{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001056","ANALYSIS_ID":"AN002145","VERSION":"1","CREATED_ON":"December 17, 2019, 3:00 pm"},

"PROJECT":{"PROJECT_TITLE":"Evaluation of the short-term effects of the allelochemical umbelliferone on Triticum durum L. metabolism through GC-MS based untargeted metabolomics","PROJECT_SUMMARY":"Allelopathy is a plant defense mechanism by which they protect themselves from competitive species using specialized biochemicals in the form of secretion or volatiles released to the environment. Though, umbelliferone is a well-known allelochemical, its mechanism of action in a short-term treatment is far from established. We used ≈ 10–days old wheat seedlings treated with104 µM umbelliferone over a time course experiment covering 6 times points, i.e., 0h, 6h, 12h, 24h, 48h, and 96h and compared the metabolomic changes to control (mock-treated) plants. Using gas chromatography mass-spectrometry (GC-MS) based metabolomics efforts, we collectively obtained quantitative data on 177 metabolites that were derivatized (either derivatized singly or multiple times) or not representing 139 non-redundant (unique) metabolites. Out of these 139 metabolites, 118 were associated with a unique HMDB identifier, while 113 were associated with a KEGG identifier. Relative quantification of these metabolites across the time-course of umbelliferone treatment, revealed 22 compounds (sugars, fatty acids, secondary metabolites, organic acids, and amino acids) that changed significantly (repeated measures ANOVA, P-value < 0.05) with time. Using multivariate partial least squares discriminant analysis (PLS-DA) we showed the grouping of samples based on time-course across the control and umbelliferone treated plants, whereas the metabolite-metabolite Pearson correlation revealed tightly formed clusters of umbelliferone-derived metabolites, fatty acids, amino acids, and carbohydrates. Also, time-course of umbelliferone treatment revealed, that phospho-L-serine, maltose, and dehydroquinic acid were the top three metabolites showing highest importance in discrimination among the time-points. The above indicate a system-wide changes induced by umbelliferone, through dysregulation of primary as well as specialized metabolism.","INSTITUTE":"University Mediterranea of Reggio Calabria","DEPARTMENT":"Dipartimento AGRARIA","LAST_NAME":"Araniti","FIRST_NAME":"Fabrizio","ADDRESS":"Department AGRARIA, University Mediterranea of Reggio Calabria, Località Feo di Vito, SNC I-89124, Reggio Calabria RC, Italy","EMAIL":"fabrizio.araniti@unirc.it","PHONE":"+39-09651694283","FUNDING_SOURCE":"Italian Ministry of Education, University and Research (MIUR), project SIR-2014 cod. RBSI14L9CE (MEDANAT).","PROJECT_COMMENTS":"NA","PUBLICATIONS":"In process","CONTRIBUTORS":"Misra B.B., Das, V., Landi M., Araniti F.,"},

