used for peak detection and alignment in Progenesis QI.</p>"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse phase","Liquid Chromatography MS - positive - reverse phase"],"chromatography_protocol":["<p>The study utilized a UHPLC-Q Exactive HF-X system (Thermo Scientific, Massachusetts, USA) for LC-MS analysis. The system was equipped with an ACQUITY HSS T3 column (100 x 2.1 mm i.d., 1.8 µm; Waters, Milford, USA).</p><p>Mobile Phase and Gradient:</p><p>Mobile Phase A: 95% water and 5% acetonitrile (containing 0.1% formic acid)</p><p>Mobile Phase B: 47.5% acetonitrile, 47.5% isopropanol and 5% water (containing 0.1% formic acid)</p><p>Gradient: The study did not specify the exact gradient program, but it mentioned a flow rate of 0.40 mL/min. This suggests a typical gradient elution method, where the composition of the mobile phases is gradually changed over time to separate different compounds based on their affinity for the stationary phase.</p><p>Instrument Settings:</p><p>Column Temperature: 40 °C</p><p>Injection Volume: 3 µL</p><p>Ionization Mode: Electrospray ionization (ESI) in both positive and negative ion modes</p><p>Mass-to-Charge Ratio Range: 70-1050 m/z</p><p>Sheath Gas Flow Rate: 50 psi</p><p>Auxiliary Gas Flow Rate: 13 psi</p><p>Auxiliary Gas Heating Temperature: 425 °C</p><p>Ion Transfer Tube Temperature: 325 °C</p><p>Ion-Spray Voltage: -3500 V in negative mode and 3500 V in positive mode</p><p>Collision Energy: 20, 40 and 60 eV</p><p>Resolutions: 60,000 in the first-stage mass spectrometry and 7,500 in the second-stage mass spectrometry</p><p>Data Acquisition: Data Dependent Acquisition mode</p>"],"publication":["Serum untargeted metabolomics reveals distinct metabolic signatures and potential biomarkers in female and latent genital tuberculosis."],"submitter_name":["Zhimin Wang"],"submitter_affiliation":["Affiliated Hospital of Inner Mongolia Medical University"],"organism_part":["Serum"],"technology_type":["mass spectrometry"],"disease":[""],"extraction_protocol":["<p>The study utilized serum samples collected from three groups of women:</p><p>FGTB Group: Nine patients diagnosed with female genital tuberculosis.</p><p>LGTB Group: Six patients diagnosed with latent genital tuberculosis.</p><p>Control Group: Six healthy women without any known reproductive health issues.</p><p>Sample Collection:</p><p>Blood samples (5 mL) were collected from each participant using a vacuum blood collection tube.</p><p>The samples were allowed to clot at room temperature for 1 h.</p><p>The samples were then centrifuged at 400 x g for 10 min to separate the serum from the blood cells.</p><p>The supernatant (serum) was transferred to a 1.5-mL centrifuge tube and centrifuged again at 12,000 x g for 10 min to remove any remaining cellular debris.</p><p>The final supernatant was transferred to a new centrifuge tube, labeled, and stored at -80 °C for long-term preservation.</p><p>Sample Storage:</p><p>The serum samples were stored at -80 °C until further analysis.</p><p>Sample Preparation for LC-MS:</p><p>Prior to analysis, the frozen serum samples were thawed at room temperature.</p><p>200 µL of each sample was transferred into a 1.5-mL centrifuge tube.</p><p>400 µL of a methanol/acetonitrile mixture (1:1, v/v) was added to each sample.</p><p>The samples were vortexed for 30 s and then subjected to low-temperature ultrasonic extraction for 30 min at 5 °C and 40 kHz.</p><p>After extraction, the samples were allowed to stand at -20 °C for 30 min and then centrifuged at 13,000 x g and 4 °C for 15 min.</p><p>The supernatant was collected and dried under nitrogen gas.</p><p>100 µL of an acetonitrile/water mixture (1:1, v/v) was added to redissolve the dried sample for subsequent LC-MS analysis.</p><p>Quality Control:</p><p>To monitor the stability and repeatability of the analytical process, 20 µL of the supernatant was taken at each sample preparation stage to create a quality control (QC) sample.</p><p>The QC samples were analyzed alongside the test samples to ensure data quality and consistency.</p>"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS12319"],"author":["Xiujuan Chen. the Affiliated Hospital of Inner Mongolia Medical University, Hohhot, China. 1431272841@qq.com.","Rina Sha. the Affiliated Hospital of Inner Mongolia Medical University, Hohhot, China. 543660106@qq.com.","Zhimin Wang. 1, affiliation: the Affiliated Hospital of Inner Mongolia Medical University, Hohhot, China. the Affiliated Hospital of Inner Mongolia Medical University, Hohhot, China. imuwangzhimin@163.com. -15024976042.","Debang Li. the Affiliated Hospital of Inner Mongolia Medical University, Hohhot, China. 1830045479@qq.com.","Bai Dai. the Affiliated Hospital of Inner Mongolia Medical University, Hohhot, China. 270486386@qq.com."],"data_transformation_protocol":["<p>The study employed the following methods and software for preprocessing and analysis of the raw LC-MS data:</p><p>Data Preprocessing:</p><p>Progenesis QI (Waters Corporation, Milford, USA): This software was used for importing the raw LC-MS data and processing it to generate a data matrix containing information such as retention time, mass-to-charge ratio and peak intensity.</p><p>Data Matrix Preprocessing:</p><p>Normalization: The response intensities of the sample spectral peaks were normalized using the sum normalization method to ensure consistency across samples.</p><p>Quality Control: Variables of QC samples with relative standard deviation (RSD) &gt; 30% were excluded to remove unreliable data.</p><p>Logarithmic Transformation: The remaining variables were log10 transformed to stabilize the variance and improve statistical analysis.</p>"],"study_factor":["FGTB/LGTB","Age","IGRA","BMI"],"submitter_email":["imuwangzhimin@163.com"],"sample_collection_protocol":["<p>Origin of Samples:</p><p>Serum samples were obtained from 21 female participants recruited at the Reproductive Medicine Center of the Affiliated Hospital of Inner Mongolia Medical University (Hohhot, China) between September 2021 and December 2022. The cohort included:</p><p>9 patients with female genital tuberculosis (FGTB):&nbsp;Diagnosed via laparoscopy, showing enlarged/rigid fallopian tubes with caseous tissue and TB nodules.</p><p>6 patients with latent genital tuberculosis (LGTB):&nbsp;Diagnosed via positive interferon-γ release assay (IGRA), pelvic inflammatory disease on laparoscopy, and exclusion of other pathogens.</p><p>6 healthy controls:&nbsp;Negative for IGRA and without reproductive system abnormalities.</p><p>Inclusion Criteria:</p><p>Aged 20-35 years.</p><p>Primary/secondary infertility (&gt;2 years) with normal menstrual cycles.</p><p>Exclusion Criteria:</p><p>Use of anti-tuberculosis (TB) drugs.</p><p>Severe mental/sexual disorders, ovulatory abnormalities, endocrine diseases, lung infections, autoimmune diseases, HIV, co-infections or diabetes.