#METABOLOMICS WORKBENCH sven_haange_20220819_020051 DATATRACK_ID:3423 STUDY_ID:ST002279 ANALYSIS_ID:AN003723 PROJECT_ID:PR001459
VERSION             	1
CREATED_ON             	August 24, 2022, 9:54 pm
#PROJECT
PR:PROJECT_TITLE                 	Modulation of blood metabolites by dietary β–glucan in rainbow trout
PR:PROJECT_TITLE                 	(Oncorhynchus mykiss)
PR:PROJECT_SUMMARY               	Prebiotics are known to have a positive impact on fish health and growth rate,
PR:PROJECT_SUMMARY               	and β-glucans are among the most used prebiotics on the market. In this study,
PR:PROJECT_SUMMARY               	rainbow trout (Oncorhynchus mykiss) were treated with a β-1,3;1,6-glucan
PR:PROJECT_SUMMARY               	dietary supplement (at a dose of 0 g, 1 g, 10 g, and 50 g β-glucan per kg of
PR:PROJECT_SUMMARY               	feed). After 6 weeks, the effect of the β-glucan was evaluated by determining
PR:PROJECT_SUMMARY               	the changes in the microbiota and the blood serum metabolites in the fish
PR:INSTITUTE                     	Helmholtz Centre for Environmental Research - UFZ
PR:DEPARTMENT                    	Molecular Systems Biology
PR:LABORATORY                    	Functional Metabolomics
PR:LAST_NAME                     	Haange
PR:FIRST_NAME                    	Sven
PR:ADDRESS                       	Permoserstrasse 1, Leipzig, Saxony, 04318, Germany
PR:EMAIL                         	sven.haange@ufz.de
PR:PHONE                         	0049 341 2351099
#STUDY
ST:STUDY_TITLE                   	Modulation of blood metabolites by dietary β–glucan in rainbow trout
ST:STUDY_TITLE                   	(Oncorhynchus mykiss) - Serum amino acids and biogenic amines concentrations
ST:STUDY_SUMMARY                 	Measurement of changes in serum amino acids and biogenic amines levels using
ST:STUDY_SUMMARY                 	targeted mass spectrometry
ST:INSTITUTE                     	Helmholtz Centre for Environmental Research - UFZ
ST:LAST_NAME                     	Haange
ST:FIRST_NAME                    	Sven
ST:ADDRESS                       	Permoserstrasse 1, Leipzig, Saxony, 04318, Germany
ST:EMAIL                         	sven.haange@ufz.de
ST:PHONE                         	0049 341 2351099
#SUBJECT
SU:SUBJECT_TYPE                  	Fish
SU:SUBJECT_SPECIES               	Oncorhynchus mykiss
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	1024025731	Sample time:0h | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_03_0_1_1_00_1024025731.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025813	Sample time:6_weeks | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_04_0_1_1_00_1024025813.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025890	Sample time:6_weeks | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_05_0_1_1_00_1024025890.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028825	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_06_0_1_1_00_1024028825.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028908	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_07_0_1_1_00_1024028908.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019677	Sample time:6_weeks | Treatment:5% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_08_0_1_1_00_1024019677.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019750	Sample time:6_weeks | Treatment:5% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_09_0_1_1_00_1024019750.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025745	Sample time:0h | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_15_0_1_1_00_1024025745.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028757	Sample time:6_weeks | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_17_0_1_1_00_1024028757.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025828	Sample time:6_weeks | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_16_0_1_1_00_1024025828.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028912	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_19_0_1_1_00_1024028912.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028830	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_18_0_1_1_00_1024028830.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019764	Sample time:6_weeks | Treatment:5% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_21_0_1_1_00_1024019764.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019681	Sample time:6_weeks | Treatment:5% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_20_0_1_1_00_1024019681.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025750	Sample time:0h | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_27_0_1_1_00_1024025750.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025832	Sample time:6_weeks | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_28_0_1_1_00_1024025832.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028927	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_31_0_1_1_00_1024028927.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028844	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_30_0_1_1_00_1024028844.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019696	Sample time:6_weeks | Treatment:5% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_32_0_1_1_00_1024019696.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025764	Sample time:0h | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_39_0_1_1_00_1024025764.