"STUDY":{"STUDY_TITLE":"Evaluation of the short-term effects of the allelochemical umbelliferone on Triticum durum L. metabolism through GC-MS based untargeted metabolomics","STUDY_SUMMARY":"Allelopathy is a plant defense mechanism by which they protect themselves from competitive species using specialized biochemicals in the form of secretion or volatiles released to the environment. Though, umbelliferone is a well-known allelochemical, its mechanism of action in a short-term treatment is far from established. We used ≈ 10–days old wheat seedlings treated with104 µM umbelliferone over a time course experiment covering 6 times points, i.e., 0h, 6h, 12h, 24h, 48h, and 96h and compared the metabolomic changes to control (mock-treated) plants. Using gas chromatography mass-spectrometry (GC-MS) based metabolomics efforts, we collectively obtained quantitative data on 177 metabolites that were derivatized (either derivatized singly or multiple times) or not representing 139 non-redundant (unique) metabolites. Out of these 139 metabolites, 118 were associated with a unique HMDB identifier, while 113 were associated with a KEGG identifier. Relative quantification of these metabolites across the time-course of umbelliferone treatment, revealed 22 compounds (sugars, fatty acids, secondary metabolites, organic acids, and amino acids) that changed significantly (repeated measures ANOVA, P-value < 0.05) with time. Using multivariate partial least squares discriminant analysis (PLS-DA) we showed the grouping of samples based on time-course across the control and umbelliferone treated plants, whereas the metabolite-metabolite Pearson correlation revealed tightly formed clusters of umbelliferone-derived metabolites, fatty acids, amino acids, and carbohydrates. Also, time-course of umbelliferone treatment revealed, that phospho-L-serine, maltose, and dehydroquinic acid were the top three metabolites showing highest importance in discrimination among the time-points. The above indicate a system-wide changes induced by umbelliferone, through dysregulation of primary as well as specialized metabolism.","INSTITUTE":"Università Mediterranea di Reggio Calabria","DEPARTMENT":"Dipartimento AGRARIA","LAST_NAME":"Araniti","FIRST_NAME":"Fabrizio","ADDRESS":"Department AGRARIA, University Mediterranea of Reggio Calabria, Località Feo di Vito, SNC I-89124, Reggio Calabria RC, Italy","EMAIL":"fabrizio.araniti@unirc.it","PHONE":"+39-09651694283","NUM_GROUPS":"3","PUBLICATIONS":"In process"},

"SUBJECT":{"SUBJECT_TYPE":"Plant","SUBJECT_SPECIES":"Triticum durum","TAXONOMY_ID":"4567","GENOTYPE_STRAIN":"cv. Opera","AGE_OR_AGE_RANGE":"10 days","GENDER":"Not applicable"},
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"COLLECTION":{"COLLECTION_SUMMARY":"Durum wheat seeds (Triticum durum L. cv. Opera) were germinated in Petri dishes (9 cm ) in a growth chamber at 25°C, 70% humidity and with a photoperiod of 16 : 8 (light : dark) and light intensity of 90 mol m-2 s-1 supplied by a cool white fluorescent lamp (Polylux XL FT8, 55W 8440). Immediately after germination uniform seedlings were transferred to a 4.5 l hydroponic system and grown in a modified Hoagland solution formulated as follows: KNO3 (1 mM); MgSO4 (100 µM); CaSO4 (400 µM); KCl (5 µM); K2SO4 (200 µM); KH2PO4 (175 µM); H3BO3 (2.5 µM); MnSO4 (0.2 µM); ZnSO4 (0.2 µM); NaMoO4 (0.05 µM); CuSO4 (0.05 µM); Fe-EDTA (200 µM).","SAMPLE_TYPE":"Plant","STORAGE_CONDITIONS":"-80℃","COLLECTION_VIALS":"2ml Eppendorf Screwcapped Round Bottom tubes","STORAGE_VIALS":"2ml Eppendorf Screwcapped Round Bottom tubes","COLLECTION_TUBE_TEMP":"4 C","ADDITIVES":"None"},