</p><p>Relevant Treatment:</p><p>No participants had received anti-TB treatment prior to sample collection.</p><p>Sample Collection and Storage Procedure:</p><p>Blood Collection:&nbsp;5 mL of venous blood was drawn into vacuum tubes.</p><p>Processing:</p><p>Clotting at 25 °C for 1 h.</p><p>Centrifugation at 400 x g for 10 min to separate serum.</p><p>Secondary centrifugation (12,000 x g, 10 min) to remove debris.</p><p>Storage:&nbsp;Supernatant aliquots were labeled and stored at -80 °C until analysis.</p><p>Pretreatment for LC-MS:</p><p>Thawed serum (200 µL) was mixed with methanol/acetonitrile (1:1, v/v), vortexed, ultrasonicated (5 °C, 30 min), and centrifuged (13,000 x g, 15 min).</p><p>Supernatant was dried under nitrogen gas, reconstituted in acetonitrile/water (1:1, v/v), and analyzed via liquid chromatography-mass spectrometry (LC-MS).</p><p>Time Points:</p><p>Samples were collected during infertility evaluation, with no specific time points detailed beyond the recruitment period. The study design was cross-sectional, with single-time-point sampling.</p>"],"omics_type":["Metabolomics"],"study_design":["Metabolic Pathway","female genital tuberculosis","untargeted metabolites","Serum","infertility"],"curator_keywords":["Metabolic Pathway","female genital tuberculosis","untargeted metabolites","Serum","infertility"],"mass_spectrometry_protocol":["<p>The study utilized a UHPLC-Q Exactive HF-X system (Thermo Scientific, Massachusetts, USA) for LC-MS analysis.</p><p>Ion Source:</p><p>ESI: Electrospray ionization (ESI) was used for both positive and negative ion mode scanning. ESI is a soft ionization technique that allows for the analysis of polar and nonvolatile compounds.</p><p>Ionisation Mode:</p><p>Positive and Negative Ion Mode: The study analyzed the samples in both positive and negative ion modes to identify a wider range of metabolites.</p><p>m/z Range:</p><p>70-1050 m/z: The mass-to-charge ratio (m/z) range was set from 70 to 1050, which allows for the detection of a wide range of metabolites with varying masses.</p><p>Specific Parameters:</p><p>Sheath Gas Flow Rate: 50 psi</p><p>Auxiliary Gas Flow Rate: 13 psi</p><p>Auxiliary Gas Heating Temperature: 425 °C</p><p>Ion Transfer Tube Temperature: 325 °C</p><p>Ion-Spray Voltage: -3500 V in negative mode and 3500 V in positive mode</p><p>Collision Energy: 20, 40 and 60 eV</p><p>Resolutions: 60,000 in the first-stage mass spectrometry and 7,500 in the second-stage mass spectrometry</p><p>Data Acquisition: Data Dependent Acquisition mode</p>"],"metabolite_name":["SM(d18:0/18:1(9Z))","Coniferaldehyde","4-Hydroxynonenal","PG(i-24:0/LTE4)","Oct-5-enedioylcarnitine","PE-NMe(15:0/22:4(7Z,10Z,13Z,16Z))","PS(20:1(11Z)/22:0)","Lumirubin","2-Butyne-1,4-diol","()-1,2-Epoxyneomenthyl acetate","2,3-Diaminopyridine","PE(PGJ2/18:4(6Z,9Z,12Z,15Z))","L-Allothreonine","PC(18:1(9Z)/16:0)","Citrulline","3-Hydroxyanthranilic Acid","PC(16:0/0:0)","Tropolone","7-Aminocephalosporanic acid","Cnidilide","CL(i-14:0/i-15:0/i-12:0/18:2(9Z,11Z))","N-benzylformamide","4-Hydroxybenzaldehyde","N2-Acetylornithine","Furfural","Ubiquinol-8","Ile Ala","L-Pipecolic acid","Histidyltryptophan","N6-Acetyl-L-lysine","2,4-Thiazolidinedicarboxylic acid, 2-methyl-","Cholest-7-en-3beta-ol","Octa-2,4-dienoylcarnitine","Cetyl recinoleate","CL(i-12:0/i-22:0/18:2(9Z,11Z)/18:2(9Z,11Z))","L-Theanine","Glutamylisoleucine","Digitoxigenin bisdigitoxide","Gamma-Glutamyltyrosine","Nepetaside","Lamivudine","Histidinyl-Proline","Oxytocin 1-8","PC(22:6/0:0)","Leu Ile","LysoPC(14:0/0:0)","FMNH2","Temazepam","LacCer(d18:1/16:0)","Proline betaine","N-Acetyl-S-(N-methylcarbamoyl)cysteine","3-hydroxynonanoyl carnitine","5-Ethoxythiazole","P-Coumaric acid","Kainic acid","Citral propylene glycol acetal","12(S)-HETrE","3-Methylazelaic acid","Triethylenemelamine","Erucic acid","N-(9Z-Octadecenoyl)-4E,14Z-sphingadienine-1-phosphocholine","Nona-2,4,6-trienal","Bioadykinin Fragment 1-5","Gemfibrozil 1-O-beta-Glucuronide","Benzocaine","PE(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:4(8Z,11Z,14Z,17Z))","Indoleacetaldehyde","Indole-3-acetic Acid","Thermophillin","Canthaxanthin","PI(22:3(10Z,13Z,16Z)/PGF1alpha)","Hernandulcin","Gentamicin C","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(9Z))","PC(18:2(9Z,12Z)/16:0)","SM(d16:1/16:0)","SM(d18:2(4E,14Z)/18:0)","1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid","Ethinamate","P-Cresol sulfate","Vertilmicin","Indole","PE-NMe2(14:1(9Z)/24:1(15Z))","Dibutylamine","Ritipenem","Cochinchinenin B","L-Carnitine","N-Ac-(4-Cl-Phe)(1)-(4-Cl-Phe)(2)-Trp(3)-Lys(6)-AlaNH2(10)-LHRH","Venlafaxine","LysoPE(0:0/22:4(7Z,10Z,13Z,16Z))","3-(Aminomethyl)-2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one","H-Ser-Leu-Ile-Gly-Arg-Leu-OH","Adenosine","Neocnidolide","3-Deoxyestrone","L-Valine, N-(2-hydroxy-3-butenyl)-","1-Hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1h-pyrrole-3-carboxamide","2-Hydroxypurine","LysoSM(d18:0)","2-Hydroxycinnamic acid","Phe Phe","Coniferyl Alcohol","PC(16:0/18:2(9Z,12Z))","PC(18:1(11Z)/16:1(9Z))","2,6-diamino-4-hydroxy-5-formamidopyrimidine","5-[(2R)-2-Aminopropyl]-2-hydroxybenzoic acid","LysoPC(20:2(11Z,14Z)/0:0)","L-Phenylalanine","Lauramine Oxide","Lysylhistidine","PC(20:2(11Z,14Z)/18:1(9Z))","Phytyl monophosphate","S-Allyl-L-cysteine","PI(18:0/20:4(8Z,11Z,14Z,17Z))","13-Hydroxyoctadecanoylcarnitine","(2S)-2-Hydroxy-2-(propan-2-yl)butanedioylcarnitine","Oripavine","N(2)-phenylacetyl-L-glutaminate","(S)-10,16-Dihydroxyhexadecanoic acid","Phe Ile","N-Undecanoylglycine","Oxeclosporin","Ureidoisobutyric acid","DG(18:0/20:4(8Z,11Z,14Z,17Z)/0:0)","Zeatin","SM(d18:1/17:0)","Trehalose","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))","Hexadecanedioic acid mono-L-carnitine ester","Procainamide","N-Acetyl-4-O-acetylneuraminic acid","PC(18:3(9Z,12Z,15Z)/16:0)","2,5-Heptadien-1-ol","10,11-Dihydro-12R-hydroxy-leukotriene E4","Sterigmatocystin","Descladinose roxithromycin","LL-2,6-Diaminopimelic Acid","3-methylheptanedioylcarnitine","Indole-3-Carboxaldehyde","Mitiglinide calcium","ALA-ILE","(10E)-8-Hydroxydodec-10-enoylcarnitine","(4E,7E,10E,13E)-Hexadeca-4,7,10,13-tetraenoic acid","Latrunculin B","Foliandrin","SM(d18:0/22:1(13Z))","L-Hexanoylcarnitine","1,2-dipalmitoyl-sn-glycero-3-PC","PC(22:2(13Z,16Z)/14:0)","Tanacetol B","Tanacetol A","Benzeneacetonitrile","Hydroxyoxazolone","6-Hydroxytrideca-8,10-dienoylcarnitine","4-Pyridoxic Acid","PE(PGJ2/20:0)","Aethallymal","Dihydroergocornine","(22R,23R)-22,23-dihydroxy-campest-4-en-3-one","PGP(i-18:0/20:4(5E,8Z,12Z,14Z)-OH(11R))","4-O-(Indole-3-acetyl)-D-glucopyranose","Lopirazepam","PC(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))","Pro Phe","Glycochenodeoxycholic Acid","DG(15:0/18:0/0:0)","Beta-Tyrosine","Gemsa","PC(18:2/0:0)","Oxalosuccinate","9-Carboxymethoxymethylguanine","Cinnamyl