Feature identification was done with the use of the multi-analyte reference standard mix in Sciex OS-Q. Features were then annotated in MS-Dial using the MONA spectral database (MassBank of North America). Features were further annotated with in silico fragmentation using MS-Finder.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse phase","Liquid Chromatography MS - positive - reverse phase"],"chromatography_protocol":["For chromatographic separation an Agilent 1290 Infinity II UHPLC system was used with an ACQUITY UPLC HSS T3 (1.8 µm, 2.1 mm x 100 mm; Waters) reverse phase column and a Waters Vanguard pre-column. For LC-MS/MS parameters the published protocol as described in Krausová et al. (2024, Environ. Int.)[1] was used. The mobile phase consisted of aqueous eluent A: H2O with 5mM NH4Ac and 0.1% acetic acid and organic eluent B: 100% methanol with a flow rate of 0.4 mL/min. The injection volume was 5 µL. The elution gradient started with 10% B until 0.2 min, then, B was gradually increased to 45% (0.5 min), 55% (1.5 min), 70% (4.0 min) and 85% (5.5 min). Lastly, B was raised to 95% (5.6 min) which was maintained for 2.9 min before re-equilibration to starting conditions for 1.3 min.
[1] Krausova, M., Ayeni, K. I., Gu, Y., Borutzki, Y., Bryan, J. O., Perley, L., Silasi, M., Wisgrill, L., Johnson, C. H., & Warth, B. (2024). Longitudinal biomonitoring of mycotoxin exposure during pregnancy in the Yale Pregnancy Outcome Prediction Study. Environment International, 194, 109081.
"],"publication":["Biomonitoring of mycotoxins and exposomics-informed profiling in extreme preterm infants from the NeoVIP cohort."],"submitter_affiliation":["University of Vienna"],"submitter_name":["Tina Rajkovic"],"organism_part":["Plasma"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["The plasma samples were processed as described in Krausová et al. (2024, Environ. Int.)[1] Briefly, 80 µL aliquots of plasma were extracted by adding 320 µL extraction solvent (ACN:MeOH, 1:1, v:v), vortexing (1 min) and sonicating on ice (10 min). Samples were put in the freezer (-20°C) for 2h for protein precipitation. Subsequently, the samples were centrifuged (10 min, 18,000 x g, 4°C) and the supernatants (300 µL) were dried overnight in a vacuum concentrator. The dried extracts were reconstituted in 60 µL dilution solvent (10% ACN), vortexed and centrifuged for 4 min (18,000 x g, 4°C). After centrifugation the samples were transferred to amber-LC vials with micro-inserts.
For quality control a pooled sample of the plasma was prepared and injected at intervals of five plasma samples to monitor measurement stability and retention time fluctuations. Additionally, a multi-analyte standard comprising of 223 xenobiotics at two concentration levels (10 ng/mL and 100 ng/mL) was injected at the beginning and end of the sequence. Process blanks consisting of water were prepared in triplicates to account for the sample preparation procedure.
[1] Krausova, M., Ayeni, K. I., Gu, Y., Borutzki, Y., Bryan, J. O., Perley, L., Silasi, M., Wisgrill, L., Johnson, C. H., & Warth, B. (2024). Longitudinal biomonitoring of mycotoxin exposure during pregnancy in the Yale Pregnancy Outcome Prediction Study. Environment International, 194, 109081.
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14832"],"author":["Benedikt Warth. University of Vienna. benedikt.warth@univie.ac.at.","Tina Rajkovic. University of Vienna. tina.rajkovic@univie.ac.at.","Magdaléna Krausová.","Lukas Wisgrill.","Angelika Berger.","Kolawole Ayeni."],"data_transformation_protocol":["The acquired raw data was converted to mzML file format using ProteoWizard (Chambers et al., 2012). Compound annotation and identification was done as described by (Schymanski et al., 2014).[1] DDA data were processed using Sciex OS–Q (v3.0) and MS-Dial (v 4.9.221218) (Tsugawa et al., 2015). MS-Finder was used for in-silico fragmentation. Detailed MS-Dial analysis parameters are described in Supplementary information SI Table S7. Peak areas from Sciex OS-Q and MS-Dial were imported into MetaboAnalyst and R studio for further processing.