"TREATMENT":{"TREATMENT_SUMMARY":"Seedlings (10 day old) were treated for 0 h (T0), 6 h (T1), 12 h (T2), 24 h (T3) and 96 h (T4) with nitrate (1 mM) and/ or umbelliferone (100 uM)","TREATMENT_PROTOCOL_COMMENTS":"Durum weath seeds were directly sown in hydroponic systems the 11/March/2018 and allowed to establish for 10 days. Nutritional Regime:Plant were grown in hydroponic solution composed as follow: KNO3 (1 mM); MgSO4 (100 µM); CaSO4 (400 µM); KCl (5 µM); K2SO4 (200 µM); KH h2PO4 (175 µM); H h3BO3 (2.5 µM); MnSO4 (0.2 µM); ZnSO4 (0.2 µM); NaMoO4 (0.05 µM); CuSO4 (0.05 µM); Fe-EDTA (200 µM). Plant Watering Regime: plants were cropped in hydroponic solution daily changed","TREATMENT":"Umbelliferone (Inhibitor: 100 uM), Time (0, 6, 12, 24, 48, 96 h)","TREATMENT_ROUTE":"Roots- Hydropony","TREATMENT_DOSE":"100 uM","TREATMENT_DOSEVOLUME":"Umbelliferone (Inhibitor: 100 uM), Nitrate (1 mM)","TREATMENT_DOSEDURATION":"Time (0, 6, 12, 24, 48, 96 h)","TREATMENT_VEHICLE":"Hoagland Solution","PLANT_GROWTH_LOCATION":"Growth chambers belonging to the University Mediterranea of Reggio Calabria","PLANT_LIGHT_PERIOD":"18h/6h light/dark","PLANT_HUMIDITY":"60% Relative Humidity","PLANT_TEMP":"25°C","PLANT_WATERING_REGIME":"See protocol comments","PLANT_NUTRITIONAL_REGIME":"See protocol comments","PLANT_ESTAB_DATE":"2018-03-11","PLANT_HARVEST_DATE":"2018-03-25","PLANT_GROWTH_STAGE":"Seedlings collected at the formation of second true leaves","PLANT_METAB_QUENCH_METHOD":"Immediately after collection snap frozen in liquid Nitrogen","PLANT_HARVEST_METHOD":"Full plants harvested manually (5 plants for replicate)","PLANT_STORAGE":"Snap frozen and powdered plant material stored at -80°C","TREATMENT_COMPOUND":"Umbelliferone (Inhibitor: 100 uM)"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Freshly homogenized (100 mg) plant material were obtained for each biological sample (plant) and replicates. These were transferred to a 2 ml microcentrifuge round bottom screw cap tubes (Eppendorf). Extraction was done by adding 1400 µl of methanol (at -20°C) and vortexing for 10 s after addition of 60 µl ribitol (0.2 mg/ml stock in dH2O) as an internal quantitative standard for the polar phase. Samples were transferred in a thermomixer at 70C and were shaken for 10 min (950 rpm) and were then further centrifuged for 10 min at 11000 g. The supernatants were collected and transferred to glass vials where 750 µl CHCl3 (-20°C) and 1500 µl dH2O (4°C) were sequentially added. All the samples were vortexed for 10 s and then centrifuged for another 15 min at 2200 g. Upper polar phase ((150 µl ) for each replicate were collected, transferred to a 1.5 ml tube and were dried in a vacuum concentrator without heating. Before freezing and storing at -80°C, the tubes were filled with argon and placed in a plastic bag with silica beads (for avoiding moisture and hydration during short-term storage). Before derivatization, stored samples, were placed in a vacuum concentrator for 30 minutes to eliminate any trace of humidity. Then, to the dried samples, 40 µl methoxyamine hydrochloride (20 mg/ml