alcohol","LysoPC(17:0/0:0)","Vulgarin","Americine","DG(20:4(5Z,8Z,11Z,14Z)/18:0/0:0)","(8S,9S,10R,13S,14S,17R)-1-Hexadecanoyl-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one","CL(i-12:0/i-24:0/i-24:0/18:2(9Z,11Z))","Chenodeoxycholic acid glycine conjugate","Diisooctyl phthalate","DG(20:4(8Z,11Z,14Z,17Z)/18:0/0:0)","Xi-1-Butoxy-1-methoxyethane","PE(18:0/18:1(9Z))","PE(22:0/PGJ2)","Benzanilide","4-Hydroxy-4-(3-pyridyl)-butanoic acid","4-(10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxolan-2-one","Butyryl-L-carnitine","(8R,9S,10S,13S,14S,17R)-16-Fluoro-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","O-Adipoylcarnitine","PA(i-19:0/PGF1alpha)","PC(18:2(9Z,12Z)/18:0)","(10Z)-12-Hydroxyhexadecenoylcarnitine","Stercobilin","DL-p-Chlorophenylalanine methyl ester hydrochloride","Leu Val","Alisol A","Cer(d18:1/17:0)","Yersiniabactin","Ethyl 3-hydroxydodecanoate","Gamma-Glutamyl-beta-aminopropiononitrile","Gamma-Glutamylcysteine","Caryophyllen-beta","Arachidic acid","Isoleucylproline","N-Methyl-2-pyrrolidinone","Desmethylmisonidazole","1-Hexadecanoyl-sn-Glycero-3-Phosphoethanolamine","Pirbuterol","L-Threonine","(S,S)-Butane-2,3-diol","PE(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/14:1(9Z))","8-Amino-7-oxononanoic acid","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))","SM(d18:0/16:1(9Z))","L-Leucine","Garcinia acid","Dioctyl succinate","13-Nor-6-eremophilene-8,11-dione","Prometon","PC(18:0/0:0)","LysoPC(20:4(8Z,11Z,14Z,17Z)/0:0)","PC(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))","PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)-OH(19S))","Ubiquinone-8","5-Hydroxy-2,4-dimethylthiophen-3-one","(1R,2R,4R,5S)-()-p-Menthane-2,5-diol","Succinimide","PC(18:1(9Z)/P-16:0)","Trans-Cinnamic acid","DG(i-15:0/0:0/18:1(12Z)-O(9S,10R))","N,N-Didemethyl orphenadrine","DG(i-14:0/0:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))","L-Palmitoylcarnitine","Azacyclotridecan-2-one","Leucomycin","L-Tryptophan","Monoethylhexyl phthalic acid","PC(P-16:0/20:4(8Z,11Z,14Z,17Z))","PS(15:0/PGE2)","MJDBISSP00000002","2-Lysophosphatidylcholine","Dopamine","PC(16:0/16:1(9Z))","PC(18:0/16:1(9Z))","MJDBISSP00000001","Erythromycylamine","MJDBISSP00000009","Pro-leu","L-alpha-Amino-1H-pyrrole-1-hexanoic acid","Pentaethylene glycol","DG(18:0/0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","5-((6-((Aminomethyl)amino)-1-oxohexyl)amino)pentanoic acid","L-Valine","Uracil","Myosmine","Vidarabine","Epanolol","Cinnamaldehyde","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z))","Cuminaldehyde","Nopalinic acid","PG(PGE2/20:3(5Z,8Z,11Z))","Ropivacaine","3-Methylbenzaldehyde","Creatine","4-Oxo-L-proline","Inosinic acid","PA(a-25:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))","Hippuric Acid","3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid","Behenic acid","PC(22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z))","PA(i-16:0/18:1(12Z)-2OH(9,10))","Cytosine","PS(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Tautomycin","Risperidone","Dihydrojasmonic acid","N6-Methyl-2'-deoxyadenosine","N-Linoleoyl Lysine","Furanogermenone","DG(18:2n6/0:0/22:5n3)","2,6-Diaminopurine 2',3'-dideoxyriboside","Stallimycin","()-6-Chlorotryptophan","Simonin IV","3-Propylidene-1(3H)-isobenzofuranone","S-Butylcysteine sulfoxide","PC(14:1(9Z)/18:1(11Z))","Kynurenic Acid","(6S)-Tetrahydro-L-biopterin","DG(18:3(10,12,15)-OH(9)/0:0/18:0)","1-(beta-D-Glucopyranosyloxy)-3-octanone","Dehydrotumulosic acid","PC(24:0/20:4(8Z,11Z,14Z,17Z))","METAMITRON","CL(i-12:0/i-19:0/i-16:0/i-13:0)","Choline Phosphate","PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PC(24:0/PGF1alpha)","N-(2-Hydroxy-3,3,3-trifluoropropyl)-2-(2-nitro-1-imidazolyl)acetamide","1-Phenylethanol","PC(14:0/22:2(13Z,16Z))","Gamma-Glu-leu","PS(20:2(11Z,14Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))","2(3H)-Benzothiazolethione","Hexyl glucoside","4-Hydroxyisovaleric acid","CL(i-12:0/i-20:0/i-14:0/i-19:0)","Azaspiracid 4","Milbemycin alpha5","MG(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)","Cantharidin","Ile Val","PE(20:1(11Z)/18:3(9Z,12Z,15Z))","Doxycycline","(3Z)-2-Propylpent-3-enoic acid","()-Tryptophan","Gentamicin C2","Aminoacetone","Metipranolol","Delphinidin","Dimethylethanolamine","Davercin","4,5-Dihydrovomifoliol","Canarigenin 3-[glucosyl-(1->4)-6-deoxy-alloside]","Dimethyl Sulfoxide","METHACHOLINE","3-Hydroxyoctadecanoylcarnitine","Tyramine","(S)-3-Butyl-1(3H)-isobenzofuranone","Mitomycin","Trinexapac-ethyl","(3R,5R)-7-[(1S,2R,3R,8S,8Ar)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid","Methyl methacrylate","Withanolide B","DG(18:0/0:0/20:4n3)","4-Hydroxyhexanoycarnitine","9-Hydroxydecanoylcarnitine","O-Stearoylcarnitine","(8Z,11Z)-3-Icosa-8,11-dienoylcarnitine","Cyclo(aspartylleucylthreonylvalyltyrosylphenylalanylglycyl)","2-Ethylaniline","PC(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z))","PGP(18:1(9Z)/18:3(9Z,12Z,15Z))","Isoputreanine","PE(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))","Octanedioylcarnitine","Omphalotin C","Pendetide","(3Z)-phytochromobilin","2-Keto-6-aminocaproate","(Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one","O-Acetylcarnitine","3,4,5-Trihydroxypentanoylcarnitine","Xanthine","Decanoylcarnitine","9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one","PA(24:0/LTE4)","3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide","PE(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))","Norerythromycin","Supinine","Polyglycerol esters of fatty acids","DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)","Indolelactic Acid","Apigenin 7-O-diglucuronide","PC(14:1(9Z)/18:1(9Z))","PG(PGD2/22:4(7Z,10Z,13Z,16Z))","Blasticidin S","2-Hexenoylcarnitine","5alpha-Androstane-3beta,17beta-diol","SM(d18:2(4E,14Z)/24:1(15Z))","PE-NMe2(18:3(9Z,12Z,15Z)/22:1(13Z))","L-Isoleucine","DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)","RHODAMINE 6G","Medina","Cyanidin 3,5-O-diglucoside","Imetit","Pivampicillin","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)","(Z)-1-Methyl-2-(tridec-8-en-1-yl)quinolin-4(1H)-one","2-Aminopurine","Danatrol","N1-Methyl-2-pyridone-5-carboxamide","PS(15:0/24:1(15Z))","Staphyloxanthin","LysoPC(15:0/0:0)","(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-16:0)","LysoPC(20:4(5Z,8Z,11Z,14Z)/0:0)","Fasoracetam","Aspartyl-Proline","LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)","17-beta-Estradiol-3-glucuronide","(3S,3'S,5R,5'R,6R)-3,6-Epoxy-5,6-dihydro-3',5,8'-trihydroxy-beta,kappa-caroten-6'-one","2',3-Dimethyl-4-aminobiphenyl","Isovaleraldehyde glyceryl acetal","Prenalterol","PE(18:4(6Z,9Z,12Z,15Z)/20:0)","Amperozide","Nitrobenzodiazepine","LysoPC(P-18:0/0:0)","3-Amino-2,3-dihydrobenzoic acid","LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)","Glycodeoxycholic Acid","Cichorioside F","Trimethylamine N-Oxide","PC(18:1(9Z)-O(12,13)/2:0)","Hexenal","Cyclopropanecarboxylic acid","Pisumic acid","2,3,4,5-Tetrahydro-2-pyridinecarboxylic