[1] Schymanski, E. L., Jeon, J., Gulde, R., Fenner, K., Ruff, M., Singer, H. P., & Hollender, J. (2014). Identifying small molecules via high resolution mass spectrometry: Communicating confidence. Environmental Science and Technology, 48(4), 2097–2098. https://doi.org/10.1021/es5002105
"],"study_factor":["Timepoint"],"submitter_email":["tina.rajkovic@univie.ac.at"],"sample_collection_protocol":["Plasma samples were collected from extremely premature infants (gestational age <30 weeks and birth weight <1 kg) born in Vienna, Austria at two time points, 7 and 28 days post-delivery. They were provided by the Department of Neonatology, Pediatric Intensive Care and Neuropediatrics at the Medical University of Vienna and stored at -80 °C. For the non-targeted evaluation both time point samples from ten extremely prematurely born infants were used, resulting in a total of 20 plasma samples. All parents gave written-informed consent prior to study inclusion. The performed research complied with all relevant ethical regulations and was approved by the ethics committee of the Medical University of Vienna (no. 1061/2021).
"],"omics_type":["Metabolomics"],"study_design":["Plasma","Public Health","untargeted analysis","Agilent 1290 Infinity II LC","Neonatology","Homo sapiens","Exposome","AB SCIEX ZenoTOF 7600","Paediatrics","experimental sample"],"curator_keywords":["Plasma","Public Health","untargeted analysis","Agilent 1290 Infinity II LC","Neonatology","Homo sapiens","Exposome","AB SCIEX ZenoTOF 7600","Paediatrics","experimental sample"],"mass_spectrometry_protocol":["MS/MS analysis was performed on the AB SCIEX ZenoTOF 7600 with an electrospray ionization ion source. The MS was operated in both positive and negative ionization mode, one after the other. The source parameters consisted of a CAD gas of 9 arb. unit, a curtain gas of 35 psi, an ion source gas 1 and 2 of 50 psi, a source temperature of 550°C, and a spray voltage of +/-4500 V. The TOF MS was operated with a scan window of m/z 100 to 1000, an accumulation time of 0.2 s, a declustering potential of +/-80 V, and a collision energy of +/-10 V.
"],"metabolite_name":["Corticosterone","Phenylalanylphenylalanine","Candesartan","1-Lauroyl-2-hydroxy-sn-glycero-3-phosphocholine","4-AMINOPHENOL","Sinapoylcholine","Ochratoxin A","Arachidonoyl-carnitine","O-octenoylcarnitine","Clindamycin sulfoxide","4-Methylbenzophenone","1-carbapenem-3-carboxylic acid","INDOLE","Norharman","5-Hydroxymethylfurfural","N-Desmethyltramadol","2-Naphthylamine","Diazepam","3-Indoleacrylic acid","5?-CHOLANIC ACID-3?