#METABOLOMICS WORKBENCH catiapacifico_20200316_045902 DATATRACK_ID:1943 STUDY_ID:ST001349 ANALYSIS_ID:AN002243 PROJECT_ID:PR000919
VERSION             	1
CREATED_ON             	April 7, 2020, 12:44 pm
#PROJECT
PR:PROJECT_TITLE                 	Serum Metabolome of Simmental Dairy Cows Switched to High-Grain Diet during
PR:PROJECT_TITLE                 	Early Lactation
PR:PROJECT_SUMMARY               	In dairy cows, early lactation is associated with an energy deficit that is
PR:PROJECT_SUMMARY               	counteracted by increasing the amounts of grains in the diet. Yet, such diet
PR:PROJECT_SUMMARY               	often increases the odds for cows to develop digestive and systemic metabolic
PR:PROJECT_SUMMARY               	derailments, which can likely be detected as undesirable shifts in the serum
PR:PROJECT_SUMMARY               	metabolome. The present study aimed to identify the metabolic signatures of the
PR:PROJECT_SUMMARY               	serum metabolome of early lactation dairy cows fed high-grain diet.
PR:INSTITUTE                     	Institute of Animal Nutrition and Functional Plant Compounds
PR:DEPARTMENT                    	Department for Farm Animals and Veterinary Public Health
PR:LABORATORY                    	Christian Doppler Laboratory for Innovative Gut Health Concepts of Livestock
PR:LAST_NAME                     	Pacífico
PR:FIRST_NAME                    	Cátia
PR:ADDRESS                       	Veterinaerplatz 1
PR:EMAIL                         	catia.pacifico@vetmeduni.ac.at
PR:PHONE                         	+436608389796
#STUDY
ST:STUDY_TITLE                   	Multiparous and Primiparous Simmental Dairy Cows
ST:STUDY_SUMMARY                 	Targeted ESI-LC-MS/MS-based metabolomics was used to characterize metabolic
ST:STUDY_SUMMARY                 	alterations in the serum of cows, according to parities and feeding phase.
ST:INSTITUTE                     	Institute of Animal Nutrition and Functional Plant Compounds
ST:DEPARTMENT                    	Department for Farm Animals and Veterinary Public Health
ST:LABORATORY                    	Christian Doppler Laboratory for Innovative Gut Health Concepts of Livestock
ST:LAST_NAME                     	Pacífico
ST:FIRST_NAME                    	Cátia
ST:ADDRESS                       	Veterinaerplatz 1
ST:EMAIL                         	catia.pacifico@vetmeduni.ac.at
ST:PHONE                         	06608389796
ST:TOTAL_SUBJECTS                	24
ST:NUM_MALES                     	-
ST:NUM_FEMALES                   	24
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Bos taurus
SU:TAXONOMY_ID                   	9913
SU:GENDER                        	Female
#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           	-	cow 11_Day 7	Day:7 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.05.18
SUBJECT_SAMPLE_FACTORS           	-	cow 14_Day 7	Day:7 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.06.28
SUBJECT_SAMPLE_FACTORS           	-	cow 2_Day 7	Day:7 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.05.09
SUBJECT_SAMPLE_FACTORS           	-	cow 21_Day 7	Day:7 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.08.20
SUBJECT_SAMPLE_FACTORS           	-	cow 1_Day 14	Day:14 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.05.08
SUBJECT_SAMPLE_FACTORS           	-	cow 11_Day 14	Day:14 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.05.18
SUBJECT_SAMPLE_FACTORS           	-	cow 12_Day 14	Day:14 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.05.16
SUBJECT_SAMPLE_FACTORS           	-	cow 13_Day 14	Day:14 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.06.20
SUBJECT_SAMPLE_FACTORS           	-	cow 14_Day 14	Day:14 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.06.28
SUBJECT_SAMPLE_FACTORS           	-	cow 15_Day 14	Day:14 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.04.28