acid","5-Hydroxy-L-tryptophan","3-(6-Aminopurin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol","L-Aspartyl-L-Phenylalanine","P-Coumaraldehyde","L-Octanoylcarnitine","P-CHLOROPHENYLALANINE","PC(18:4(6Z,9Z,12Z,15Z)/20:3(5Z,8Z,11Z))","Lysophosphatidylcholine","Aspartame","Ophiopogonin C","Lamivudine-monophosphate","LysoPE(0:0/18:1(11Z))","(2-Acetyloxy-3-hydroxypropyl) (E)-octadec-9-enoate","Tridecanedioylcarnitine","Chlorobenzene","9H-Purine-9-ol","SM(d18:1/16:1(9Z))","Nimorazole","Hydroxyethyl methacrylic acid","1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole","DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)","DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)","Daunosamine","PS(20:1(11Z)/22:1(13Z))","Isepamicine","L-Proline","MG(0:0/24:1(15Z)/0:0)","Phenol","6-Hydroxyoctanoylcarnitine","Polyoxyethylene 40 monostearate","Pheophorbide a","Armillane","2-Furanmethanol","3-ureido-isobutyrate","(9E)-Tridec-9-enoylcarnitine","5-Hydroxyindoleacetic acid","2-(4-Morpholinyl)benzothiazole","PC(O-16:1(9Z)/18:0)","3-AMINOBENZAMIDE","1,2,3-Trihydroxybenzene","Pantothenic Acid","(2-Hydroxy-3-phosphonooxypropyl) octadec-9-enoate","Phthalic Acid","L-Asparagine","DG(8:0/0:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17))","LysoPC(P-16:0/0:0)","4-Piperidinone, 1-hydroxy-2,2,6,6-tetramethyl-","Mevalonolactone","7,8-Dihydro-2'-deoxyguanosine","4-Propylphenol","2H-Pyran-2-one, tetrahydro-4-hydroxy-4-methyl-, (R)-","SM(d16:2(4E,8Z)/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))","N-Methylaniline","Fusaric Acid","PC(20:2(11Z,14Z)/18:4(6Z,9Z,12Z,15Z))","Ethyl-4-hydroxymethyl-3(2H)-Furanone","(12E)-10-Hydroxytetradec-12-enoylcarnitine","LysoPC(18:0/0:0)","Dodecanedioylcarnitine","Isoetharine","PE(P-18:0/22:5(4Z,7Z,10Z,13Z,16Z))","PE-NMe2(24:1(15Z)/20:2(11Z,14Z))","Undecanoylcarnitine","Lactaroviolin","Sativic acid","PC(20:1(11Z)/18:3(6Z,9Z,12Z))","Guanosine","5-Hydroxyindoleacetylglycine","1-Palmitoylphosphatidylcholine","Deoxycholic acid glycine conjugate","Isopropyl 4-hydroxybenzoate","DG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/0:0)","Octanoylcarnitine","Sphingosylphosphorylcholine","PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z))","Tetradecanoylcarnitine","P-Coumaryl Alcohol 4-O-Glucoside","Biliverdin","Spisulosine","GPEtn(18:3/18:1)","Vulgarole","LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Thr Phe Phe","Glutamic acid diethyl ester","2,6-Diisopropylaniline","1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-","1-(Naphthalen-2-yl)-2-(pyrrolidin-1-yl)pentan-1-one","(2R,4R)-2-phenylthiazolidine-4-carboxylic acid","Curdione","1-Octen-3-yl glucoside","Asp Phe Leu","Methylprednisolone acetate","Isoketocamphoric acid","N-Arachidonoyl Arginine","PE(18:3(9Z,12Z,15Z)/18:1(11Z))","Agavoside A","PA(24:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))","Obacunone","N-Dodecylsarcosinate","Cerulenin","PC(20:4(5Z,7E,11Z,14Z)-OH(9)/P-18:0)","L-Glutamic gamma-semialdehyde","Alpha-Methylene-Gamma-Butyrolactone","PC(20:2(11Z,14Z)/15:0)","Acetamidopropanal","5-Acetamidovalerate","Tetracosahexaenoic acid, n-3","Cimicifugoside","(R)-Piperitone","Saxitoxin","L-Tyrosine","SM(d18:2(4E,14Z)/PGJ2)","Nornicotine","2-Ethylsuberic acid","PC(20:3(5Z,8Z,11Z)/24:0)","4-Methyl-1H-Benzotriazole","FAHFA(16:0/11-O-18:0)","27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol","2-Ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine","PC(18:1(9Z)e/2:0)","Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-Furanone","(R)-3-hydroxybutyrylcarnitine","Metoclopramide","PC(14:0/20:2(11Z,14Z))","(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol","4-Trimethylammoniobutanoic acid","3-Aminopropionaldehyde","Risbitin","PE-NMe2(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z))","3-Dehydrocarnitine","6-Methoxymellein","2-Isopropylmalic acid","LysoPC(18:1(11Z)/0:0)","Lopinavir","Phaseolotoxin","Propionylcarnitine","Gly Gly Val","(9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid","3-Amino-3-(4-hydroxyphenyl)propanoic Acid","PE(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/DiMe(11,5))","7-Hydroxyoctanoylcarnitine","3-(2-Azetidinylmethoxy)-2-fluoropyridine","Cletoquine","N(6)-Methyllysine","Tolmetin","LysoPC(16:1(9Z)/0:0)","Bisacurone epoxide","Nona-3,5-dienoylcarnitine","Ginsenoside Rg3","S-(2-(N,N-Diisopropylamino)ethyl)isothiourea","Piperine","4-Methylumbelliferone","Isopropylbenzene","Butyl N-(2-Cyclohexyl-6-Pyrrolidin-1-yl-3H-Benzimidazol-5-yl)carbamate","Benzoic Acid","CAY10444","Creatinine","1-O-Isopentyl-3-O-octadec-2-enoyl glycerol","3-Hydroxytetradecanoyl carnitine","Demethoxyrapamycin","Permetin A","1-O-Hexadecyl-sn-glycero-3-phosphocholine","Glabric acid","5-Methoxydimethyltryptamine","5-Hydroxypentanoic acid","Coumarin 102","5-Acetoxydihydrotheaespirane","5-Aminopentanoic acid","2-Phenylacetamide","PE(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))","2-Aminoheptanedioic Acid","N-Acetylleucine","5-Hydroxydec-7-enoylcarnitine","P-Coumaric acid sulfate","Ethyl benzoate","LysoPC(20:1(11Z)/0:0)","N-Stearoyl Arginine","Deoxycholic acid 3-glucuronide","Dioctyl Phthalate","Theobromine","5-[(1-Iminoethyl)amino]-2-aminopentanoic acid","DG(16:0/20:4(8Z,11Z,14Z,17Z)/0:0)","1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide","3-Hydroxy-p-mentha-1,8-dien-7-al","Cinobufagin","Sterebin A","4-Octylphenol","L-Hypoglycin A","Betaine","Myristicin","L-Alanine","Des-arg(9)-bradykinin","Lanthionine ketimine","Perillyl aldehyde","Pipecolic Acid","2-[[3-Cyclohexyl-1-[2-[3-(diaminomethylideneamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]acetic acid","MG(18:1(11Z)/0:0/0:0)","CL(8:0/11:0/18:2(9Z,11Z)/19:0)","Lotaustralin","Floionolic acid","LysoPA(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)","Cytidine","Ibuprofen piconol","2-acetyl-1,4,5,6-tetrahydropyridine","PC(20:4(8Z,11Z,14Z,17Z)/16:0)","2-(3-Carboxy-3-aminopropyl)-L-histidine","Melilotoside C","PG(6 keto-PGF1alpha/i-21:0)","13(S)-Hydroperoxylinolenic acid","Abacavir","Isoquinoline","L-Lysine","21H-Biline-8,12-dipropanoicacid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-","Hydroxyprolyl-Valine","N-Nervonoyl Glutamine","2-[(Z)-[(4Z)-4-(Diaminomethylidenehydrazinylidene)hexan-3-ylidene]amino]guanidine","Dodecanoic acid","Sphinganine","Xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one","PC(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/24:1(15Z))","Motolimod","PE-NMe2(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))","Metoprolol","Phe Ser","Butirosina","2-Amino-4-[carbamimidoyl(methyl)amino]butanoic acid","APC","Amphotericin B","2-Cyanopyridine","Anthranilic acid","LysoPE(0:0/18:0)","MG(i-15:0/0:0/0:0)","PA(20:2(11Z,14Z)/20:1(11Z))","Linolenic Acid","SM(d20:1/20:3(8Z,11Z,14Z)-2OH(5,6))","DL-3,4-Dihydroxymandelic acid","Anabasine","Styrene Oxide","Nalbuphine","Aspartyl-Arginine","Fructose lactate","PC(18:1(11Z)/18:2(9Z,12Z))","Styrene","Formycin