-OL-6, 7-DIONE","Norfentanyl","2-Ketobutyric acid","Harman","Vanillylmandelic acid","N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-2-furancarboxamide","1,5-Naphthalenediamine","L-Proline","Propionylcarnitine","Valeryl-carnitine","Linoleyl-carnitine","Acetaminophen","Ampicillin","Cyclo-prolylglycine","Sphinganine 1-phosphate","Nicotinamide","S-Adenosyl-L-homocysteine","N-(9-oxodecyl)acetamide","Phenylacetaldehyde","2-Benzothiazolesulfonic acid","Diethyl phthalate","RIBOFLAVIN","5-Hydroxyindoleacetic acid","NICOTINURIC ACID","4-Methylcoumarin","M1G","Dicyclohexylamine","Hexanoyl-L-Carnitine","NCGC00381413-01!4-hydroxy-3,6-dimethylpyran-2-one","4-Formylaminoantipyrine","Clindamycin","6-beta-Hydroxycortisol","Leucyl-leucine","Proline-hydroxyproline","URACIL","Jasmonic Acid","Piperine","1-Methylnicotinamide","1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE","Pyridoxamine","4-Hydroxy-1-(2-hydroxyethyl)-2,2,6,6-tetramethylpiperidine","Palmitoleoyl Ethanolamide","2-(hydroxymethyl)-4-[methyl(propyl)amino]-5-{[(oxan-4-yl)amino]methyl}oxolan-3-ol","Phenylalanine","Myristoyl-carnitine","2-PHENYLACETAMIDE","Caffeic acid","Fluometuron","ATENOLOL","7-Methylguanine","Testosterone","Temazepam","Flutamide","Linezolide","HYPOXANTHINE","S-succinylcysteine","Doxapram","CREATININE","Phenylphosphoric acid","Lidocaine","4-AMINOBUTANOIC ACID","Octenoyl-carnitine","Trans-3-hydroxy-cotinine","Dydrogesterone","Budesonide","Taurocholate","Benzeneacetonitrile","Theobromine","Milrinone","Glutamylphenylalanine","4-Androsten-11beta-ol-3,17-dione","Diphenylamine","Primin","1,3,7-Trimethyluric acid","alpha-Methylhistidine","3-Methylxanthine","LAUROYLCARNITINE","Benzo(f)quinoline","Cyclohexanamine","Cotinine","Valerophenone","D-(+)-Glucosamine hydrochloride","Choline chloride","Choline phosphate","Morphine_3_Glucuronide","Adrenosterone","4-Methylphthalic anhydride","5-S-Methylthioadenosine","N1-Methyl-2-pyridone-5-carboxamide","6-Methyladenosine","CYTOSINE","4-Hydroxyquinoline","1,2-Diphenylethanone","Diosgenin","Zolpidem","1,3-Dimethylpteridine-2,4-dione","Diatrizoate","alpha-Cyperone","Nicotine","Enterolactone","PHENYLACETYL-GLUTAMINE","Benzothiazole","N6-(delta2-Isopentenyl)adenine;2iP","N-Acetyl Mesalazine","1-Methylhistidine","N-Cyclohexylformamide","Isobutyryl-carnitine","Dihydrothymine","L-Carnitine","1-pentadecanoyl-2-hydroxy-sn-glycero-3-phosphocholine","DECANOYLCARNITINE","4-Androstene-3,17-dione","Adenosine","Pantoprazole","1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine","N-Acetyltryptophan","5-Methylcytosine hydrochloride","Acebutolol","3,6,9,12-Tetraoxatetracosan-1-ol","2-Hydroxycinnamic acid","sn-Glycero-3-phosphocholine 1:1 cadmium chloride adduct","REICHSTEIN'S SUBSTANCE S","Indole-3-carboxylic acid","Linolenic acid","Dicyclohexylurea","N-(n-octyl)-2-pyrrolidinone","Isatin","1-(3-carboxypropyl)-3,7-dimethylxanthine","N6-Threonylcarbamoyladenosine","2-Hydroxybenzonitrile","Progesterone","Midazolam","ADENOSINE 3',5'-CYCLIC MONOPHOSPHATE","N-Cyclohexyl-2-benzothiazol-amine","Flecainide","HYDROQUINONE","Betamethasone","7-ethenyl-1,4a,7-trimethyl-6-oxo-2,3,4,8,8a,9,10,10a-octahydrophenanthrene-1-carboxylic acid","2-Aminoacetophenone","Ethylenediaminetetraacetic acid EDTA"],"additional_accession":[]},"is_claimable":false,"name":"Biomonitoring of