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028859	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_42_0_1_1_00_1024028859.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028931	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_43_0_1_1_00_1024028931.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025847	Sample time:6_weeks | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_40_0_1_1_00_1024025847.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028776	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_41_0_1_1_00_1024028776.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019707	Sample time:6_weeks | Treatment:5% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_44_0_1_1_00_1024019707.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025779	Sample time:0h | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_51_0_1_1_00_1024025779.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019639	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_55_0_1_1_00_1024019639.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028863	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_54_0_1_1_00_1024028863.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028781	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_53_0_1_1_00_1024028781.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025851	Sample time:6_weeks | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_52_0_1_1_00_1024025851.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019711	Sample time:6_weeks | Treatment:5% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_56_0_1_1_00_1024019711.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025783	Sample time:0h | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_63_0_1_1_00_1024025783.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019726	Sample time:6_weeks | Treatment:5% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_68_0_1_1_00_1024019726.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025866	Sample time:6_weeks | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_64_0_1_1_00_1024025866.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028795	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_65_0_1_1_00_1024028795.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028878	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_66_0_1_1_00_1024028878.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019643	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_67_0_1_1_00_1024019643.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025871	Sample time:6_weeks | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_76_0_1_1_00_1024025871.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028806	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_77_0_1_1_00_1024028806.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028882	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_78_0_1_1_00_1024028882.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019658	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_79_0_1_1_00_1024019658.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025711	Sample time:0h | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_74_0_1_1_00_1024025711.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025798	Sample time:0h | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_75_0_1_1_00_1024025798.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025809	Sample time:0h | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_87_0_1_1_00_1024025809.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025726	Sample time:0h | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_86_0_1_1_00_1024025726.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019731	Sample time:6_weeks | Treatment:5% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_80_0_1_1_00_1024019731.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024019745	Sample time:6_weeks | Treatment:5% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_92_0_1_1_00_1024019745.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028811	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_89_0_1_1_00_1024028811.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024025885	Sample time:6_weeks | Treatment:no ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_88_0_1_1_00_1024025885.wiff
SUBJECT_SAMPLE_FACTORS           	-	1024028897	Sample time:6_weeks | Treatment:0,1% ß-glucan	RAW_FILE_NAME=KIT2-0-5504_1024019783_90_0_1_1_00_1024028897.wiff
#COLLECTION
CO:COLLECTION_SUMMARY            	For the metabolite and microbiota analyses, 10 fish from the control group were
CO:COLLECTION_SUMMARY            	collected on day 0 and 10 fish from each group (control, 0.1, 1.0, 5.0%
CO:COLLECTION_SUMMARY            	β-glucan) at week 6. Fish were euthanized by immersion in an overdose (200
CO:COLLECTION_SUMMARY            	mg∙L-1) of MS-222 (cat no. A5040, Sigma-Aldrich). The tail was cut, and blood
CO:COLLECTION_SUMMARY            	was sampled from the vena caudalis using Na-heparinised 25 mL and 50 mL
CO:COLLECTION_SUMMARY            	capillary pipettes (Hirschmann Laborgeräte, Germany). Blood samples were
CO:COLLECTION_SUMMARY            	centrifuged at 3,000 g for 10 min at 4 °C, and serum was isolated and stored at
CO:COLLECTION_SUMMARY            	-80 °C. The intestine was aseptically sampled and immediately immersed in
CO:COLLECTION_SUMMARY            	RNAlater® (Sigma-Aldrich) and transferred to -20 °C.