SUBJECT_SAMPLE_FACTORS           	-	cow 2_Day 14	Day:14 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.05.09
SUBJECT_SAMPLE_FACTORS           	-	cow 21_Day 14	Day:14 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.08.20
SUBJECT_SAMPLE_FACTORS           	-	cow 22_Day 14	Day:14 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.06.22
SUBJECT_SAMPLE_FACTORS           	-	cow 3_Day 14	Day:14 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.04.27
SUBJECT_SAMPLE_FACTORS           	-	cow 4_Day 14	Day:14 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.02.28
SUBJECT_SAMPLE_FACTORS           	-	cow 5_Day 14	Day:14 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.04.20
SUBJECT_SAMPLE_FACTORS           	-	cow 1_Day 21	Day:21 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.05.08
SUBJECT_SAMPLE_FACTORS           	-	cow 11_Day 21	Day:21 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.05.18
SUBJECT_SAMPLE_FACTORS           	-	cow 12_Day 21	Day:21 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.05.16
SUBJECT_SAMPLE_FACTORS           	-	cow 13_Day 21	Day:21 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.06.20
SUBJECT_SAMPLE_FACTORS           	-	cow 14_Day 21	Day:21 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.06.28
SUBJECT_SAMPLE_FACTORS           	-	cow 15_Day 21	Day:21 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.04.28
SUBJECT_SAMPLE_FACTORS           	-	cow 2_Day 21	Day:21 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.05.09
SUBJECT_SAMPLE_FACTORS           	-	cow 21_Day 21	Day:21 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.08.20
SUBJECT_SAMPLE_FACTORS           	-	cow 22_Day 21	Day:21 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.06.22
SUBJECT_SAMPLE_FACTORS           	-	cow 3_Day 21	Day:21 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.04.27
SUBJECT_SAMPLE_FACTORS           	-	cow 4_Day 21	Day:21 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.02.28
SUBJECT_SAMPLE_FACTORS           	-	cow 5_Day 21	Day:21 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.04.20
SUBJECT_SAMPLE_FACTORS           	-	cow 1_Day 42	Day:42 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.05.08
SUBJECT_SAMPLE_FACTORS           	-	cow 11_Day 42	Day:42 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.05.18
SUBJECT_SAMPLE_FACTORS           	-	cow 12_Day 42	Day:42 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.05.16
SUBJECT_SAMPLE_FACTORS           	-	cow 13_Day 42	Day:42 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.06.20
SUBJECT_SAMPLE_FACTORS           	-	cow 14_Day 42	Day:42 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.06.28
SUBJECT_SAMPLE_FACTORS           	-	cow 15_Day 42	Day:42 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.04.28
SUBJECT_SAMPLE_FACTORS           	-	cow 2_Day 42	Day:42 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.05.09
SUBJECT_SAMPLE_FACTORS           	-	cow 21_Day 42	Day:42 | Group:control | Parity:primiparous	Species=cow; Calving date=2018.08.20
SUBJECT_SAMPLE_FACTORS           	-	cow 22_Day 42	Day:42 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.06.22
SUBJECT_SAMPLE_FACTORS           	-	cow 3_Day 42	Day:42 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.04.27
SUBJECT_SAMPLE_FACTORS           	-	cow 4_Day 42	Day:42 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.02.28
SUBJECT_SAMPLE_FACTORS           	-	cow 5_Day 42	Day:42 | Group:control | Parity:multiparous	Species=cow; Calving date=2018.04.20
SUBJECT_SAMPLE_FACTORS           	-	cow 16_Day 7	Day:7 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2019.05.27
SUBJECT_SAMPLE_FACTORS           	-	cow 17_Day 7	Day:7 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.07.03