in pyridine) were added and incubated for 2 h in a Thermomixer (950 rpm) at 37 C. Methoxyaminated samples were then silylated by adding 70 µl of MSTFA to the aliquots. Samples were further shaken for 30 min at 37 C.","SAMPLEPREP_PROTOCOL_ID":"NA","SAMPLEPREP_PROTOCOL_FILENAME":"NA","SAMPLEPREP_PROTOCOL_COMMENTS":"NA","PROCESSING_METHOD":"Freshly homogenized (100 mg) plant material were obtained for each biological sample (plant) and replicates. These were transferred to a 2 ml microcentrifuge round bottom screw cap tubes (Eppendorf). Extraction was done by adding 1400 µl of methanol (at -20°C) and vortexing for 10 s after addition of 60 µl ribitol (0.2 mg/ml stock in ddH2O) as an internal quantitative standard for the polar phase. Samples were transferred in a thermomixer at 70C and were shaken for 10 min (950 rpm) and were then further centrifuged for 10 min at 11000 g. The supernatants were collected and transferred to glass vials where 750 µl CHCl3 (-20°C) and 1500 µl ddH2O (4°C) were sequentially added. All the samples were vortexed for 10 s and then centrifuged for another 15 min at 2200 g. Upper polar phase (150 µl ) for each replicate were collected, transferred to a 1.5 ml tube and were dried in a vacuum concentrator without heating. Before freezing and storing at -80°C, the tubes were filled with argon and placed in a plastic bag with silica beads (for avoiding moisture and hydration during short-term storage).","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"Freshly homogenized (100 mg) plant material were obtained for each biological sample (plant) and replicates. These were transferred to a 2 ml microcentrifuge round bottom screw cap tubes (Eppendorf). Extraction was done by adding 1400 µl of methanol (at -20°C) and vortexing for 10 s after addition of 60 µl ribitol (0.2 mg/ml stock in ddH2O) as an internal quantitative standard for the polar phase. Samples were transferred in a thermomixer at 70C and were shaken for 10 min (950 rpm) and were then further centrifuged for 10 min at 11000 g. The supernatants were collected and transferred to glass vials where 750 µl CHCl3 (-20°C) and 1500 µl ddH2O (4°C) were sequentially added. All the samples were vortexed for 10 s and then centrifuged for another 15 min at 2200 g. Upper polar phase (150 µl ) for each replicate were collected, transferred to a 1.5 ml tube and were dried in a vacuum concentrator without heating. Before freezing and storing at -80°C, the tubes were filled with argon and placed in a plastic bag with silica beads (for avoiding moisture and hydration during short-term storage).","EXTRACT_ENRICHMENT":"NA","EXTRACT_CLEANUP":"NA","EXTRACT_STORAGE":"4℃","SAMPLE_RESUSPENSION":"Dried for Derivatization","SAMPLE_DERIVATIZATION":"Methoxyaminatin + trimethylsilylation (MSTFA + 1% TMCS)","SAMPLE_SPIKING":"60 µl ribitol (0.2 mg/ml stock in ddH2O)","SUBCELLULAR_LOCATION":"NA"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"The derivatized extracts were injected into a TG-5MS capillary column (30 m x 0.25 mm x 0.25 µm) (Thermo Fisher Scientific, Waltham, MA, USA) using a gas chromatograph apparatus (Trace GC 1310, Thermo Fisher Scientific, Waltham, MA, USA) equipped