CO:SAMPLE_TYPE                   	Blood (serum)
CO:STORAGE_CONDITIONS            	-20℃
#TREATMENT
TR:TREATMENT_SUMMARY             	A commercial pelleted (1.5 mm) trout feed (INICIO 917, BioMar A/S) based on a
TR:TREATMENT_SUMMARY             	mixture of fish and plant protein and containing 47% crude protein, 20% crude
TR:TREATMENT_SUMMARY             	lipid, 18% carbohydrates (NFE), 1.2% fibre, 8.5% ash, and 1.1% phosphorus was
TR:TREATMENT_SUMMARY             	used for preparation of the diets. A β-1,3;1,6-glucan (purity: 81.6%; mean
TR:TREATMENT_SUMMARY             	particle size: 37.7 µm; supplementary table S2) purified from yeast
TR:TREATMENT_SUMMARY             	(Saccharomyces cerevisiae) (Biorigin, Brazil) was supplemented to this diet at
TR:TREATMENT_SUMMARY             	varying doses: 0 g, 1 g, 10 g, and 50 g β-glucan were added to 1 kg of INICIO
TR:TREATMENT_SUMMARY             	917, respectively, during continuous mixing and sealed to the pellets by
TR:TREATMENT_SUMMARY             	spraying with 30 mL organic, cold-pressed rapeseed oil (Gyldenmark), resulting
TR:TREATMENT_SUMMARY             	in a control diet without β-glucan and three experimental diets of 0.1%, 1.0%,
TR:TREATMENT_SUMMARY             	and 5.0% Wt/Wt β-glucan.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Sample preparation for MetIDQ p180 Kit measurement Solvents: Acetonitril (Merck
SP:SAMPLEPREP_SUMMARY            	KGaA, Darmstadt, Germany hypergrade for LC-MS) Water MiliQ, Extracting agent -
SP:SAMPLEPREP_SUMMARY            	ACN / H2O (1:1) Equipment 4 steel balls size M Eppendorf Tubes 2mL Tissue slicer
SP:SAMPLEPREP_SUMMARY            	(Rettberg, Germany) Centrifuge (Sigma) Work steps Approximately 100 mg of sample
SP:SAMPLEPREP_SUMMARY            	and 4 steel balls of size M into each tube. Per mg of sample 5 µL of extracting
SP:SAMPLEPREP_SUMMARY            	agent was added. Shake the samples for 10 minutes at 30 Hz in the tissue slicer
SP:SAMPLEPREP_SUMMARY            	and centrifuge for 2 minutes at 14000 rpm. 10µL of supernatant was used for the
SP:SAMPLEPREP_SUMMARY            	targeted analytics. For blood sample analysis 10 µL plasma was taken. Kit
SP:SAMPLEPREP_SUMMARY            	reparation The analysis was performed using the validated MetIDQ p180 Kit and
SP:SAMPLEPREP_SUMMARY            	described in Siskos et al. [1]. Data processing was carried out with the
SP:SAMPLEPREP_SUMMARY            	provided quantitation method Kit (Biocrates Life Sciences AG, Innsbruck,
SP:SAMPLEPREP_SUMMARY            	Austria). 1 Siskos AP, Jain P, Römisch-Margl W, Bennett M, Achaintre D, Asad Y,
SP:SAMPLEPREP_SUMMARY            	et al. Interlaboratory Reproducibility of a Targeted Metabolomics Platform for