mycotoxins and exposomics-informed profiling in extreme preterm infants from the NeoVIP cohort","description":"Extremely premature infants are a highly vulnerable patient group that might be exposed to a vast number of dietary and environmental contaminants, which may impact their health trajectories. This study assessed xenobiotic exposures in 26 extremely premature infants, with a special focus on dietary mycotoxins, using a dual analytical approach combining four sensitive, targeted LC-MS/MS methods and one non-targeted high-resolution mass spectrometry (HR-MS) assay. A total of 187 matched biological samples comprising breast milk (n=35), plasma (n=48), urine (n=52), and stool (n=52) collected at 7 and 28 days post-partum were subjected to mycotoxin analysis by quantitative LC-MS/MS. In addition, the LC-HRMS workflow using data-dependent MS2 acquisition was applied to a small subset of 20 selected plasma samples to provide first insights into a broader chemical exposure characterization through suspect screening and non-targeted analysis (NTA). The targeted analyses revealed that most mycotoxin exposure biomarkers were absent in the samples. However, ochratoxin A was quantified in all breast milk and plasma samples (median values of 43 ng/L and 135 ng/L) and in 27% of urine samples (median: 20 ng/L). Citrinin was detected in 34% of breast milk and 6% of stool samples (median values of 10 ng/L and 2.5 ng/g). Alternariol monomethyl ether was detected in 94% of breast milk, 12% of stool, and 31% of tested urine specimens (median values of 1.2 ng/L, 1.2 ng/g, and 12 ng/L). In the non-targeted analysis, 356 features were annotated with confidence Levels 2a, 2b, and 3, while 20 compounds were identified at Level 1 with authentic reference standards. This included key toxicants like per- and polyfluorinated substances (PFAS), bisphenol A, cotinine, and phthalates. Albeit a small cohort, this study demonstrated that extremely premature infants were exposed to a mixture of dietary, environmental, and lifestyle-related exposures. While many of the analyzed mycotoxins, including the carcinogenic aflatoxins, were not detected and indicated low overall mycotoxin exposure, plastics- and industry-related chemicals were detected at comparatively high levels, warranting further investigation into their potential health implications.
","dates":{"publication":"2026-06-23","submission":"2026-06-23"},"accession":"MTBLS14832","cross_references":{"MetaboLights":["MTBLC17043","MTBLC34432","MTBLC33216","MTBLC34575","MTBLC5855","MTBLC88735","MTBLC31835","MTBLC132607","MTBLC44237","MTBLC70856","MTBLC39421","MTBLC35549","MTBLC32063","MTBLC139443","MTBLC68441","MTBLC68444","MTBLC62833","MTBLC30895","MTBLC68465","MTBLC59783","MTBLC34292","MTBLC172453","MTBLC17385","MTBLC27849","MTBLC32636","MTBLC16708","MTBLC32797","MTBLC17053","MTBLC17650","MTBLC16962","MTBLC28125","MTBLC28364","MTBLC156187","MTBLC47426","MTBLC33