with a single quadrupole mass spectrometer (ISQ LT, Thermo Fisher Scientific, Waltham, Massachusetts, US). Injector and source were set at 250°C and 260°C temperature, respectively. One µl of sample was injected in splitless mode with a helium flow of 1 ml/min using the following programmed temperature: isothermal 5 min at 70 °C followed by a 5°C/ min ramp to 350 °C and a final 5 min heating at 330°C.","CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Trace GC 1310, Thermo Fisher Scientific","COLUMN_NAME":"TG-5MS","FLOW_RATE":"1 ml/min","COLUMN_TEMPERATURE":"programmed temperature: isothermal 5 min at 70 °C followed by a 5°C/ min ramp to 350 °C and a final 5 min heating at 330°C","METHODS_ID":"NA","INJECTION_TEMPERATURE":"250","INTERNAL_STANDARD":"Adonitol (0.0002mg/ml of pure water) 60 μL per sample","RETENTION_INDEX":"Alkanes mixture C10-C40","RETENTION_TIME":"Alkanes mixture C10-C40","OVEN_TEMPERATURE":"programmed temperature: isothermal 5 min at 70 °C followed by a 5°C/ min ramp to 350 °C and a final 5 min heating at 330°C","TRANSFERLINE_TEMPERATURE":"250","SAMPLE_SYRINGE_SIZE":"10 μL","RANDOMIZATION_ORDER":"YES"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Laboratory of plant physiology and biochemestry of the agro-forestal systems","OPERATOR_NAME":"Fabrizio Araniti","SOFTWARE_VERSION":"Xcalibur 3.0.63","ACQUISITION_DATE":"22/05/18 till 31/05/18","DATA_FORMAT":".RAW (Thermo Fisher Scientific)"},

"MS":{"INSTRUMENT_NAME":"ISQ LT, Thermo Fisher Scientific","INSTRUMENT_TYPE":"GC-ITQ","MS_TYPE":"EI","ION_MODE":"POSITIVE","MS_COMMENTS":"Mass spectra were recorded in electronic impact (EI) mode at 70 eV, scanning at 40-600 m/z range, scan time 0.2 sec. Mass spectrometric solvent delay was settled as 9 min.","ACQUISITION_DATE":"22/05/18 till 31/05/18","FRAGMENTATION_METHOD":"EI-MS","HELIUM_FLOW":"1 ml/min","ION_SOURCE_TEMPERATURE":"260","IONIZATION_ENERGY":"70 eV","MASS_ACCURACY":"Unit Resolution","PRECURSOR_TYPE":"Full scan","SOURCE_TEMPERATURE":"260","SCAN_RANGE_MOVERZ":"40-600"},

"MS_METABOLITE_DATA":{
"Units":"Relative Abundance",

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"Metabolites":[{"metabolite_name":"(-)-Shikimic acid"},{"metabolite_name":"(S,R)-Noscapine"},{"metabolite_name":"1,2,4,5-Tetrazine"},{"metabolite_name":"1,2,4,5-Tetrazine, 3,6-dimethyl-"},{"metabolite_name":"1,2-Ethenediol, 2TMS derivative"},{"metabolite_name":"1,4-Butanediamine"},{"metabolite_name":"1,5-cis,8-cis-Undecatriene-3,7-diol bis(trimethylsilyl)ether"},{"metabolite_name":"12-[(2,4-dimethoxyphenyl)carbonyl]-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4',5':3,4]pyrrolo[1,2-a]quinolin-7(8H)-one"},{"metabolite_name":"12-HETE"},{"metabolite_name":"18-Methyl-nodecane-1,2-dio, trimethylsilyl ether"},{"metabolite_name":"1-Aminocyclopropane-1-carboxylic acid"},{"metabolite_name":"1-Buten-3-yne"},{"metabolite_name":"1-Cyclohexyldimethylsilyloxy-3-phenylpropane"},{"metabolite_name":"1-Decylamine"},{"metabolite_name":"1-FORMYL-8-(TRIISOPROPYLSILYL)OXY-2-METHYL-1BETA,2ALPHA,(4A)ALPHA,5,6,7,8BETA,(8A)BETA-OCTAHYDROPHTHALENE"},{"metabolite_name":"1-Hexanol, TMS 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5-(pentyloxy)-, (E)-"},{"metabolite_name":"2-Pyrrolidone