b","Salicylanilide","13Z-docosenoyl-CoA","Butylisopropylamine","Prilocaine","2-carboxy-L-threo-pentonate","2-Amino-6-methoxypurine","Lauryldiethanolamine","Austalide L","L-Norleucine","5-Aminopentanal","Hydroxyoctadecenoylcarnitine","Niacinamide","Serotonin","PE(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))","Phaseic acid","Pyrroline","Leucylproline","4-Chlorophenoxyacetic acid","Hexylamine","PE(20:3(5Z,8Z,11Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))","2-(Octadecyloxy)ethanol","Tetradecyl nicotinate","O-(13-Carboxytridecanoyl)carnitine","Indoleacrylic acid","2-O-ethyl PAF C-16","N-cycloheptyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide","Lenticin","5,6-epoxy,18R-HEPE","Dihydrozeatin-O-glucoside","Guanidine, (4-chloro-3-methoxy-1-oxo-1H-2-benzopyran-7-yl)-","Stizolamine","Lupinic acid","1-Acetylindole","Myristic acid","Cyclohexane","Cortolone-3-glucuronide","(1'R)-Nepetalic acid","Hypoxanthine","PS(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/22:0)","3,11,12-Trihydroxy-1(10)-spirovetiven-2-one","Amotosalen","BUTHIONINE SULFOXIMINE","PC(16:0/18:3(9Z,12Z,15Z))","Pivagabine","Gibberellin A8-catabolite","Ergosine","Citreoviridin","PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","4-Hydroxycyclohexylcarboxylic acid","N6,N6,N6-Trimethyl-L-lysine","PC(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PE(22:4(7Z,10Z,13Z,16Z)/20:3(8Z,11Z,14Z)-2OH(5,6))","()-erythro-Isoleucine","Nateglinide","PS(PGJ2/15:0)","Pantolactone","Adenine","3-Methoxypropylamine","SM(d16:2(4E,8Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))","Triethyl Phosphate","CL(18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/18:0)","4-Methylumbelliferyl-6-sulfo-2-acetamido-2-deoxy-beta-glucopyranoside","(4E)-3-Hydroxydodec-4-enoylcarnitine","2-Pentyl-3-phenyl-2-propenal","(3S)-3-hydroxycyclocitral","PGP(18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Midecamycin acetate","Pirimicarb","PC(18:1(11Z)/18:0)","Indolophenanthridine","2,6-Diamino-9-(2-hydroxyethoxymethyl)purine","2-Aminoacrylic acid","Caffeine","6-Methylnicotinamide","2-Aminopyridine","3-Hydroxybenzaldehyde","1-Propanone, 1-(3,4-dihydroxyphenyl)-2-methyl-","Cucurbitacin E","PC(20:2(11Z,14Z)/P-18:1(9Z))","Cucurbitacin C","Sebacic acid","L-Methionine","Dihydrouracil","PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z))","Methyldopa","Metronidazole","2-Chloro-N6-cyclopentyladenosine","13-Demethyl tacrolimus","Atractylenolide III","Cellobioside","Coutaric acid","PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))","PS(20:1(11Z)/20:0)","Salidroside","SM(d17:1/18:0)","Peanut oil, hydrogenated","Thyroxine","Pyroglutamic acid","PE(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/20:2(11Z,14Z))","Coniferyl Aldehyde","PE(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/DiMe(13,5))","7,10,13,16,19-Docosapentaenoic acid","PC(20:0/16:0)","Fludrocortisone acetate","Cyclopentanol","Etodolac acyl glucuronide","Lappaol B","Ovalicin","LysoPG(16:0/0:0)","L-Threo-3-Phenylserine","2-Chlorooctadecanoic acid","5-Hydroxyoctanoylcarnitine","Tranexamic Acid","N-(3-Methyl-2-pyridyl)-3-phenylsuccinimide","N-{(2R)-2-Hydroxy-2-[(8S,11S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-YL]ethyl}-N-isopentylbenzenesulfonamide","SM(d18:1/PGF2alpha)","Soyasaponin aa","5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H imidazole-5-carboxylate","11-Epicortisol","Glycylprolylarginine","1,5-Dimethyl citrate","MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)","18-Hydroxycorticosterone","Indole-3-acetaldehyde","TETRAHYDROURIDINE","Erucamide","Deoxycholylcysteine","O-(17-Carboxyheptadecanoyl)carnitine","PG(20:1(11Z)/PGF1alpha)","LysoPC(20:0/0:0)","PS(20:2(11Z,14Z)/20:0)","Chenodeoxycholylarginine","Dihydroisomorphine-3-glucuronide","Oxypurinol","Supercinnamaldehyde","6-(2-Hydroxyethoxy)-6-oxohexanoic acid","CL(11:0/11:0/15:0/a-15:0)","Guanylin","L-Glycine","Alpha-Terpineol propanoate","PC(18:1(11Z)/16:0)","Cyanidin 3-glucosyl-rutinoside","PG(a-25:0/LTE4)","N1-Methyl-4-pyridone-3-carboxamide","2-Aminobutan-1-ol","PE(16:1(9Z)/P-18:1(11Z))","4-Chloro-L-phenylalanine","Toluene","PS(20:4(6E,8Z,11Z,13E)-2OH(5S,15S)/20:0)","5-Hydroxyindoleacetate","Isoleucyl-thiazolidine","PE(P-18:0/20:4(5Z,8Z,11Z,14Z))","B-Octylglucoside","Acetolein","1-Methyl-2-Pyrrolidinone","Daidzein"],"additional_accession":[]},"is_claimable":false,"name":"Serum untargeted metabolomics reveals distinct metabolic signatures and potential biomarkers in female and latent genital tuberculosis","description":"<p>Female genital tuberculosis (FGTB) and latent genital tuberculosis (LGTB) critically impair women's reproductive health. However, their early diagnosis and treatment remain challenging due to nonspecific symptoms and suboptimal diagnostic methods. This study utilized serum untargeted metabolomics to identify metabolic signatures and potential biomarkers in 21 participants (9 FGTB, 6 LGTB, 6 controls), aiming to provide valuable references for early diagnosis and exploration of the pathogenesis of these diseases. Multivariate and univariate analyses identified 8 and 13 differential metabolites in FGTB and LGTB groups, respectively. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis revealed these differential metabolites were primarily enriched in lipid-related pathways (steroid hormone biosynthesis, bile secretion) and amino acid/nucleic acid metabolism (purine/tryptophan pathways). Notably, the variable importance of projection (VIP) and receiver operating characteristic (ROC) analyses revealed deoxyschizandrin, estrone-3-sulfate and toosendanin demonstrated exceptional diagnostic accuracy for FGTB (VIP &gt; 3, P &lt; 0.05, and the area under the ROC curve (AUC) &gt; 0.9), while dyclonine emerged as a robust LGTB biomarker (AUC = 0.944). These findings highlight systemic metabolic dysregulation in FGTB/LGTB and propose serum-based biomarkers as noninvasive tools for early diagnosis. The study pioneers the application of serum untargeted metabolomics in FGTB/LGTB, offering novel insights into pathogenesis and therapeutic targets.