198","MTBLC42717","MTBLC57595","MTBLC88405","MTBLC5778","MTBLC28238","MTBLC43580","MTBLC24813","MTBLC58315","MTBLC30796","MTBLC46477","MTBLC21563","MTBLC46905","MTBLC28177","MTBLC17596","MTBLC64554","MTBLC46823","MTBLC72783","MTBLC68447","MTBLC68449","MTBLC68454","MTBLC30835","MTBLC17405","MTBLC16947","MTBLC34693","MTBLC53487","MTBLC16813","MTBLC18089","MTBLC43355","MTBLC72782","MTBLC19289","MTBLC132958","MTBLC70984","MTBLC17802","MTBLC48517","MTBLC18107","MTBLC10072","MTBLC8946","MTBLC17409","MTBLC10319","MTBLC181533","MTBLC32635","MTBLC17597","MTBLC83501","MTBLC30746","MTBLC181292","MTBLC35699","MTBLC15964","MTBLC16814","MTBLC149776","MTBLC16750","MTBLC145223","MTBLC57959","MTBLC45599","MTBLC19062","MTBLC21547","MTBLC16914","MTBLC135234","MTBLC30817","MTBLC170241","MTBLC75331","MTBLC85208","MTBLC189453","MTBLC173473","MTBLC173570","MTBLC64830","MTBLC34240","MTBLC42017","MTBLC71157","MTBLC182363","MTBLC52364","MTBLC27440","MTBLC30754","MTBLC16008","MTBLC115196","MTBLC1148","MTBLC86543","MTBLC89609","MTBLC16104","MTBLC16831","MTBLC37084","MTBLC17445","MTBLC133559","MTBLC74742","MTBLC71018","MTBLC18101","MTBLC48541","MTBLC192726","MTBLC41500","MTBLC42578","MTBLC89830","MTBLC32806","MTBLC16530","MTBLC133101","MTBLC168762","MTBLC85148","MTBLC74099","MTBLC133199","MTBLC17626","MTBLC41879","MTBLC53488","MTBLC18243","MTBLC87503","MTBLC17620","MTBLC68433","MTBLC16015","MTBLC17587","MTBLC45571","MTBLC33070","MTBLC81256","MTBLC144261","MTBLC30838","MTBLC144171","MTBLC17351","MTBLC58045","MTBLC16643","MTBLC17231","MTBLC173749","MTBLC70824","MTBLC73688","MTBLC70989","MTBLC17786","MTBLC183705","MTBLC134021","MTBLC18135","MTBLC28054","MTBLC133086","MTBLC48416","MTBLC39567","MTBLC30915","MTBLC40813","MTBLC17847","MTBLC32374","MTBLC87986","MTBLC82914","MTBLC27905","MTBLC135132","MTBLC50212","MTBLC17381","MTBLC40116","MTBLC27601","MTBLC32114","MTBLC16464","MTBLC64557","MTBLC16359","MTBLC15741","MTBLC507393","MTBLC17821","MTBLC27607","MTBLC73018","MTBLC79966","MTBLC15760","MTBLC27510","MTBLC16704","MTBLC9927","MTBLC30816","MTBLC172318","MTBLC296881","MTBLC72641","MTBLC138295","MTBLC72801","MTBLC72643","MTBLC412516","MTBLC46195","MTBLC28971","MTBLC68641","MTBLC34698","MTBLC7719","MTBLC71182","MTBLC177946","MTBLC86052","MTBLC53003","MTBLC77726","MTBLC74966","MTBLC16797","MTBLC131924","MTBLC190965","MTBLC18125","MTBLC17602","MTBLC27967","MTBLC16422","MTBLC83526","MTBLC182655","MTBLC15815","MTBLC27823","MTBLC17509","MTBLC139271","MTBLC17489","MTBLC2495","MTBLC70960","MTBLC2904","MTBLC3077","MTBLC3207","MTBLC3347","MTBLC18132","MTBLC3745","MTBLC216047","MTBLC68830","MTBLC49575","MTBLC34694","MTBLC93429","MTBLC27468","MTBLC681848","MTBLC31527","MTBLC4735","MTBLC75984","MTBLC5132","MTBLC82966","MTBLC84834","MTBLC17594","MTBLC16881","MTBLC24809","MTBLC84838","MTBLC77086","MTBLC16347","MTBLC6418","MTBLC63607","MTBLC84098","MTBLC50693","MTBLC84634","MTBLC170045","MTBLC21440","MTBLC89810","MTBLC191148","MTBLC17154","