SP:SAMPLEPREP_SUMMARY            	Analysis of Human Serum and Plasma. Anal Chem 2017;89:656-65.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	LC - Instrument Parameters AbsoluteIDQ® p180 Kit (Biocrates Life Science AG,
CH:CHROMATOGRAPHY_SUMMARY        	Innsbruck, Austria) System: UPLC (Waters Acquity, Waters Corporation, Milford,
CH:CHROMATOGRAPHY_SUMMARY        	USA) Column: Agilent, Zorbax Eclipse XDB C18, 3.0 x 100 mm, 3.5 µM, Agilent
CH:CHROMATOGRAPHY_SUMMARY        	Waldbronn, Germany Precolumn: Security Guard, Phenomenex, C18, 4 x 3 mm;
CH:CHROMATOGRAPHY_SUMMARY        	Phenomenex, Aschaffenburg, Germany Materials: Water MiliQ, Methanol (Merck KGaA,
CH:CHROMATOGRAPHY_SUMMARY        	Darmstadt, Germany, hypergrade for LC-MS) Acetonitril (Merck KGaA, Darmstadt,
CH:CHROMATOGRAPHY_SUMMARY        	Germany hypergrade for LC-MS) Ammonium Acetate (Honeywell - Fluka, Seelze,
CH:CHROMATOGRAPHY_SUMMARY        	Germany) Formic Acid (Honeywell, Fluka, Seelze, Germany) Running Solvent: 5mM
CH:CHROMATOGRAPHY_SUMMARY        	ammonium acetat in methanol FIA: B: Mix running solvent and MiliQ water 1:1
CH:CHROMATOGRAPHY_SUMMARY        	Gradient Table FIA Time (min) Flow Rate (mL/min) %A %B Curve Initial 0.030 0.0
CH:CHROMATOGRAPHY_SUMMARY        	100.0 Initial 1.60 0.030 0.0 100.0 6 2.40 0.200 0.0 100.0 6 2.80 0.200 0.0 100.0
CH:CHROMATOGRAPHY_SUMMARY        	6 3.00 0.030 0.0 100.0 6
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	UPLC (Waters Acquity, Waters Corporation, Milford, USA)
CH:COLUMN_NAME                   	Agilent, Zorbax Eclipse XDB C18, 3.0 x 100 mm, 3.5 µM, Agilent Waldbronn,
CH:COLUMN_NAME                   	Germany
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 5500 QTrap
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	MS - Instrument Parameter AbsoluteIDQ® p180 Kit (Biocrates Life Science AG,
MS:MS_COMMENTS                   	Innsbruck, Austria) MS -Q-Trap 5500 Sciex Ion Source: Turbo Spray Curtian Gas:
MS:MS_COMMENTS                   	20 CAD Gas: Medium Ion Spray Voltage: 5500 V Temperature: 500°C Ion Source Gas
MS:MS_COMMENTS                   	1: 40psi Ion Source Gas 2: 50 psi
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	µM
MS_METABOLITE_DATA_START
Samples	1024025731	1024025813	1024025890	1024028825	1024028908	1024019677	1024019750	1024025745	1024028757	1024025828	1024028912	1024028830	1024019764	1024019681	1024025750	1024025832	1024028927	1024028844	1024019696	1024025764	1024028859	1024028931	1024025847	1024028776	1024019707	1024025779	1024019639	1024028863	1024028781	1024025851	1024019711	1024025783	1024019726	1024025866	1024028795	1024028878	1024019643	1024025871	1024028806	1024028882	1024019658	1024025711	1024025798	1024025809	1024025726	1024019731	1024019745	1024028811	1024025885	1024028897