SUBJECT_SAMPLE_FACTORS           	-	cow 23_Day 7	Day:7 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.08.04
SUBJECT_SAMPLE_FACTORS           	-	cow 8_Day 7	Day:7 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.03.02
SUBJECT_SAMPLE_FACTORS           	-	cow 10_Day 14	Day:14 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.04.11
SUBJECT_SAMPLE_FACTORS           	-	cow 16_Day 14	Day:14 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.05.27
SUBJECT_SAMPLE_FACTORS           	-	cow 17_Day 14	Day:14 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.07.03
SUBJECT_SAMPLE_FACTORS           	-	cow 18_Day 14	Day:14 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.06.13
SUBJECT_SAMPLE_FACTORS           	-	cow 19_Day 14	Day:14 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.06.07
SUBJECT_SAMPLE_FACTORS           	-	cow 20_Day 14	Day:14 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.05.28
SUBJECT_SAMPLE_FACTORS           	-	cow 23_Day 14	Day:14 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.08.04
SUBJECT_SAMPLE_FACTORS           	-	cow 24_Day 14	Day:14 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.07.16
SUBJECT_SAMPLE_FACTORS           	-	cow 6_Day 14	Day:14 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.04.23
SUBJECT_SAMPLE_FACTORS           	-	cow 7_Day 14	Day:14 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.03.13
SUBJECT_SAMPLE_FACTORS           	-	cow 8_Day 14	Day:14 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.03.02
SUBJECT_SAMPLE_FACTORS           	-	cow 9_Day 14	Day:14 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.05.11
SUBJECT_SAMPLE_FACTORS           	-	cow 10_Day 21	Day:21 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.04.11
SUBJECT_SAMPLE_FACTORS           	-	cow 16_Day 21	Day:21 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.05.27
SUBJECT_SAMPLE_FACTORS           	-	cow 17_Day 21	Day:21 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.07.03
SUBJECT_SAMPLE_FACTORS           	-	cow 18_Day 21	Day:21 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.06.13
SUBJECT_SAMPLE_FACTORS           	-	cow 19_Day 21	Day:21 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.06.07
SUBJECT_SAMPLE_FACTORS           	-	cow 20_Day 21	Day:21 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.05.28
SUBJECT_SAMPLE_FACTORS           	-	cow 23_Day 21	Day:21 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.08.04
SUBJECT_SAMPLE_FACTORS           	-	cow 24_Day 21	Day:21 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.07.16
SUBJECT_SAMPLE_FACTORS           	-	cow 6_Day 21	Day:21 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.04.23
SUBJECT_SAMPLE_FACTORS           	-	cow 7_Day 21	Day:21 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.03.13
SUBJECT_SAMPLE_FACTORS           	-	cow 8_Day 21	Day:21 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.03.02
SUBJECT_SAMPLE_FACTORS           	-	cow 9_Day 21	Day:21 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.05.11
SUBJECT_SAMPLE_FACTORS           	-	cow 10_Day 42	Day:42 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.04.11
SUBJECT_SAMPLE_FACTORS           	-	cow 16_Day 42	Day:42 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.05.27
SUBJECT_SAMPLE_FACTORS           	-	cow 17_Day 42	Day:42 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.07.03
SUBJECT_SAMPLE_FACTORS           	-	cow 18_Day 42	Day:42 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.06.13
SUBJECT_SAMPLE_FACTORS           	-	cow 19_Day 42	Day:42 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.06.07
SUBJECT_SAMPLE_FACTORS           	-	cow 20_Day 42	Day:42 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.05.28
SUBJECT_SAMPLE_FACTORS           	-	cow 23_Day 42	Day:42 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.08.04