</p>","dates":{"publication":"2025-12-25","submission":"2025-03-15"},"accession":"MTBLS12319","cross_references":{"HMDB":["HMDB0000641;HMDB0003423;PW_C000500;MJDBOTE0000775","HMDB0000289;PW_C000195;MJDBOTE0001097","HMDB0244180","HMDB0060933","HMDB0304928","HMDB0304924","HMDB0004096;PW_C002060","HMDB0041723","HMDB0028882","HMDB0000397;MJDBOTE0000462","HMDB0304906","HMDB0253042","HMDB0266104","HMDB0060923","HMDB0032049","HMDB0031609","HMDB0029356","HMDB0041731","HMDB0301814","HMDB0060829","HMDB0029202","HMDB0041714","HMDB0258974","HMDB0041783","HMDB0000784;LMFA01170054;MJDBOTE0000344","HMDB0254219","HMDB0006766","HMDB0252207;HMDB0015173;HMDB0250346","HMDB0062544","HMDB0253820","HMDB0304933","HMDB0301801","HMDB0304919","HMDB0059933","HMDB0251762","HMDB0248771","HMDB0000840","HMDB0248390","HMDB0002640","HMDB0033481","HMDB0243852","HMDB0303801","HMDB0002430;HMDB0243600","HMDB0004081;PW_C002052","HMDB0255156","HMDB0249535","HMDB0014554;MJDBOTE0001685","HMDB0244212","HMDB0296919","HMDB0256537","HMDB0014783","HMDB0061386","HMDB0001925;PW_C001284;MJDBOTE0001402","HMDB0031928;LMFA05000027","HMDB0034107","HMDB0244272;MJDBOTE0001753","HMDB0010337","HMDB0004704","HMDB0247859","HMDB0259285","HMDB0242164","HMDB0240624","HMDB0036592","HMDB0000619;PW_C000480;LMST04010001","HMDB0303110","HMDB0006940","HMDB0248208;LMFA01030147","HMDB0001182","HMDB0249467","HMDB0249443","HMDB0040377","HMDB0036791","HMDB0000438;HMDB0002536;LMST04010042","HMDB0302983;LMFA01170039","HMDB0247015","HMDB0038197","HMDB0247056","HMDB0010382","HMDB0006294","HMDB0304285;LMST01030132","HMDB0258881;HMDB0002000","HMDB0034507","HMDB0240262","HMDB0062652;HMDB0004670;HMDB0247599","HMDB0245600;HMDB0006283","HMDB0246231","HMDB0247706;HMDB0006270;LMFA01030120;PW_C000530;HMDB0000673;MJDBOTE0000548","HMDB0304033","HMDB0242145;HMDB0062549","HMDB0035689","HMDB0258877","HMDB0007069;PW_C003120","HMDB0240598","HMDB0001958;LMPR0104010012;PW_C001309","HMDB0007852","HMDB0038786","HMDB0276438","HMDB0009319;PW_C005367","HMDB0009088;PW_C005136;LMGP02011194","HMDB0251013","HMDB0001209","HMDB0031031;HMDB0059915","HMDB0000195;HMDB0247301;PW_C000127;MJDBOTE0000386","HMDB0061690","HMDB0060712","HMDB0114070;PW_C060087","HMDB0246398","HMDB0010169;LMSP03010003","HMDB0009815;LMGP06010010","HMDB0004649","HMDB0000706","HMDB0113862;PW_C057695","HMDB0112912;PW_C061354","HMDB0002428;MJDBOTE0000641","HMDB0244394","HMDB0011352","HMDB0009092;LMGP02010663;PW_C005140","HMDB0011354;LMGP02030028","HMDB0000774;HMDB0060382;LMST05020014","HMDB0002409","HMDB0256007","HMDB0257162","HMDB0248690","HMDB0060055","HMDB0303103","HMDB0259448","HMDB0033685;HMDB0039463;HMDB0001893;LMPR02020001;HMDB0034227;MJDBOTE0000358","HMDB0006893;PW_C002995","HMDB0255731","HMDB0029780","HMDB0036461","HMDB0253403","HMDB0030973","HMDB0298625","HMDB0245691","HMDB0092987;PW_C062176","HMDB0033984;LMST01030127","HMDB0011152","HMDB0242162","HMDB0035595;HMDB0036145","HMDB0041430","HMDB0251690","HMDB0003550","HMDB0245860","HMDB0251678","HMDB0061649","HMDB0010393","HMDB0030982","HMDB0259669","HMDB0249206;LMST04010088;HMDB0000917","HMDB0032989","HMDB0037904","HMDB0245288","HMDB0242300;HMDB0000495","HMDB0034450","HMDB0034086","HMDB0012515","HMDB0033897","HMDB0033244;MJDBOTE0001756","HMDB0037209","HMDB0038196","HMDB0040778","HMDB0000488","HMDB0036680","HMDB0030395","HMDB0000872;LMFA01170018","HMDB0037562","HMDB0260123","HMDB0245242","HMDB0029371","HMDB0252301","HMDB0304920","HMDB0031342","HMDB0059915","HMDB0246434","HMDB0001570","HMDB0032662;LMFA01050436","HMDB0060527","HMDB0000138;HMDB0000331;LMST05030001;PW_C000089","HMDB0036599","HMDB0031463","HMDB0094660","HMDB0255508","HMDB0002579;LMST05010048","HMDB0296928","HMDB0248497","HMDB0010727;PW_C006734","HMDB0014956","HMDB0242392;HMDB0000637","HMDB0246393","HMDB0062775","HMDB0250468","HMDB0029388","HMDB0255658","HMDB0010349","HMDB0259107","HMDB0038028","HMDB0001425","HMDB0303334;LMPK12050361","HMDB0037186;LMFA07011010;MJDBOTE0000288","HMDB0242009","HMDB0004483;PW_C002143","HMDB0304369;HMDB0036103;LMFA01030784","HMDB0303810","HMDB0030524","HMDB0000792;LMFA01170006","HMDB0296996","HMDB0242175","HMDB0012247;HMDB0303995","HMDB0000895;MJDBOTE0000379","HMDB0244520","HMDB0257279","HMDB0246767","HMDB0059601","HMDB0038931","HMDB0010343;PW_C040562","HMDB0245462","HMDB0254399","HMDB0255348","HMDB0060676;PW_C040604","HMDB0259924","HMDB0010350","HMDB0257787","HMDB0034757","HMDB0014897;PW_C009228;HMDB0246415","HMDB0125171","HMDB0301837","HMDB0033122","HMDB0015196","HMDB0248788","HMDB0015544","HMDB0062376","HMDB0060498","HMDB0029006","HMDB0002055","HMDB0249761","HMDB0015535;HMDB0247784","HMDB0013302","HMDB0247148","HMDB0002496","HMDB0000703;MJDBOTE0000695","HMDB0245037","HMDB0001866;PW_C001240","HMDB0031959","HMDB0245698","HMDB0033581;HMDB0303353","HMDB0000682","HMDB0061117","HMDB0254897","HMDB0000755","HMDB0005783","HMDB0000407;LMFA01050478;MJDBOTE0000595","HMDB0012210;PW_C007757","HMDB0030274","HMDB0061112;LMFA01150004","HMDB0001898","HMDB0060260","HMDB0000094;PW_C000063;MJDBNL00000139","HMDB0300249","HMDB0031262","HMDB0113990;PW_C060007","HMDB0000849;MJDBOTE0001343","HMDB0003357","HMDB0260298","HMDB0000177;PW_C000116;MJDBOTE0000427","HMDB0002776;HMDB0012481","HMDB0250531","HMDB0011529","HMDB0011523","HMDB0256157;LMGP01050127","HMDB0245511","HMDB0038380;HMDB0259285","HMDB0035495","HMDB0030185","HMDB0011511","HMDB0259324","HMDB0009649;PW_C005697","HMDB0262019","HMDB0296509","HMDB0009004;HMDB0009003","HMDB0269506","HMDB0269505","HMDB0011481","HMDB0011483","HMDB0283768","HMDB0011130","HMDB0000296;PW_C000202;MJDBOTE0000788","HMDB0030400","HMDB0001181;HMDB0006927;PW_C003009","HMDB0302281;LMFA02000142;HMDB0303981","HMDB0006898;HMDB0000637","HMDB0240219;LMFA01030076","HMDB0000145;LMST02010004;PW_C000094;HMDB0001425;MJDBOTE0000769","HMDB0000672;HMDB0000712;HMDB0304377;LMFA01170022","HMDB0000761;LMST04010003;HMDB0000717;PW_C000608","HMDB0000148;HMDB0255104;HMDB0000138","HMDB0003363;HMDB0002545;HMDB0247881;HMDB0039751","HMDB0256217","HMDB0062645;PW_C002728;HMDB0006344;MJDBOTE0000584","HMDB0000779;HMDB0000748","HMDB0037182;HMDB0303581","HMDB0030048;HMDB0030024;HMDB0251863","HMDB0004158;HMDB0001898","HMDB0244750","HMDB0304444;HMDB0003974","HMDB0001119","HMDB0029427","HMDB0246575","HMDB0000172;HMDB0000557;PW_C000112;MJDBOTE0001077","HMDB0029449;LMFA01050440","HMDB0246446","HMDB0303846","HMDB0304793;HMDB0246561","HMDB0240773;HMDB0000201","HMDB0032441","HMDB0249962","HMDB0029368","HMDB0000133;PW_C000087;MJDBOTE0000372","HMDB0011756","HMDB0002011","HMDB0001190","HMDB0000763","HMDB0303245","HMDB0035896","HMDB0000763;PW_C000609","HMDB0062765","HMDB0000064;PW_C000046;MJDBOTE0000560","HMDB0000162;PW_C000106;HMDB0251528;MJDBOTE0000527","HMDB0252491","HMDB0245159;HMDB0253265","HMDB0032914","HMDB0000904;PW_C000723;MJDBOTE0000481","HMDB0000175;HMDB0257686;PW_C000114","HMDB0253335","HMDB0000161;PW_C000105;HMDB0062251;MJDBAA00000185","HMDB0253282","HMDB0302288","HMDB0302836;LMFA02000148","HMDB0304156","HMDB0002825;PW_C001714;MJDBOTE0000804","HMDB0004827","HMDB0002151","HMDB0000786","HMDB0014340","HMDB0029698;HMDB0029697","HMDB0028690","HMDB0255641","HMDB0253927","HMDB0256804","HMDB0000630;MJDBOTE0000458","HMDB0029637","HMDB0041584","HMDB0303972","HMDB0033865","HMDB0060477","HMDB0243895","HMDB0006482;HMDB0258420","HMDB0258911","HMDB0006024;HMDB0244840","HMDB0257825","HMDB0029437","HMDB0034168","HMDB0000306;PW_C000210;MJDBOTE0000392","HMDB0246690","HMDB0012204;MJDBZSJ0000114","HMDB0034252","HMDB0302524","HMDB0257463;MJDBOTE0000899","HMDB0245117","HMDB0033923","HMDB0000210;PW_C000136;HMDB0250782;MJDBOTE0000845","HMDB0002835;HMDB0250842","HMDB0015165","HMDB0241792","HMDB0241665","HMDB0001645","HMDB0003441","HMDB0015407","HMDB0250320","HMDB0251913","HMDB0304062","HMDB0060641;PW_C040659","HMDB0251820;PW_C009479;HMDB0015182","