Factors	Sample time:0h | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:5% ß-glucan	Sample time:6_weeks | Treatment:5% ß-glucan	Sample time:0h | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:5% ß-glucan	Sample time:6_weeks | Treatment:5% ß-glucan	Sample time:0h | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:5% ß-glucan	Sample time:0h | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:5% ß-glucan	Sample time:0h | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:5% ß-glucan	Sample time:0h | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:5% ß-glucan	Sample time:6_weeks | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:0h | Treatment:no ß-glucan	Sample time:0h | Treatment:no ß-glucan	Sample time:0h | Treatment:no ß-glucan	Sample time:0h | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:5% ß-glucan	Sample time:6_weeks | Treatment:5% ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan	Sample time:6_weeks | Treatment:no ß-glucan	Sample time:6_weeks | Treatment:0,1% ß-glucan
Ala	558	630	608	774	771	655	596	483	551	628	704	703	734	622	629	509	440	674	702	613	735	603	821	1030	839	516	824	707	743	578	923	528	673	565	624	633	433	547	490	688	695	500	569	375	548	679	588	497	534	673
Arg	136	196	158	145	135	167	90.3	136	150	148	187	163	97.9	144	124	160	85.8	151	156	138	168	141	197	181	157	120	119	117	117	181	128	144	158	156	112	195	83.8	111	67.2	119	83.5	113	127	112	175	143	110	185	161	108
Asn	14.7	21.4	12	39.9	36.3	16.5	27.9	20.2	13.6	26.6	18	20	11.9	29	11.5	17.9	23.4	20.1	22.4	13.3	18.1	18.5	15.9	25.3	40.5	15.9	17.9	25	31.8	16.7	16.3	15	39.3	33.7	19.3	22	16.8	18.6	16.2	19	15.4	10.3	17.9	10.3	13.6	26.5	13.6	25.9	16.7	26
Asp	153	179	134	110	180	125	113	147	216	135	206	164	199	95.9	182	121	85.1	151	179	133	168	114	236	183	199	122	157	169	166	166	128	164	137	117	201	204	97.7	232	65.6	175	168	118	197	121	128	116	116	215	149	169
Cit	16.6	15.3	11.5	28.9	8.29	9.64	9.49	19.4	12.4	15.3	18.8	16.7	10.9	10.2	20.4	15.8	7.77	13.9	8.8	16.3	20.7	12.1	25.2	11.3	20.1	22.2	13	14.5	13.4	18.5	13.9	14.3	62.4	9.43	14.3	12.9	7.67	18.6	9.75	8.79	8.5	22.1	21.6	15.6	25.9	14.3	12.7	27.4	19.7	9.58
Gln	317	441	413	528	560	504	485	426	415	525	289	447	396	497	322	290	302	558	433	310	489	431	616	720	603	336	413	364	414	405	467	207	683	409	511	542	329	401	321	495	427	282	308	177	356	475	464	434	441	406
Glu	184	220	136	122	147	129	115	146	169	180	220	150	187	125	184	126	83.4	155	153	232	155	117	223	141	165	164	190	177	181	142	180	172	127	184	189	163	106	176	114	155	147	150	188	113	156	118	158	162	167	129
Gly	2920	2920	1870	1520	2360	1680	1670	2140	1990	1880	2240	2540	1670	1220	2250	2650	1680	1690	2390	2220	2130	1260	1920	2320	1920	2640	2260	1940	2390	1740	2750	1990	2080	1870	1970	2060	1300	1870	1050	1720	1740	2370	1810	1670	1790	1590	1560	2250	1850	1510