SUBJECT_SAMPLE_FACTORS           	-	cow 24_Day 42	Day:42 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.07.16
SUBJECT_SAMPLE_FACTORS           	-	cow 6_Day 42	Day:42 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.04.23
SUBJECT_SAMPLE_FACTORS           	-	cow 7_Day 42	Day:42 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.03.13
SUBJECT_SAMPLE_FACTORS           	-	cow 8_Day 42	Day:42 | Group:treatment | Parity:primiparous	Species=cow; Calving date=2018.03.02
SUBJECT_SAMPLE_FACTORS           	-	cow 9_Day 42	Day:42 | Group:treatment | Parity:multiparous	Species=cow; Calving date=2018.05.11
#COLLECTION
CO:COLLECTION_SUMMARY            	Blood samples were collected before the morning feeding from the jugular vein of
CO:COLLECTION_SUMMARY            	all animals using vacutainer tubes. Samples were allowed to clot at 25°C for 2
CO:COLLECTION_SUMMARY            	h and all tubes were then centrifuged at 2000 × g at 4°C for 15 min to
CO:COLLECTION_SUMMARY            	separate serum. Serum was pipetted into 2 mL tubes and stored at -80°C for
CO:COLLECTION_SUMMARY            	further analysis.
CO:SAMPLE_TYPE                   	Blood (serum)
#TREATMENT
TR:TREATMENT_SUMMARY             	The feed contained either no additive as a control (CON) or a mineral-based
TR:TREATMENT_SUMMARY             	endotoxin binder (EB).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Determination of the serum metabolome was carried out using a targeted
SP:SAMPLEPREP_SUMMARY            	metabolomics approach based on the Biocrates MxP® Quant 500 kit. Ten μL
SP:SAMPLEPREP_SUMMARY            	aliquots of the serum samples were processed according to the manufacturer’s
SP:SAMPLEPREP_SUMMARY            	instructions.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	RP-LC-MS/MS
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290
CH:COLUMN_NAME                   	-
CH:COLUMN_TEMPERATURE            	50 °C
CH:SOLVENT_A                     	1 L of water + 2 mL of formic acid
CH:SOLVENT_B                     	1 L of acetonitrile + 2 ml of formic acid
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:DETECTOR_TYPE                 	pulse counting detector
AN:SOFTWARE_VERSION              	Analyst 1.6.3.
AN:ACQUISITION_DATE              	12.6.2019-14.6.2019
#MS
MS:INSTRUMENT_NAME               	Sciex 6500+ QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	-
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	µM
MS_METABOLITE_DATA_START
Samples	cow 11_Day 7	cow 14_Day 7	cow 2_Day 7	cow 21_Day 7	cow 1_Day 14	cow 11_Day 14	cow 12_Day 14	cow 13_Day 14	cow 14_Day 14	cow 15_Day 14	cow 2_Day 14	cow 21_Day 14	cow 22_Day 14	cow 3_Day 14	cow 4_Day 14	cow 5_Day 14	cow 1_Day 21	cow 11_Day 21	cow 12_Day 21	cow 13_Day 21	cow 14_Day 21	cow 15_Day 21	cow 2_Day 21	cow 21_Day 21	cow 22_Day 21	cow 3_Day 21	cow 4_Day 21	cow 5_Day 21	cow 1_Day 42	cow 11_Day 42	cow 12_Day 42	cow 13_Day 42	cow 14_Day 42	cow 15_Day 42	cow 2_Day 42	cow 21_Day 42	cow 22_Day 42	cow 3_Day 42	cow 4_Day 42	cow 5_Day 42	cow 16_Day 7	cow 17_Day 7	cow 23_Day 7	cow 8_Day 7	cow 10_Day 14	cow 16_Day 14	cow 17_Day 14	cow 18_Day 14	cow 19_Day 14	cow 20_Day 14	cow 23_Day 14	cow 24_Day 14	cow 6_Day 14	cow 7_Day 14	cow 8_Day 14	cow 9_Day 14	cow 10_Day 21	cow 16_Day 21	cow 17_Day 21	cow 18_Day 21	cow 19_Day 21	cow 20_Day 21	cow 23_Day 21	cow 24_Day 21	cow 6_Day 21	cow 7_Day 21	cow 8_Day 21	cow 9_Day 21	cow 10_Day 42	cow 16_Day 42	cow 17_Day 42	cow 18_Day 42	cow 19_Day 42	cow 20_Day 42	cow 23_Day 42	cow 24_Day 42	cow 6_Day 42	cow 7_Day 42	cow 8_Day 42	cow 9_Day 42