HMDB0254160","HMDB0033629","HMDB0041855","HMDB0031159;LMFA01050511","HMDB0004185","HMDB0030452","HMDB0241046","HMDB0014376","HMDB0014447;PW_C008836;MJDBOTE0000780","HMDB0241733","HMDB0301785","HMDB0253651","HMDB0244605","HMDB0035433","HMDB0034441","HMDB0246347","HMDB0011175","HMDB0011635","HMDB0252976","HMDB0061681","HMDB0031315","HMDB0253048","HMDB0260745","HMDB0259299","HMDB0254710;HMDB0254742","HMDB0241695","HMDB0242415","HMDB0299047","HMDB0241694","HMDB0059876;HMDB0303902","HMDB0251525;HMDB0011754;MJDBOTE0001405","HMDB0011557;LMGL01010027","HMDB0028747","HMDB0257244","HMDB0304523;HMDB0001060","HMDB0000562;MJDBOTE0000819","HMDB0241079","HMDB0038503","HMDB0303975","HMDB0000197;HMDB0302181;MJDBZSJ0000111","HMDB0033505","HMDB0141782","HMDB0253410","HMDB0251826;PW_C009184;HMDB0014847","HMDB0033557","HMDB0059850","HMDB0253283","HMDB0037798","HMDB0041803","HMDB0301824","HMDB0031845","HMDB0240259","HMDB0000791;LMFA07070095","HMDB0255612","HMDB0302893","HMDB0262554","HMDB0000063;HMDB0244354","HMDB0062410","HMDB0015345;PW_C009627","HMDB0251483","HMDB0253475","HMDB0036130","HMDB0035722","HMDB0060820","HMDB0062747","HMDB0245025","HMDB0257928","HMDB0013327","HMDB0032798","HMDB0241063","HMDB0008072;LMGP01012149;PW_C004121","HMDB0260176","HMDB0241980","HMDB0118464","HMDB0245855","HMDB0302315","HMDB0247652","HMDB0013742","HMDB0001126;PW_C000880","HMDB0241333","HMDB0059622;MJDBOTE0001043","HMDB0241220","HMDB0250571","HMDB0251275","HMDB0284933","HMDB0000248;PW_C000169;MJDBOTE0001668","HMDB0004350","HMDB0241362","HMDB0029977","HMDB0267781","HMDB0269587","HMDB0255977","HMDB0256048","HMDB0282118","HMDB0061640","HMDB0039546;MJDBOTE0001217","HMDB0032477","HMDB0257459","HMDB0039241","HMDB0007171;PW_C003222","HMDB0000493","HMDB0029377;MJDBOTE0001477","HMDB0250990","HMDB0032625","HMDB0035779","HMDB0240601","HMDB0260191","HMDB0060814","HMDB0248325","HMDB0254205","HMDB0034029","HMDB0248973","HMDB0004992;PW_C002349","HMDB0036766","HMDB0270979","HMDB0258886","HMDB0244416","HMDB0001123","HMDB0008984","HMDB0114754","HMDB0010404","HMDB0255042","HMDB0037795","HMDB0242396","HMDB0241990","HMDB0010383","HMDB0013248","HMDB0060706","HMDB0241576","HMDB0252449","HMDB0255300","HMDB0005020","HMDB0029597","HMDB0302980","HMDB0038149","HMDB0303954","HMDB0241521","HMDB0034689","HMDB0010382;HMDB0256091","HMDB0010392","HMDB0245624","HMDB0001142","HMDB0251353","HMDB0001388","HMDB0262513","HMDB0013591","HMDB0269724","HMDB0248140","HMDB0014819;LMPK06000002","HMDB0282337","HMDB0244507;LMFA08010028","HMDB0295994","HMDB0034295","HMDB0295957","HMDB0013122","HMDB0013412;LMGP01020256","HMDB0032323","HMDB0246998","HMDB0000716;HMDB0000070;PW_C000567","HMDB0007121;PW_C003172","HMDB0010390","HMDB0289552","HMDB0033261","HMDB0007113;PW_C003164","HMDB0009157;PW_C005205","HMDB0009125;HMDB0009157;HMDB0009150;HMDB0009124;HMDB0009158","HMDB0258342;LMSP03010047","HMDB0056294","HMDB0009269;LMGP02010864;PW_C005317","HMDB0011221","HMDB0008133;LMGP01010932;PW_C004181","HMDB0007506;PW_C003557","HMDB0009260;PW_C005308;LMGP02010856","HMDB0240631","HMDB0040276","HMDB0304524","HMDB0059754","HMDB0114144;PW_C060161","HMDB0244841","HMDB0240620","HMDB0005779;LMGP02030003","HMDB0033601","HMDB0009196;LMGP02010757;PW_C005244","HMDB0008035;PW_C004084;LMGP01010744","HMDB0010395","HMDB0258493","HMDB0035858;MJDBOTE0000934","HMDB0012880","HMDB0255185","HMDB0002134;PW_C001435","HMDB0013674","HMDB0245026","HMDB0250067","HMDB0256449","HMDB0252136","HMDB0290733","HMDB0007973;LMGP01010594;PW_C004022","HMDB0268134","HMDB0253990","HMDB0282951","HMDB0283746","HMDB0261851","HMDB0013464","HMDB0008641;PW_C004689","HMDB0258483","HMDB0012092","HMDB0089510;PW_C088300","HMDB0008751","HMDB0304659;HMDB0304306","HMDB0009816","HMDB0267283","HMDB0007535;PW_C003586","HMDB0059708","HMDB0008388;PW_C004436","HMDB0008100;LMGP01010884;PW_C004149","HMDB0302747","HMDB0060117","HMDB0007969;PW_C004018;LMGP01010566","HMDB0247288;HMDB0246621;HMDB0006528;LMFA01030184","HMDB0008754","HMDB0007905;PW_C003955","HMDB0257932","HMDB0114645;PW_C060675","HMDB0008173;PW_C004221;LMGP01011655","HMDB0008773;PW_C004821","HMDB0030020","HMDB0032231","HMDB0009685;PW_C005733","HMDB0031217;HMDB0251174","HMDB0250896","HMDB0245076","HMDB0008069;PW_C004118;LMGP01010840","HMDB0056058","HMDB0040615","HMDB0302897","HMDB0011566","HMDB0035085","HMDB0015542","HMDB0011148","HMDB0010391","HMDB0008576;PW_C004624","HMDB0012089;LMSP03010031","HMDB0008126","HMDB0011559","HMDB0010382;LMGP01050018","HMDB0007329;PW_C003380","HMDB0242470","HMDB0011129","HMDB0002107;MJDBOTE0000627","HMDB0014643;PW_C009003","HMDB0303713","HMDB0266349","HMDB0010385","HMDB0254904","HMDB0032052","HMDB0001565","HMDB0011475","HMDB0010381;HMDB0010375","HMDB0010403","HMDB0242459","HMDB0001988","HMDB0288690","HMDB0242528","HMDB0298895","HMDB0303184","HMDB0002126;LMST01010213","HMDB0304465","HMDB0243661;HMDB0014441;PW_C008830","HMDB0000734","HMDB0302725","HMDB0012082","HMDB0037906","HMDB0040954","HMDB0037606","HMDB0249793","HMDB0245012","HMDB0241347","HMDB0035075","HMDB0112341;PW_C060740","HMDB0250960","HMDB0032064","HMDB0249870","HMDB0249839","HMDB0244951","HMDB0240678;LMSP02010020","HMDB0244614","HMDB0246557","HMDB0249462","HMDB0041466","HMDB0029312","HMDB0275428","HMDB0194871","HMDB0250305","HMDB0250266;LMST01130032","HMDB0013539","HMDB0241937;LMFA08020136","HMDB0031313","HMDB0277890","HMDB0242089","HMDB0259950","HMDB0000944;HMDB0304269;LMFA01010022","HMDB0011493","HMDB0260155","HMDB0002068","HMDB0251308","HMDB0253675","HMDB0014888;PW_C009221;MJDBOTE0000873","HMDB0245002","HMDB0034171","HMDB0040339","HMDB0001008;PW_C000797","HMDB0002004","HMDB0000712;LMFA07070007","HMDB0302362","HMDB0251939","HMDB0288769","HMDB0241316","HMDB0255129","HMDB0248708;MJDBOTE0001286","HMDB0240777;LMFA07070085","HMDB0010320","HMDB0072878","HMDB0015363","HMDB0303271","HMDB0032100","HMDB0247862","HMDB0253391","HMDB0091613;PW_C096017","HMDB0241225","HMDB0245753","HMDB0081408;PW_C087184","HMDB0035337","HMDB0302259","HMDB0257199","HMDB0246944","HMDB0252807","HMDB0012154","HMDB0032959","HMDB0030251","HMDB0250394","HMDB0034714","HMDB0035601","HMDB0246031;HMDB0038120","HMDB0036117","HMDB0040986","HMDB0034244","HMDB0253125","HMDB0000796","HMDB0302242","HMDB0002214","HMDB0031688","HMDB0245920","HMDB0060916","HMDB0259248","HMDB0245059","HMDB0251519","HMDB0061635","HMDB0011496","HMDB0002596;LMST05010046","HMDB0241741","HMDB0304214","HMDB0030386","HMDB0248037","HMDB0013704","HMDB0241764","HMDB0014399;PW_C008796;HMDB0303043;LMPK07000001;MJDBOTE0001556","HMDB0246399","HMDB0247232","HMDB0259191","HMDB0249592","HMDB0038154","HMDB0301803","HMDB0034335","HMDB0141782;MJDBOTE0001257","HMDB0035873","HMDB0253757","HMDB0001161;PW_C000899","HMDB0000671","HMDB0247293","HMDB0013033","HMDB0256220","HMDB0243893","HMDB0258746","HMDB0251835","HMDB0272012","HMDB0030527","HMDB0038232","HMDB0290519","HMDB0258266","HMDB0014450","HMDB0250835","HMDB0000073;PW_C000052;MJDBSJD0000070","HMDB0281039","HMDB0290572","HMDB0112339;PW