His	147	171	119	122	182	121	175	120	125	120	105	166	121	133	125	138	103	170	142	131	124	114	178	171	146	142	118	165	123	118	156	100	144	102	131	180	145	99.1	96	178	144	134	126	86.2	126	164	126	157	101	124
Ile	115	102	136	212	181	161	146	98.5	152	129	127	166	120	151	119	90.2	106	200	199	146	174	115	189	291	173	124	111	154	131	121	150	114	198	134	145	104	109	116	98.8	137	139	130	115	60.3	135	152	134	108	149	164
Leu	211	208	276	367	333	268	223	190	299	272	255	293	243	283	246	171	170	344	353	271	319	237	417	485	317	237	196	292	240	265	275	223	359	250	262	218	204	262	172	241	249	248	215	121	249	264	246	238	302	303
Lys	261	265	298	250	274	220	260	325	290	229	285	272	234	282	222	254	224	271	255	289	376	276	562	372	344	187	241	231	273	349	290	204	335	271	310	509	250	248	128	256	204	197	246	165	274	253	247	315	263	270
Met	112	104	124	115	104	98.5	125	126	119	89.2	106	153	94.1	95.4	150	115	89.8	126	102	95.4	137	88.2	150	133	121	126	101	95.7	86.8	118	109	91.6	152	110	99.5	90.5	103	79.4	70.8	112	98.1	124	105	91.3	154	107	114	186	109	116
Orn	31.7	32.1	37	34	29.4	26.6	41.1	31.1	25.7	25.4	26.8	23.3	42.5	42.6	13.1	29.3	67.2	35.5	30	15.2	29.8	20.6	81.1	40.3	58.2	12.4	48.2	22.9	36.9	23.2	37.7	13.6	65	25.6	43.4	46.2	36.1	35.8	19.3	57.3	38.1	14.5	13	8.43	17.5	38.8	27.1	29.1	24.7	47.2
Phe	188	156	171	180	172	159	154	180	128	159	162	198	111	131	157	137	121	210	149	175	253	154	204	180	158	141	148	145	182	215	179	149	180	196	132	126	118	127	142	141	130	172	159	144	188	123	229	202	152	201
Pro	132	96.1	113	143	143	99.4	51.8	130	126	92.7	106	128	133	88.7	162	111	82.8	103	108	121	138	101	172	236	168	137	98	86.7	110	102	141	87.5	159	91.6	149	135	42.4	126	40.9	107	99.1	111	112	87.1	94.1	88.2	91.1	90.9	119	95
Ser	218	272	202	198	276	205	201	242	205	222	229	164	195	213	227	233	196	275	164	196	257	182	286	255	253	175	160	263	154	260	285	130	203	248	258	142	130	140	112	140	149	202	206	115	230	191	188	471	172	175
Thr	159	249	309	228	293	286	213	158	187	233	240	388	241	307	169	225	200	254	321	176	229	218	350	521	319	182	257	209	256	202	398	133	254	201	340	346	203	160	167	319	225	186	164	103	191	304	196	274	242	293
Trp	35.5	30.1	29.3	33.9	34.2	33	29.7	33	24.1	31.2	24.1	31.3	27.8	30.9	24.2	22.8	26.5	27.2	36.6	29.3	30.9	28.9	34.4	35.5	34.2	15.8	27.9	31.6	25.3	33.5	31.8	19.3	39.2	31.4	29.3	35.3	26.9	23.8	22.6	29.7	26.8	26.1	22.9	17.3	30.6	26.2	30.1	36.7	26.1	28.9
Tyr	110	74.1	88.4	74.3	79.9	82.1	84.3	117	79.3	79.9	85.5	89.7	54.3	85.1	95.9	61.5	57.9	79.7	65.8	65.9	132	57	112	81	90.1	69.9	77.5	64.7	75.3	97.8	61	52.9	100	63	49	51.1	83	47.5	61.8	69.1	57.9	95.7	84.3	85.1	76.1	61.5	134	112	56.4	102
Val	284	257	349	454	418	332	287	281	381	329	296	401	272	361	299	252	233	413	390	306	393	258	504	574	353	313	254	354	336	314	412	278	400	344	339	273	283	336	232	341	316	306	293	184	329	320	312	330	380	371