Factors	Day:7 | Group:control | Parity:primiparous	Day:7 | Group:control | Parity:primiparous	Day:7 | Group:control | Parity:primiparous	Day:7 | Group:control | Parity:primiparous	Day:14 | Group:control | Parity:multiparous	Day:14 | Group:control | Parity:primiparous	Day:14 | Group:control | Parity:multiparous	Day:14 | Group:control | Parity:multiparous	Day:14 | Group:control | Parity:primiparous	Day:14 | Group:control | Parity:multiparous	Day:14 | Group:control | Parity:primiparous	Day:14 | Group:control | Parity:primiparous	Day:14 | Group:control | Parity:multiparous	Day:14 | Group:control | Parity:multiparous	Day:14 | Group:control | Parity:multiparous	Day:14 | Group:control | Parity:multiparous	Day:21 | Group:control | Parity:multiparous	Day:21 | Group:control | Parity:primiparous	Day:21 | Group:control | Parity:multiparous	Day:21 | Group:control | Parity:multiparous	Day:21 | Group:control | Parity:primiparous	Day:21 | Group:control | Parity:multiparous	Day:21 | Group:control | Parity:primiparous	Day:21 | Group:control | Parity:primiparous	Day:21 | Group:control | Parity:multiparous	Day:21 | Group:control | Parity:multiparous	Day:21 | Group:control | Parity:multiparous	Day:21 | Group:control | Parity:multiparous	Day:42 | Group:control | Parity:multiparous	Day:42 | Group:control | Parity:primiparous	Day:42 | Group:control | Parity:multiparous	Day:42 | Group:control | Parity:multiparous	Day:42 | Group:control | Parity:primiparous	Day:42 | Group:control | Parity:multiparous	Day:42 | Group:control | Parity:primiparous	Day:42 | Group:control | Parity:primiparous	Day:42 | Group:control | Parity:multiparous	Day:42 | Group:control | Parity:multiparous	Day:42 | Group:control | Parity:multiparous	Day:42 | Group:control | Parity:multiparous	Day:7 | Group:treatment | Parity:primiparous	Day:7 | Group:treatment | Parity:primiparous	Day:7 | Group:treatment | Parity:primiparous	Day:7 | Group:treatment | Parity:primiparous	Day:14 | Group:treatment | Parity:multiparous	Day:14 | Group:treatment | Parity:primiparous	Day:14 | Group:treatment | Parity:primiparous	Day:14 | Group:treatment | Parity:multiparous	Day:14 | Group:treatment | Parity:multiparous	Day:14 | Group:treatment | Parity:multiparous	Day:14 | Group:treatment | Parity:primiparous	Day:14 | Group:treatment | Parity:multiparous	Day:14 | Group:treatment | Parity:multiparous	Day:14 | Group:treatment | Parity:multiparous	Day:14 | Group:treatment | Parity:primiparous	Day:14 | Group:treatment | Parity:multiparous	Day:21 | Group:treatment | Parity:multiparous	Day:21 | Group:treatment | Parity:primiparous	Day:21 | Group:treatment | Parity:primiparous	Day:21 | Group:treatment | Parity:multiparous	Day:21 | Group:treatment | Parity:multiparous	Day:21 | Group:treatment | Parity:multiparous	Day:21 | Group:treatment | Parity:primiparous	Day:21 | Group:treatment | Parity:multiparous	Day:21 | Group:treatment | Parity:multiparous	Day:21 | Group:treatment | Parity:multiparous	Day:21 | Group:treatment | Parity:primiparous	Day:21 | Group:treatment | Parity:multiparous	Day:42 | Group:treatment | Parity:multiparous	Day:42 | Group:treatment | Parity:primiparous	Day:42 | Group:treatment | Parity:primiparous	Day:42 | Group:treatment | Parity:multiparous	Day:42 | Group:treatment | Parity:multiparous	Day:42 | Group:treatment | Parity:multiparous	Day:42 | Group:treatment | Parity:primiparous	Day:42 | Group:treatment | Parity:multiparous	Day:42 | Group:treatment | Parity:multiparous	Day:42 | Group:treatment | Parity:multiparous	Day:42 | Group:treatment | Parity:primiparous	Day:42 | Group:treatment | Parity:multiparous
Ala	260	307	253	160	153	248	193	305	333	267	252	224	180	194	212	264	236	213	150	259	279	256	182	201	224	175	214	241	282	238	143	248	300	225	292	204	229	262	223	162	363	203	190	257	210	299	176	179	272	220	225	196	167	237	150	210	194	234	203	250	200	173	243	258	211	236	181	208	205	274	220	159	246	207	225	236	239	253	211	266