MTBLC17688","MTBLC62685","MTBLC71012","MTBLC71465","MTBLC7915","MTBLC17884","MTBLC28821","MTBLC74767","MTBLC28867","MTBLC28324","MTBLC17015","MTBLC57856","MTBLC194386","MTBLC157780","MTBLC17347","MTBLC17568","MTBLC85095","MTBLC691622","MTBLC104022","MTBLC194657","MTBLC181087","MTBLC62207","MTBLC16865","MTBLC181291","MTBLC46894","MTBLC45993","MTBLC16827","MTBLC16737","MTBLC15773","MTBLC16040","MTBLC4640","MTBLC5623","MTBLC17368","MTBLC27539","MTBLC6931","MTBLC16734","MTBLC16424","MTBLC28044","MTBLC37548","MTBLC17026","MTBLC16893","MTBLC9435","MTBLC28946","MTBLC78226","MTBLC27878","MTBLC16562","MTBLC2379","MTBLC189711","MTBLC15354","MTBLC4629","MTBLC615","MTBLC50599","MTBLC30831","MTBLC90333","MTBLC139135","MTBLC27551","MTBLC21891","MTBLC16335","MTBLC190005","MTBLC25979","MTBLC17395","MTBLC47977","MTBLC53691","MTBLC81555","MTBLC82012","MTBLC6456","MTBLC27432","MTBLC60039","MTBLC181345","MTBLC183762","MTBLC117179","MTBLC27410","MTBLC17660","MTBLC17945","MTBLC172338","MTBLC7563","MTBLC109895","MTBLC8413","MTBLC16410","MTBLC16353","MTBLC36812","MTBLC10125"],"ChEBI":["CHEBI:17043","CHEBI:34432","CHEBI:33216","CHEBI:34575","CHEBI:5855","CHEBI:88735","CHEBI:31835","CHEBI:132607","CHEBI:44237","CHEBI:70856","CHEBI:39421","CHEBI:35549","CHEBI:32063","CHEBI:139443","CHEBI:68441","CHEBI:68444","CHEBI:62833","CHEBI:30895","CHEBI:68465","CHEBI:59783","CHEBI:34292","CHEBI:172453","CHEBI:17385","CHEBI:27849","CHEBI:32636","CHEBI:16708","CHEBI:32797","CHEBI:17053","CHEBI:17650","CHEBI:16962","CHEBI:28125","CHEBI:28364","CHEBI:156187","CHEBI:47426","CHEBI:33198","CHEBI:42717","CHEBI:57595","CHEBI:88405","CHEBI:5778","CHEBI:28238","CHEBI:43580","CHEBI:24813","CHEBI:58315","CHEBI:30796","CHEBI:46477","CHEBI:21563","CHEBI:46905","CHEBI:28177","CHEBI:17596","CHEBI:64554","CHEBI:46823","CHEBI:72783","CHEBI:68447","CHEBI:68449","CHEBI:68454","CHEBI:30835","CHEBI:17405","CHEBI:16947","CHEBI:34693","CHEBI:53487","CHEBI:16813","CHEBI:18089","CHEBI:43355","CHEBI:72782","CHEBI:19289","CHEBI:132958","CHEBI:70984","CHEBI:17802","CHEBI:48517","CHEBI:18107","CHEBI:10072","CHEBI:8946","CHEBI:17409","CHEBI:10319","CHEBI:181533","CHEBI:32635","CHEBI:17597","CHEBI:83501","CHEBI:30746","CHEBI:181292","CHEBI:35699","CHEBI:15964","CHEBI:16814","CHEBI:149776","CHEBI:16750","CHEBI:145223","CHEBI:57959","CHEBI:45599","CHEBI:19062","CHEBI:21547","CHEBI:16914","CHEBI:135234","CHEBI:30817","CHEBI:170241","CHEBI:75331","CHEBI:85208","CHEBI:189453","CHEBI:173473","CHEBI:173570","CHEBI:64830","CHEBI:34240","CHEBI:42017","CHEBI:71157","CHEBI:182363","CHEBI:52364","CHEBI:27440","CHEBI:30754","CHEBI:16008","CHEBI:115196","CHEBI:1148","CHEBI:86543","CHEBI:89609","CHEBI:16104","CHEBI:16831","CHEBI:37084","CHEBI:17445","CHEBI:133559","CHEBI:74742","CHEBI:71018","CHEBI:18101","CHEBI:48541","CHEBI:192726","CHEBI:41500","CHEBI:42578","CHEBI:89830","CHEBI:32806","CHEBI:16530","CHEBI:133101","CHEBI:168762","CHEBI:85148","CHEBI:74099","CHEBI:133199","