Ac-Orn	0.059	0.139	0.045	0.098	0.017	0.104	0.04	0.051	0.058	0.051	0.013	0.029	0	0.123	0.107	0.122	0.104	0.095	0.176	0.09	0.164	0.046	0.123	0	0.23	0.031	0.019	0.118	0.104	0.028	0.098	0.072	0.099	0	0.016	0.037	0.02	0.002	0.046	0.06	0.168	0.002	0	0	0.071	0.026	0.009	0.036	0.077	0
ADMA	2.64	1.55	1.48	0	0.787	0.168	0.024	0	0.648	0.345	1.33	1.92	2.49	1.96	1.39	0.317	0.013	0.68	2.11	0.224	1.05	0.867	0.985	1.69	0.952	2.23	2.27	0.334	1.03	0.127	1.77	1.74	0.873	0.718	0.881	0.277	1.05	0.694	0	0.545	0.218	0.166	1.03	0.164	1.84	2.41	1.45	1.75	0	1.28
alpha-AAA	0.958	0.311	0.608	0.665	0.368	0.743	0.07	0.709	1.29	0.497	0.523	0.362	0.632	1.33	0.795	0.854	1.03	0.549	0.531	1.54	1.45	0.551	1.32	0.464	0.508	0.692	0.877	0.705	0.601	0.763	0.874	0.957	0.596	0.388	0.378	0.66	0.83	1.03	0.129	0.748	0.837	0.453	0.667	0.719	0.699	0.735	1.12	0.562	0.641	0.818
c4-OH-Pro	0.005	0	0.002	0.003	0.005	0.005	0	0	0	0.009	0.013	0	0.007	0	0.016	0.019	0	0	0.007	NA	0	0.006	NA	0.007	0.021	0.018	0	0.007	0	0.008	0	0.005	0	0	0.008	0	NA	0	0	0	0.003	0	0.006	0	0	0.007	0.006	0.034	0.004	0.006
Carnosine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Creatinine	1.77	10.9	17.3	46.3	2.48	11	9.89	5.32	21.7	9.44	14.1	8.13	10.2	11.6	18.4	15.8	7.98	15.4	21.6	4.5	7.4	15.7	9.12	4.42	8.55	5.8	13.6	18.3	9.24	17.5	9.21	4.09	59.5	10.7	10.8	2.01	6.99	8.47	4.48	2.2	8.88	7.04	11.4	6.03	7.44	13.7	8.94	13.7	37.7	11.7
DOPA	0.07	0	0	0.095	0.208	0.013	0.176	0.007	0.1	0.238	0.186	0.209	0.444	0.186	0	0.035	0.19	0.133	0.184	0	0.206	0.032	0.081	0.287	0.324	0.111	0	0.167	0.015	0.037	0.295	0	0.05	0.174	0.281	0.209	0.065	0.028	0.075	0.116	0.058	0.121	0.053	0.153	0	0.274	0.075	0	0.106	0.099
Dopamine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Histamine	0.304	0.15	0.164	0.197	0.183	0.152	0.164	0.252	0.157	0.161	0.198	0.162	0.152	0.2	0.192	0.165	0.157	0.224	0.155	0.199	0.187	0.222	0.17	0.203	0.149	0.228	0.149	0.144	0.158	0.158	0.181	0.186	0.183	0.174	0.158	0.202	0.158	0.165	0.158	0.186	0.17	0.49	0.173	0.164	0.288	0.232	0.187	0.202	0.166	0.162
Kynurenine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Met-SO	7.88	7.17	11.4	16.7	11.5	10.9	11.2	8.98	11	6.72	15	18.9	12.5	17.1	12.3	12.6	4.84	19.1	13.1	10.2	11.8	25.2	10.9	15	11.3	23.4	9.08	13.8	9.49	19.2	10.5	9.3	14.7	9.85	17.1	6.66	5.44	6.87	6.62	8.74	13.7	10.7	12.8	10.6	21.6	13.7	15.9	35.9	9.77	11.5
Nitro-Tyr	0	0	0.003	0.013	0.006	0	0.015	0	0	0	0.007	0	0.001	0	0	0	0	0.007	0	0	0	0	0	0	0	0	0	0	0.003	0	0	0	0	0	0	0	0	0	0.005	0	0	0	0	0	0	0	0	0	0	0
PEA	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Putrescine	39.1	66.3	39.5	23.1	34.9	24.8	36.6	30.1	50.2	37.6	74.2	39.7	70	27.9	26.7	49.4	38.4	33.5	52.2	49.4	50.1	33.7	60.8	62.7	33.9	26.4	55.4	51.4	64.9	46.6	37.9	55.6	43.8	56.6	49.1	60.8	49.9	38	46.8	45.4	43	29.6	33.6	18.9	43.5	29.9	52.4	34.4	52.2	45.3