Arg	87.5	89.5	60.5	55.6	63	110	58.1	87.8	85.9	84.6	65.2	69.1	69.2	69.4	49.4	90	67.1	73.3	49.9	80	104	69.9	67.1	73.9	137	48.5	84	74.1	185	80.1	94.5	82.6	145	85.8	76.4	75.4	103	67.1	108	54.4	60.6	74.6	78.6	75.3	73.2	91.2	72.5	72.8	76.3	62	86.5	84.5	64.5	79.1	84.7	59.1	78.2	110	63.2	96.9	78	102	108	80.6	81.4	86.7	82.2	69.6	43.4	102	88.9	129	61.7	77.1	99.7	146	51.4	94.4	102	87.3
Asn	50	53.2	53.6	35.2	76.5	54.8	133	57.6	55	52.9	56.4	46.6	34.5	42.8	44.1	70.6	53.7	39.2	30.6	74.1	53.9	68	49.3	39.1	55.4	56.6	52.2	55.2	61.6	49.9	47.6	48	101	42	52	35.3	40.5	81.5	37.8	37.6	53.3	42.4	27.7	46.2	58.7	63.4	53.4	47.3	61.6	43.4	47.6	42.5	46.1	61.1	64.7	37.2	58.6	59.4	48.5	49.8	70.5	54.6	57.5	58.9	39.5	54.4	47.6	51	45.7	61.2	71	48.1	36.2	45	48	66.8	40.7	66	54.4	54.3
Asp	15	11.5	13.1	11.2	11.5	11.3	17.6	16.9	13.4	11.9	13.4	10.2	9.94	12.7	13.3	11.6	12.5	12.4	11	13.9	15	19.1	8.16	13.8	11.9	7.02	19.8	10.2	12.8	12.2	8.58	8.76	11.7	11.5	9.21	12.2	7.53	14.3	12	6.14	14.7	16	8.03	12.2	14.5	11.6	8	12	10.8	13.2	10.2	14.2	12.8	11.3	12.1	17.5	9.34	12.6	9.26	19.2	9.24	13.9	14	11.5	12	10.8	9.96	15.2	9.31	19.3	8.18	8.04	9.66	14.5	8.71	8.35	13.3	15.2	12.5	17.8
Cys	34.1	44.6	36.5	41	35.3	38.4	30.4	51.1	42.5	53.8	25.6	54.8	48.3	44.4	59.4	52.6	48.1	48.5	43.1	51.9	48.2	66.6	39.2	56.9	62.7	55.9	62	51.9	57.3	45.4	45.5	49.2	50.4	64.1	48.5	69.9	62.7	52.7	76.3	56.7	35.2	29.4	49.2	33.6	43.9	40	35.2	45.8	52.9	52.2	47.9	50.5	36.8	36.7	39.1	36.3	58	47.7	42	58.7	44.4	55.5	48.6	57.2	38.7	43.8	48.7	37.4	58	55.1	38.3	50.8	38.7	65.6	48.3	57.7	60.9	54.9	55.6	55.8
Gln	289	352	293	321	179	308	296	619	367	292	302	339	231	296	277	309	304	282	238	551	374	282	206	309	376	263	298	354	401	256	350	404	413	243	299	299	280	226	355	293	256	331	241	254	360	380	346	221	386	391	290	364	207	358	310	246	328	319	429	287	395	435	297	426	252	331	227	291	394	391	363	260	273	355	283	437	290	352	375	404
Glu	42.9	53.9	44.8	55.1	51.1	57.1	39.5	53.3	56.4	44.6	43	63.8	38.1	40.4	31	42	39.9	53	44.8	48.7	70.2	51.9	52.9	83	59.2	35.9	40.4	28.8	34.4	42.8	34.2	43.9	49.2	44.1	41.4	69.5	32.1	37.5	30.1	23.6	50.4	32.9	27.1	39.9	37.7	43.4	38.4	47.1	55.7	42.4	42.4	28.8	44.5	27.1	57.7	40.3	47.5	52.4	41.2	54.4	44.8	51.5	37.4	40.9	45.8	42.7	43.8	41.2	30.3	53.4	33.8	52.7	44.3	39.2	39.1	31.5	47.8	38.7	48.7	40.3
Gly	352	246	435	241	293	332	356	414	272	268	146	265	377	409	339	419	453	303	342	348	328	294	216	435	455	310	159	367	327	326	445	310	374	275	253	169	432	190	388	437	399	354	465	388	406	365	256	395	505	282	387	550	417	322	294	536	539	292	200	413	510	279	491	620	191	323	413	341	458	410	267	254	203	258	432	208	352	456	341	371
His	17	59.1	70	67.9	39.1	17.2	17.6	35.7	46.2	32.3	64	42.6	43.9	57.3	42.3	53.8	66.8	19.6	47.2	44.7	37.3	54.3	37.5	80.4	66.3	84.4	64.7	64.9	59.3	44.1	60.7	29.6	66.4	39.7	58.8	58.5	48.6	48.7	135	61.6	47.3	53.6	37.9	43.3	94	53.1	36.7	49.2	35	38.3	71.2	49.9	56.8	33.6	32.5	51.9	57.4	55	44.3	53.3	58.2	92.4	52.9	95	53.4	56.2	66.3	65.3	58.5	57.6	61.3	49.9	56.2	79.3	59.6	71.7	49.8	72.7	59.6	69
Ile	86.3	132	104	77.6	89.6	103	115	111	142	93	98.1	108	78.5	90.5	90.1	127	110	99	82.4	105	140	138	111	103	105	85	97.9	122	158	105	179	106	168	145	126	113	126	120	116	90.1	118	94.1	86.2	80	91	117	102	81.5	79.8	98.7	92.4	98.7	83.4	99.6	112	76.4	111	129	94.7	107	110	121	121	110	110	115	91.8	91.8	50.4	137	127	112	87.5	121	135	138	114	102	106	86.3
Leu	86.6	136	112	96.4	88	94.2	103	110	142	106	106	123	81.1	101	101	132	118	78.8	87.8	101	133	140	120	108	116	91.7	111	128	192	107	190	119	172	170	124	122	145	122	139	95.8	109	102	109	93	102	130	97.9	79.7	92.6	106	91.2	91	89.8	106	110	75.5	113	147	98.2	115	123	133	133	117	125	118	85.3	86.3	54.1	133	133	134	106	160	150	152	117	120	133	99.2
Lys	88.4	106	80.4	57.4	64.2	78.2	76.5	106	126	77.2	70.3	87.1	63.7	75.3	73.9	102	73.7	73.6	44.7	86.7	120	89.6	79.3	89	124	66.7	103	105	104	91.7	116	88.2	153	106	81.9	92	109	81.8	118	63.3	68.8	75.8	81	72.6	75.4	90.1	70.7	70	78.4	81	79	83.7	71.7	75.2	96.3	60.8	91.5	86.6	74.9	92	78.1	126	108	88.1	80	86.3	59.5	68.2	48.5	107	80	97.1	69.5	138	108	111	77.4	91.6	103	84.1