CHEBI:17626","CHEBI:41879","CHEBI:53488","CHEBI:18243","CHEBI:87503","CHEBI:17620","CHEBI:68433","CHEBI:16015","CHEBI:17587","CHEBI:45571","CHEBI:33070","CHEBI:81256","CHEBI:144261","CHEBI:30838","CHEBI:144171","CHEBI:17351","CHEBI:58045","CHEBI:16643","CHEBI:17231","CHEBI:173749","CHEBI:70824","CHEBI:73688","CHEBI:70989","CHEBI:17786","CHEBI:183705","CHEBI:134021","CHEBI:18135","CHEBI:28054","CHEBI:133086","CHEBI:48416","CHEBI:39567","CHEBI:30915","CHEBI:40813","CHEBI:17847","CHEBI:32374","CHEBI:87986","CHEBI:82914","CHEBI:27905","CHEBI:135132","CHEBI:50212","CHEBI:17381","CHEBI:40116","CHEBI:27601","CHEBI:32114","CHEBI:16464","CHEBI:64557","CHEBI:16359","CHEBI:15741","CHEBI:507393","CHEBI:17821","CHEBI:27607","CHEBI:73018","CHEBI:79966","CHEBI:15760","CHEBI:27510","CHEBI:16704","CHEBI:9927","CHEBI:30816","CHEBI:172318","CHEBI:296881","CHEBI:72641","CHEBI:138295","CHEBI:72801","CHEBI:72643","CHEBI:412516","CHEBI:46195","CHEBI:28971","CHEBI:68641","CHEBI:34698","CHEBI:7719","CHEBI:71182","CHEBI:177946","CHEBI:86052","CHEBI:53003","CHEBI:77726","CHEBI:74966","CHEBI:16797","CHEBI:131924","CHEBI:190965","CHEBI:18125","CHEBI:17602","CHEBI:27967","CHEBI:16422","CHEBI:83526","CHEBI:182655","CHEBI:15815","CHEBI:27823","CHEBI:17509","CHEBI:139271","CHEBI:17489","CHEBI:2495","CHEBI:70960","CHEBI:2904","CHEBI:3077","CHEBI:3207","CHEBI:3347","CHEBI:18132","CHEBI:3745","CHEBI:216047","CHEBI:68830","CHEBI:49575","CHEBI:34694","CHEBI:93429","CHEBI:27468","CHEBI:681848","CHEBI:31527","CHEBI:4735","CHEBI:75984","CHEBI:5132","CHEBI:82966","CHEBI:84834","CHEBI:17594","CHEBI:16881","CHEBI:24809","CHEBI:84838","CHEBI:77086","CHEBI:16347","CHEBI:6418","CHEBI:63607","CHEBI:84098","CHEBI:50693","CHEBI:84634","CHEBI:170045","CHEBI:21440","CHEBI:89810","CHEBI:191148","CHEBI:17154","CHEBI:17688","CHEBI:62685","CHEBI:71012","CHEBI:71465","CHEBI:7915","CHEBI:17884","CHEBI:28821","CHEBI:74767","CHEBI:28867","CHEBI:28324","CHEBI:17015","CHEBI:57856","CHEBI:194386","CHEBI:157780","CHEBI:17347","CHEBI:17568","CHEBI:85095","CHEBI:691622","CHEBI:104022","CHEBI:194657","CHEBI:181087","CHEBI:62207","CHEBI:16865","CHEBI:181291","CHEBI:46894","CHEBI:45993","CHEBI:16827","CHEBI:16737","CHEBI:15773","CHEBI:16040","CHEBI:4640","CHEBI:5623","CHEBI:17368","CHEBI:27539","CHEBI:6931","CHEBI:16734","CHEBI:16424","CHEBI:28044","CHEBI:37548","CHEBI:17026","CHEBI:16893","CHEBI:9435","CHEBI:28946","CHEBI:78226","CHEBI:27878","CHEBI:16562","CHEBI:2379","CHEBI:189711","CHEBI:15354","CHEBI:4629","CHEBI:615","CHEBI:50599","CHEBI:30831","CHEBI:90333","CHEBI:139135","CHEBI:27551","CHEBI:21891","CHEBI:16335","CHEBI:190005","CHEBI:25979","CHEBI:17395","CHEBI:47977","CHEBI:53691","CHEBI:81555","CHEBI:82012","CHEBI:6456","CHEBI:27432","CHEBI:60039","CHEBI:181345","CHEBI:183762","CHEBI:117179","CHEBI:27410","CHEBI:17660","CHEBI:17945","CHEBI:172338","CHEBI:7563","CHEBI:109895","CHEBI:8413","CHEBI:16410","CHEBI:16353","CHEBI:36812","CHEBI:10125"]}}