carboxylic acid, N-trimethylsilyl-, trimethylsilyl ester"},{"metabolite_name":"3-Indolebutyric acid"},{"metabolite_name":"3-METHYL-2-(TRIMETHYLSILYL)OXYBENZOIC ACIDTRIMETHYLSILYL ESTER"},{"metabolite_name":"3-Methylene-1,4-bis(trimethylsilyloxy) butane"},{"metabolite_name":"4-Aminomethylcyclohexane carboxylic acid, N,N-bis(trimethylsilyl)-, trimethylsilyl ester"},{"metabolite_name":"5-HETE"},{"metabolite_name":"5-methoxytryptamine 4TMS major"},{"metabolite_name":"6-METHYL-4-TRIMETHYLSILYLMETHYL-5,6-DIHYDRO-2H-PYRAN"},{"metabolite_name":"7-Hydroxyflavone"},{"metabolite_name":"Adonitol"},{"metabolite_name":"Allantoate"},{"metabolite_name":"Alpha-Terpineol"},{"metabolite_name":"Arachidyl alcohol"},{"metabolite_name":"Bentazone"},{"metabolite_name":"Benzamide, N-benzoyl-N-(4,5-dimethyl-1H-1,2,3-triazol-1-yl)-"},{"metabolite_name":"Berberine"},{"metabolite_name":"beta-D-Glucopyranose,1-thio-,1-(5-(methylsulfinyl)-N-(sulfooxy)-4-pentenimidate"},{"metabolite_name":"Beta-Leucine"},{"metabolite_name":"b-Hydroxypropiote"},{"metabolite_name":"BIS(TERT-BUTYLDIMETHYLSILYL) ETHER"},{"metabolite_name":"Bisdemethoxycurcumin"},{"metabolite_name":"Bisphenol A monomethyl ether, TMS derivative"},{"metabolite_name":"Boric acid, 3TMS derivative"},{"metabolite_name":"Butal"},{"metabolite_name":"Butal, 2,3,4-tris[(trimethylsilyl)oxy]-3-[[(trimethylsilyl)oxy]methyl]-, O-methyloxime, (S)-"},{"metabolite_name":"Butanoic acid, 1,1-dimethylethyl ester"},{"metabolite_name":"Carbamic acid,(trimethylsilyl),(trimethylsilyloxy)"},{"metabolite_name":"Carbamic acid,(trimethylsilyl)[(trimethylsilyl)oxy] trimethylsilyl ester"},{"metabolite_name":"Choline"},{"metabolite_name":"Chrysin"},{"metabolite_name":"Citramalate"},{"metabolite_name":"Citrate"},{"metabolite_name":"Coumarin"},{"metabolite_name":"D-(-)-Fructose"},{"metabolite_name":"D-(+)-Mannose"},{"metabolite_name":"D-Arabino-Hexonic acid, 3-deoxy-2,5,6-tris-O-(trimethylsilyl)-, γ-lactone"},{"metabolite_name":"D-Glucose"},{"metabolite_name":"Dihydrojasmone"},{"metabolite_name":"Dihydrophytol, TMS derivative"},{"metabolite_name":"Dihydrouracil"},{"metabolite_name":"DL-ALPHA,3,4-TRI(TRIMETHYLSILYL)OXY-PHENYLACETIC ACID TRIMETHYLSILYL ESTER"},{"metabolite_name":"DL-Malic acid"},{"metabolite_name":"DL-Pyroglutamic acid"},{"metabolite_name":"D-Mannose, 5TMS derivative"},{"metabolite_name":"D-Ribose, 4TMS derivative"},{"metabolite_name":"D-Threitol, 4TMS derivative"},{"metabolite_name":"D-Xylopyranose, 4TMS derivative"},{"metabolite_name":"D-Xylose, 4TMS derivative"},{"metabolite_name":"Erythritol, 4TMS derivative"},{"metabolite_name":"Ethamine, 2TMS derivative"},{"metabolite_name":"Ethyl α-D-glucopyranoside, 4TMS derivative"},{"metabolite_name":"Ethylene glycol, 2TMS derivative"},{"metabolite_name":"Formononetin"},{"metabolite_name":"GABA"},{"metabolite_name":"Galactose oxime, 6TMS derivative"},{"metabolite_name":"Gibberellin A4"},{"metabolite_name":"Glutaric acid"},{"metabolite_name":"Glyceric acid"},{"metabolite_name":"Glycocholate"},{"metabolite_name":"Glycylvaline"},{"metabolite_name":"Glyoxylic acid"},{"metabolite_name":"Hirsutine"},{"metabolite_name":"Hirsutrin"},{"metabolite_name":"Hydroxyatrazine"},{"metabolite_name":"Hydroxycotinine, TMS