Met	28.2	34.8	28.9	26.7	21.5	30.8	21.4	29.1	38.2	30.8	28.9	30.6	25.5	23.6	25	27.9	27.2	26.1	17.3	34.1	36.5	29.1	26.6	28.7	37.1	26.8	26.8	25.5	34.6	28.1	27.4	34.5	48.6	29.6	26.9	35.3	28.4	32.9	36.7	23	34.4	25.8	27.3	29.4	29.4	28.6	25.3	27.6	23.9	30.7	27.4	24.9	20.3	26	30.2	27.8	33.4	32.6	21.4	27.1	24.6	35	30.6	29.1	22.3	29.6	25.4	35.4	16.3	34.5	27.7	34.5	15.3	33.2	31.3	42.5	21.6	50.5	31	35.1
Phe	48.2	59.2	61.7	50.7	48.6	61	61.6	64.5	69.2	70.4	52.2	75.3	38	55	51.9	60.9	51.6	46	49.2	63	73.4	70.2	75.4	54.8	61.8	52.1	61.6	59.7	72.6	50.5	58.6	58.1	84.7	72.2	58.3	55.4	61.9	60.4	59.7	50.1	67.6	56.7	49.7	56	68.7	58.2	56.3	60.7	49.1	64.5	50.8	60.7	59.9	69	50.1	45.1	63.8	73.3	58.8	64.1	62	63	49.6	74.1	89	63.2	48.5	53.1	29	56	55.5	50.9	39.9	69.7	69.6	81.7	65.8	71	61.5	59.7
Pro	88.7	96.2	101	57.2	78.6	92.2	88.6	116	107	91.8	92.7	85.3	63.8	76.5	67.7	83.5	112	71.5	93.2	121	105	118	72.5	102	105	79.1	87.7	94.7	140	77	107	100	113	98.3	102	74.8	117	100	115	79.1	111	87.1	74.1	88.9	77.1	119	93.8	91.4	95.7	87.5	92.3	94.9	85.5	95.2	81.7	69.1	91.4	101	90.8	117	110	97.4	105	128	81.5	96.4	81.9	89.8	94.6	89.7	97.7	100	77.3	83.7	84.9	149	110	107	97	115
Ser	133	115	134	90.9	102	143	145	166	147	117	103	119	89.3	87.9	120	137	142	104	92.4	138	134	138	92.3	88.7	139	108	130	150	243	102	143	117	132	112	114	80.8	183	42	147	143	120	117	103	120	146	134	101	160	168	117	130	131	154	110	105	62.8	137	112	97.1	198	128	116	159	172	70.9	109	123	78.2	109	51.1	107	122	80.7	149	91.7	155	181	116	138	147
Thr	90.9	127	95.4	101	110	105	70.8	145	150	96.3	89.2	102	80.3	92.3	101	134	119	72.4	44.5	141	175	99.4	72.1	55.1	122	90.7	110	195	139	106	94	148	171	104	89.2	82.1	82.3	88.3	130	112	115	132	95.6	119	99.1	138	64.6	101	106	81.4	136	121	85	87.5	119	120	103	97.2	83.6	115	100	92.9	120	108	82.5	114	89.6	123	61.5	117	105	101	64.3	91.9	86.2	134	102	119	84.8	116
Trp	54	46	51	42.9	50.5	50.9	55.1	81.2	57.4	54	49	39	45.1	49.2	54.5	60.3	52.7	47.6	44.9	69.7	50.4	55.6	54.2	49.1	53.7	42.8	63.9	64.7	74.2	55.2	62.1	74.5	69.7	50.5	48.2	49.1	56	46.1	71.4	53.2	52.5	46.6	32.9	55.5	79	54.6	51.2	45.3	52.4	56.5	51.9	52.7	44.5	47.3	55.5	41.9	82.4	52.8	56.4	48.8	49.3	62.4	58.9	61.3	48.7	58.2	51.5	50.1	70.9	55.4	53.4	63.2	38.9	62.4	55.2	67.2	51	53.3	72	57.5
Tyr	32.1	42.6	36.4	34.3	36.2	40.9	37	57.4	54.4	41.5	45.9	32.4	46.7	39.6	37.8	61.7	60.5	33.3	24.9	54.8	66.2	50.1	53.2	51	64.8	33	44.6	53.6	61.1	32.4	39.8	53.4	74.6	40.3	45.1	43.4	55.2	46	55.8	33.5	47.2	41.4	27.3	32	52.1	51.1	44.6	35.1	37.9	38.9	36.1	51.6	46.5	51.8	43.3	32.1	53.5	55	41.5	38.6	36.4	52.4	49.4	64.4	41.8	72.4	35.9	47.1	26.9	48.5	43	42.9	26.3	38.9	55.9	75.5	36.1	62	39	40
Val	192	236	219	172	173	193	179	179	254	186	219	205	163	183	201	218	253	184	197	199	242	261	226	220	222	172	243	256	310	210	308	199	345	270	238	259	263	222	234	181	217	190	178	208	163	226	166	161	175	205	178	188	158	185	222	133	181	235	207	225	229	261	239	223	219	223	207	172	141	271	245	227	200	286	248	271	229	210	247	213
beta-Ala	17.4	19.7	15	10.4	10.8	16.6	11.6	16.7	19.2	16.3	20.4	12.6	10.8	12.6	13	16.4	15	13.6	9.77	13.5	16.3	16.8	11.5	13.3	15	13.1	15.3	12.1	15.9	13.8	11.5	14.9	19.9	16.6	16.8	13	13.1	14.8	15.8	12.2	18.8	13.5	10.1	14.9	13	19	13	14.4	14	16.1	13.8	13.4	9.3	16	11.2	10.3	10.5	13.7	12.7	12.2	15.5	17.9	14.3	16.4	14	16.7	11.4	13.2	10.3	13	15	12.7	17.1	14.2	13.4	16.5	14.4	18.7	12.8	13.7
GABA	0.136	0.113	0.218	0.128	0.144	0.118	0.09	0.235	0.171	0.155	0.075	0.119	0.116	0.089	0.128	0.109	0.135	0.121	0.11	0.275	0.159	0.152	0.133	0.112	0.112	0.068	0.104	0.125	0.139	0.124	0.101	0.333	0.192	0.144	0.143	0.113	0.09	0.099	0.109	0.103	0.175	0.179	0.09	0.161	0.056	0.129	0.112	0.123	0.183	0.152	0.091	0.125	0.1	0.104	0.103	0.092	0.133	0.149	0.129	0.181	0.176	0.16	0.107	0.13	0.083	0.107	0.108	0.309	0.128	0.186	0.123	0.14	0.137	0.082	0.102	0.058	0.121	0.147	0.101	0.096