SDMA	1.35	2.59	2.94	0.863	2.46	2.19	3.74	0.397	1.15	2.64	2.73	1.18	2.89	3.19	3.24	0.952	3.36	1.81	2.17	2.11	1.65	1.22	3.06	2.71	3.44	1.99	3.11	2	1.55	2.55	2.96	1.24	2.25	3.08	1.33	3.09	2.25	1.85	1.84	1.43	3.96	1.04	1.89	0.93	2.7	1.44	2.14	1.47	2.16	3.24
Serotonin	0.068	0.057	0.029	0.036	0.036	0.023	0.049	0.017	0.028	0.022	0.033	0.037	0.039	0.037	0.033	0.026	0.03	0.028	0.016	0.07	0.024	0.035	0.019	0.05	0.017	0.037	0.024	0.028	0.031	0.043	0.037	0.036	0.043	0.033	0.029	0.042	0.034	0.063	0.029	0.029	0.045	0.03	0.059	0.036	0.031	0.014	0.027	0.023	0.053	0.013
Spermidine	14.7	73.6	10.3	11.2	23.1	18	24.4	24.8	33.7	47.4	33	27	51.5	24.5	20.5	38.1	39.2	33.5	47.8	39.8	37.9	24.7	37.2	41.3	24.4	9.75	54.4	35	66.9	26.3	30.6	19.7	36	49	45	54.6	48.2	42.1	20.3	35.1	31.6	18.7	20.6	12.9	25.5	29.9	30.8	31.1	50.4	31.9
Spermine	1.13	3.37	0.313	0	0	0	0	1.3	0.672	0	0.702	0	0	0	0	5.05	4.02	0	3.32	3.05	0.132	0.354	1.56	0	0	3.13	0.386	1.62	0	0.463	0.467	0.562	0.475	0.437	0	0	NA	0	0.861	0.853	0.638	0.626	4.16	0.657	2.36	0.499	0.604	0	3.24	0
t4-OH-Pro	273	270	92.8	96.6	103	118	62.5	199	164	157	75.5	105	236	79.7	207	144	46.9	73.2	158	191	104	118	148	146	302	243	116	125	108	127	109	135	115	112	125	227	47.9	99	29.5	65.4	92.6	217	167	149	143	102	68.8	190	79.6	46.6
Taurine	728	759	799	773	746	673	682	682	717	794	656	654	746	773	695	708	760	716	747	746	801	694	729	724	716	678	737	734	679	789	797	662	693	716	713	745	684	721	735	736	693	734	719	691	649	697	645	743	712	682
Total DMA	1.51	3.9	2.32	2.15	2.65	3.01	3.57	0.891	1.76	2.84	3.58	2.32	2.09	3.18	2.43	1.7	1.95	1.61	2.08	2.4	2.47	1.41	2.85	3.23	2.29	1.84	3.58	2.11	2.15	2.88	3.26	1.79	2.55	2.65	2.33	3.89	3.16	1.37	1.58	1.74	2.28	1.56	1.62	1.56	1.94	2.88	2.76	1.9	2.08	3.11
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Biochemical Name	KEGG
Ala	Alanine	C00041
Arg	Arginine	C00062
Asn	Asparagine	C00152
Asp	Aspartate	C00049
Cit	Citrulline	C00327
Gln	Glutamine	C00064
Glu	Glutamate	C00025
Gly	Glycine	C00037
His	Histidine	C00135
Ile	Isoleucine	C00407
Leu	Leucine	C00123
Lys	Lysine	C00047
Met	Methionine	C00073
Orn	Ornithine	C00077
Phe	Phenylalanine	C00079
Pro	Proline	C00148
Ser	Serine	C00065
Thr	Threonine	C00188
Trp	Tryptophan	C00078
Tyr	Tyrosine	C00082
Val	Valine	C00183
Ac-Orn	Acetylornithine	C00437
ADMA	Asymmetric dimethylarginine	C03626
alpha-AAA	Alpha- Aminoadipic acid	C00956
c4-OH-Pro	cis-Hydroxyproline	C01015
Carnosine	Carnosine	C00386
Creatinine	Creatinine	C00791
DOPA	DOPA	C00355
Dopamine	Dopamine	C03758
Histamine	Histamine	C00388
Kynurenine	Kynurenine	C00328
Met-SO	Methioninesulfoxide	C02989
Nitro-Tyr	Nitrotyrosine	Not available
PEA	Phenylethylamine	C02455
Putrescine	Putrescine	C00134
SDMA	Sarcosine	C21189
Serotonin	Serotonine	C00780
Spermidine	Spermidine	C00315
Spermine	Spermine	C00750
t4-OH-Pro	trans-Hydroxyproline	C01157
Taurine	Taurine	C00245
Total DMA	Total dimethylarginine	C03626
METABOLITES_END
#END