_C060738;LMGP03010160","HMDB0033967","HMDB0281030","HMDB0014366","HMDB0290329","HMDB0241477","HMDB0290332","HMDB0254035","HMDB0241721","HMDB0011174","HMDB0254723;HMDB0254730;HMDB0242623;HMDB0254721","HMDB0028953","HMDB0245045","HMDB0061026","HMDB0000756","HMDB0015539;MJDBOTE0000864","HMDB0061165","HMDB0250252","HMDB0253029","HMDB0304619","HMDB0272225","HMDB0252427","HMDB0034706;LMST01010105","HMDB0250581;LMST01010107","HMDB0248350","HMDB0242753","HMDB0252688","HMDB0035737","HMDB0252691","HMDB0000714;MJDBOTE0000525","HMDB0012214","HMDB0001894;MJDBOTE0001640","HMDB0248358","HMDB0301685","HMDB0001847;PW_C001222","HMDB0241709","HMDB0252174","HMDB0011171","HMDB0030396","HMDB0002335;HMDB0028761","HMDB0004823","HMDB0029225","HMDB0028822","HMDB0301947","HMDB0061115","HMDB0060805","HMDB0000159;HMDB0250791;PW_C000104;MJDBAA00000196","HMDB0246522","HMDB0252556","HMDB0011128;HMDB0254271","HMDB0003831","HMDB0000402","HMDB0040551","HMDB0302178","HMDB0030588;LMPK10000001","HMDB0301841","HMDB0002184","HMDB0254633","HMDB0304781;HMDB0028893","HMDB0256256","HMDB0254689;HMDB0015052;MJDBOTE0001439","HMDB0256598","HMDB0012130","HMDB0011741","HMDB0243809;HMDB0256762","HMDB0302052","HMDB0041942","HMDB0032619","HMDB0002039","HMDB0002013","HMDB0304423","HMDB0244840","HMDB0006224;PW_C002671","HMDB0028896","HMDB0304653","HMDB0244397","HMDB0244560","HMDB0010715","HMDB0011655","HMDB0011648;HMDB0011643","HMDB0000824;PW_C000658;LMFA07070105","HMDB0004194;PW_C002087","HMDB0241652","HMDB0012175;LMFA01030987","HMDB0001476;PW_C001137;MJDBSJD0000090","HMDB0304046;HMDB0011657","HMDB0245165","HMDB0125166","HMDB0000687;PW_C000540;MJDBOTE0001078","HMDB0000206","HMDB0248282","HMDB0028876","HMDB0001370","HMDB0254501","HMDB0000292;PW_C000198;MJDBOTE0000403","HMDB0012915;MJDBOTE0001211","HMDB0253028","HMDB0000089;PW_C000061;HMDB0248553;MJDBOTE0000789","HMDB0034365","HMDB0002104;PW_C001415","HMDB0004193;PW_C002086","HMDB0011718;MJDBOTE0000554","HMDB0000716;HMDB0000070;MJDBOTE0000664","HMDB0247704","HMDB0062735","HMDB0258458","HMDB0030158","HMDB0012151","HMDB0015654","HMDB0245299;HMDB0258628;HMDB0003441;MJDBOTE0001083","HMDB0035924;HMDB0245392","HMDB0061927","HMDB0002031;PW_C001363","HMDB0001106;PW_C000866","HMDB0006009","HMDB0245814","HMDB0012815","HMDB0240653","HMDB0302844","HMDB0301757;HMDB0000182;PW_C000118;MJDBOTE0000528","HMDB0302463","HMDB0002038","HMDB0255374","HMDB0246210","HMDB0001325;PW_C001022","HMDB0243804","HMDB0262097","HMDB0246945","HMDB0000300;PW_C000204;MJDBOTE0000838","HMDB0247390","HMDB0284795","HMDB0266311","HMDB0261747","HMDB0115544;PW_C063929;LMGP10010576","HMDB0010396","HMDB0037286","HMDB0112578;LMGP03010577;PW_C060991","HMDB0089074;PW_C087674","HMDB0242392;HMDB0000637;LMST05030008;MJDBOTE0001174","HMDB0252828","HMDB0250490","HMDB0038510","HMDB0010407","HMDB0288861","HMDB0008360","HMDB0012108","HMDB0243890","HMDB0006734;HMDB0006750;LMSP0501AB03","HMDB0008244;PW_C004292","HMDB0008247;PW_C004295","HMDB0008462;PW_C004510","HMDB0240613","HMDB0011392","HMDB0008265;PW_C004313;LMGP01011002","HMDB0039014;HMDB0250880","HMDB0037636","HMDB0240636","HMDB0297237","HMDB0258433;LMSP01080032","HMDB0270141","HMDB0013286","HMDB0011541","HMDB0244716","HMDB0284068","HMDB0262134","HMDB0262214","HMDB0266041","HMDB0040505","HMDB0062645","HMDB0245648","HMDB0004041","HMDB0000062;PW_C000044;MJDBOTE0000806","HMDB0000168;HMDB0251512;PW_C000110;MJDBOTE0000518","HMDB0000925;MJDBOTE0000569","HMDB0250675","HMDB0240687;LMFA01060168","HMDB0041592;HMDB0002641","HMDB0060661;PW_C040679","HMDB0304270;HMDB0013676;HMDB0001870;HMDB0006115;HMDB0004461;HMDB0013677;HMDB0303719;MJDBOTE0000832","HMDB0000631;PW_C000491","HMDB0251427;HMDB0249243","HMDB0252329;LMST02030122;HMDB0002802","HMDB0015444;HMDB0253154","HMDB0035924;HMDB0000738","HMDB0000195;HMDB0029737;HMDB0000197;MJDBSJD0000088","HMDB0010384;HMDB0011149","HMDB0001470;HMDB0032385","HMDB0014998;HMDB0254661","HMDB0002035;HMDB0003654;HMDB0030677","HMDB0000228;HMDB0013674;PW_C000153","HMDB0034240","HMDB0000930;HMDB0000567","HMDB0041922;HMDB0259195"],"LIPID MAPS":["LMFA01050243","LMST02020007;PW_C000037;HMDB0000053","LMST05010029;HMDB0002472","LMST05010064;HMDB0010327","LMFA01030036;HMDB0033724","LMFA01170002;HMDB0000933","LMFA07011020;HMDB0029888","LMFA01050484;HMDB0002261","LMGP02050004","LMGP02050001","LMST04030035;HMDB0001457","LMFA01170051;HMDB0000857","LMST01010204;HMDB0304158","LMFA01030092;HMDB0002368;HMDB0303950","LMGP02011264;HMDB0009078;PW_C005126","LMGP01012103;HMDB0008726;PW_C004774","LMGP02011142;HMDB0009684;PW_C005732","LMGP02030005","LMGP02010943;HMDB0009387;PW_C005435","LMSP03010038;HMDB0240608","LMGP02010010;HMDB0008926;PW_C004974","LMFA01010010;HMDB0000511;PW_C000391","LMGP02010669;PW_C005145;HMDB0009097","LMGP02030005;HMDB0011394","LMGP02010096;PW_C004985;HMDB0008937","LMGP02010095;HMDB0008946;PW_C004994","LMFA01050352;HMDB0000227;PW_C000152","LMST01030120;HMDB0304225","LMGP02050002;HMDB0011503","LMST04030067;HMDB0002195","LMGP01050137;HMDB0010386","LMFA01030158;HMDB0247333;HMDB0002925","LMST04030158;HMDB0062400","LMPR0103460001;HMDB0030016","LMGP02050028;HMDB0243971","LMST05010059;LMST05010036;HMDB0010359","LMST05010044;HMDB0002577","LMST05010032;HMDB0010338","LMST05020030;HMDB0002498","LMST02030001;HMDB0000063;PW_C000045;MJDBOTE0000771","LMFA01170001;HMDB0000893;MJDBOTE0000630","LMST05010067;HMDB0010357","LMGP06010956;HMDB0009809","LMGP01011424;PW_C003999;HMDB0007949","LMGP02011193;HMDB0009090;PW_C005138","LMST05010055;HMDB0010351;LMST05010030","LMFA01170009;HMDB0000623;HMDB0000933;MJDBOTE0000650","LMFA01100040;HMDB0003355","LMFA08010013;HMDB0015168","LMFA07070087;HMDB0061677","LMST05030006;HMDB0000631;HMDB0242414;MJDBDZS0000011","LMFA07070031;HMDB0013161","LMST01080006;HMDB0034391","LMFA07050318;HMDB0062217","LMFA06000051;HMDB0245269;HMDB0004362","LMPK12050038;HMDB0003312;MJDBOTE0000779","LMFA07070002;HMDB0000791","LMFA01010014;HMDB0000806;PW_C000643","LMFA07070084;HMDB0240776","LMFA07070107;HMDB0254979;HMDB0005066;LMFA07070102","LMFA01010020;HMDB0002212","LMGP01012147;HMDB0008068;PW_C004117","LMGP01011819;HMDB0008304;PW_C004352","LMST01010089;HMDB0001170;HMDB0302345","LMGP01011377;HMDB0007888;PW_C003938","LMSP03010044;HMDB0240609","LMGP03010553;PW_C060970;HMDB0112558","LMGP01011839;PW_C004378;HMDB0008330","LMGP01011677;HMDB0008199;PW_C004247","LMGP01050026;HMDB0010384","LMGP01050056","LMPR0102090010;HMDB0003647","LMFA07090006;HMDB0112119","LMFA07070043;HMDB0240769","LMFA07070079;LMFA07070004;HMDB0240774;PW_C000147;HMDB0000222","LMGP01011373;PW_C003930;HMDB0007880","LMFA07070110;HMDB0013321","LMFA07070059;HMDB0000651","LMPK12010001;HMDB0003074","LMPR0104170027;HMDB0304364","LMFA01030946;HMDB0013903","LMGP03010820;HMDB0012441;PW_C007968","LMFA03020042;HMDB0012501","LMPR01070264;HMDB0003154","LMGP01050034","LMGP01010947;PW_C004204;HMDB0008156","LMSP03010035;HMDB0240616","LMGP02011138;HMDB0009683;PW_C005731","LMFA01010012;HMDB0303347;HMDB0000638;PW_C000497;HMDB0002262;HMDB0303348"]}}