derivative"},{"metabolite_name":"Hydroxylamine"},{"metabolite_name":"Hydroxylamine, 3TMS derivative"},{"metabolite_name":"Idonic acid, γ-lactone, 4TMS derivavative"},{"metabolite_name":"Indole-3-acetate"},{"metabolite_name":"Indomethacin"},{"metabolite_name":"ISOBUTYL ACETATE"},{"metabolite_name":"L-5-Oxoproline"},{"metabolite_name":"Lactic Acid, 2TMS 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acid, 2TMS derivative"},{"metabolite_name":"Palmitic acid"},{"metabolite_name":"Palmitic Acid, TMS derivative"},{"metabolite_name":"pelargonic acid"},{"metabolite_name":"Penicillamine, 3TMS derivative"},{"metabolite_name":"Phosphatidylcholine 22:0-18:2"},{"metabolite_name":"Phosphatidylcholine lyso 17:1"},{"metabolite_name":"Phosphoric acid, bis(trimethylsilyl) 2,3-bis[(trimethylsilyl)oxy]propyl ester"},{"metabolite_name":"Phosphoric acid, bis[2,3-bis[(trimethylsilyl)oxy]propyl] trimethylsilyl ester"},{"metabolite_name":"piperidine"},{"metabolite_name":"Propal, 2,3-bis[(trimethylsilyl)oxy]-, O-methyloxime, (S)-"},{"metabolite_name":"Propanoic acid, 2-oxo-3-(trimethylsilyl)-, trimethylsilyl ester"},{"metabolite_name":"Propanoic acid, 3-[[bis[(trimethylsilyl)oxy]phosphinyl]oxy]-2-[(trimethylsilyl)oxy]-, trimethylsilyl ester, (S)-"},{"metabolite_name":"Propiote"},{"metabolite_name":"Pyridine"},{"metabolite_name":"Quercetin"},{"metabolite_name":"quinic acid"},{"metabolite_name":"Quininic acid (5TMS)"},{"metabolite_name":"ribitol"},{"metabolite_name":"Seneciphylline"},{"metabolite_name":"Silane, dimethylbis[(trimethylsilyl)methyl]-"},{"metabolite_name":"Silylamine, 1,1,1-trimethyl-N-[6-(trimethylsiloxy)-2-phthyl]-"},{"metabolite_name":"Sotalol"},{"metabolite_name":"Sphingomyelin d18:1-C19:0"},{"metabolite_name":"Sphingomyelin d18:2-C23:0"},{"metabolite_name":"Stearic acid"},{"metabolite_name":"SUCCINIC ACID"},{"metabolite_name":"Sucrose, 8TMS derivative"},{"metabolite_name":"Sulfurous acid, 2-ethylhexyl hexyl ester"},{"metabolite_name":"Terbutaline, N-trifluoroacetyl-O,O,o-tris(trimethylsilyl)deriv."},{"metabolite_name":"threo-b-methylaspartate"},{"metabolite_name":"Thymidine"},{"metabolite_name":"Tranexamic acid, 3TMS derivative"},{"metabolite_name":"TRANS-1-PROPENE-1,2,3-TRICARBOXYLIC ACID TRI(TRIMETHYLSILYL) ESTER"},{"metabolite_name":"TRANS-2-BUTENE-1,4-DICARBOXYLIC ACID BIS(TRIMETHYLSILYL) ESTER"},{"metabolite_name":"trans-Cinmic acid"},{"metabolite_name":"Triethanolamine, 3TMS derivative"},{"metabolite_name":"TRIS(TRIMETHYLSILYL)METHANE"},{"metabolite_name":"Undecane, 4,7-dimethyl-"},{"metabolite_name":"Valeric acid"},{"metabolite_name":"Valine, N-trimethylsilyl-, trimethylsilyl ester"},{"metabolite_name":"α-Benzylphenethylamine"},{"metabolite_name":"α-D-Lactose, 8TMS derivative"},{"metabolite_name":"α-l-Galactofuranoside, methyl 6-deoxy-2,3,5-tris-O-(trimethylsilyl)-"},{"metabolite_name":"α-L-Idopyranuronic acid, 5TMS derivative"},{"metabolite_name":"α-Methyl-L-tyrosine, 3TMS derivative"},{"metabolite_name":"β-d-Glucopyranoside, 2-[[4-(trimethylsilyl)oxy]phenyl]ethyl, tetrakis(trimethylsilyl)"},{"metabolite_name":"β-Gentiobiose, octakis(trimethylsilyl) ether, methyloxime (isomer 1)"}]
}

}