Histamine	0.233	0.238	0.246	0.233	0.245	0.224	0.229	0.237	0.236	0.235	0.239	0.236	0.237	0.24	0.238	0.242	0.247	0.233	0.236	0.238	0.238	0.244	0.238	0.231	0.236	0.243	0.237	0.238	0.24	0.238	0.234	0.232	0.243	0.232	0.238	0.24	0.234	0.238	0.242	0.234	0.243	0.236	0.246	0.235	0.235	0.239	0.238	0.241	0.236	0.238	0.232	0.235	0.238	0.236	0.238	0.24	0.238	0.246	0.24	0.237	0.24	0.244	0.24	0.241	0.249	0.238	0.234	0.241	0.236	0.24	0.244	0.237	0.234	0.244	0.237	0.251	0.244	0.237	0.242	0.24
Putrescine	0.162	0.078	0.092	0.061	0.096	0.082	0.076	0.102	0.078	0.095	0.053	0.069	0.079	0.11	0.084	0.109	0.107	0.089	0.071	0.102	0.055	0.082	0.111	0.106	0.065	0.097	0.066	0.083	0.086	0.06	0.058	0.066	0.081	0.074	0.066	0.176	0.117	0.031	0.088	0.067	0.091	0.082	0.093	0.068	0.073	0.075	0.075	0.063	0.112	0.097	0.071	0.066	0.082	0.095	0.115	0.076	0.078	0.089	0.058	0.073	0.08	0.105	0.038	0.073	0.087	0.071	0.076	0.091	0.067	0.084	0.069	0.06	0.064	0.083	0.069	0.055	0.093	0.071	0.113	0.075
Serotonin	4.94	3.56	8.03	7.69		2.17	8.71	4.26	10.6	7.4	4.89	2.62		0.37	5.86	3.72	4.75	5.49	5.55	2.83	6.96	6.48	2.57	1.52	6.49	0.354	2.72	4.67	10.4	2.07	4.21	2.57	3.63	5.39	2.65	1.84	10.1	0.419	3.38	2.14	9.51	0.787	1.77	7.1	2.76	5.81	0.375	4.34	3.46	5.69	1.12	1.35		3.2	2.29	5.42	5.36	4.93	0.521	8.35	1.37	4.28	0.848	0.685	5.6	2.97	2.23	3.94	3.36	8.74	0.491	3.12	1.98	2.77	0.71	0.278	6.82	2.93	3.68	6.86
Spermidine	0.129	0.18	0.138	0.211	0.144	0.1	0.163	0.167	0.215	0.113	0.252	0.122	2.5	0.461	0.211	0.119	0.145	0.196	0.475	0.124	0.107	0.212	1.24	0.121	0.129	0.224	0.298	0.158	0.131	0.127	0.103	0.478	0.118	0.172	0.155	0.156	0.124	0.118	0.127	0.271	0.393	0.282	0.395	0.538	0.139	0.416	0.224	0.231	0.188	0.234	0.112	0.309	0.133	0.133	0.127	0.118	1.04	0.113	0.308	0.18	0.335	0.139	0.118	0.318	0.149	0.234	0.492	0.157	0.125	0.132	0.232	0.158	0.498	0.192	0.217	0.255	0.171	0.137	0.365	0.174
Spermine	0.107	0.161	0.121	0.162	0.162	0.05	0.125	0.209	0.205	0.077	0.304	0.066	3.44	0.925	0.203	0.12	0.124	0.174	0.554	0.097	0.067	0.249	2.19	0.073	0.101	0.327	0.432	0.199	0.1	0.12	0.063	0.627	0.062	0.111	0.136	0.162	0.114	0.066	0.075	0.262	0.452	0.372	0.36	0.836	0.077	0.661	0.256	0.235	0.249	0.278	0.092	0.504	0.125	0.093	0.083	0.122	1.69	0.077	0.439	0.181	0.436	0.13	0.086	0.377	0.096	0.496	0.645	0.127	0.081	0.135	0.245	0.214	0.582	0.146	0.226	0.352	0.194	0.109	0.594	0.225
3-IAA	0.068	0.11	0.09	0.174	0.137	0.106	0.144	0.309	0.217	0.081	0.081	0.204	0.184	0.151	0.113	0.131	0.171	0.07	0.076	0.151	0.191	0.066	0.038	0.189	0.168	0.227	0.079	0.116	0.17	0.121	0.16	0.13	0.084	0.077	0.084	0.142	0.204	0.161	0.181	0.137	0.066	0.126	0.145	0.12	0.096	0.079	0.068	0.096	0.194	0.092	0.22	0.152	0.051	0.193	0.148	0.114	0.099	0.125	0.082	0.082	0.254	0.126	0.099	0.159	0.3	0.181	0.276	0.377	0.121	0.128	0.302	0.293	0.128	0.16	0.118	0.109	0.087	0.223	0.116	0.104
3-IPA	0.086	0.122	0.244	0.196	0.363	0.198	0.663	0.095	0.201	0.102	0.182	0.188	0.098	0.113	0.153	0.291	0.089	0.12	0.222	0.06	0.075	0.07	0.417	0.082	0.09	0.031	0.214	0.289	0.179	0.241	0.236	0.157	0.143	0.113	0.248	0.078	0.257	0.183	0.249	0.377	0.133	0.098	0.213	0.117	0.218	0.145	0.134	0.14	0.109	0.23	0.319	0.247	0.193	0.178	0.176	0.119	0.105	0.078	0.062	0.093	0.028	0.255	0.173	0.075	0.119	0.118	0.082	0.231	0.122	0.067	0.109	0.107	0.025	0.103	0.193	0.124	0.362	0.126	0.082	0.152
1-Met-His	4.44	5.13	4.48	4.45	3.74	3.98	6.39	5.7	3.79	4.41	3.67	5.04	5.28	6.13	3.25	4.52	2.79	3.78	4.16	4.53	2.98	3.15	2.68	3.32	4.4	2.74	2.4	5.28	2.6	5.73	3.91	3.95	4.63	5.08	3.31	3.87	5.59	3.34	2.19	6.78	3.41	4.48	5.05	4.28	4.74	2.9	3.72	3.29	2.85	3.4	4.58	3.34	3.47	5.91	3.21	4.67	3.97	2.43	2.54	4.09	3.23	3.69	2.72	3.58	3.36	5.73	3.77	3.15	3.75	3.47	4.58	5.61	4.86	5.56	3.46	5.07	2.99	5.81	5.38	3.15
3-Met-His	4.94	6.61	4.75	5.1	5.16	4.77	5.45	7.64	5.25	3.98	4.18	7.01	8.36	4.48	3.63	7.93	4.98	3.67	4.22	4.95	4.16	3.87	3.54	4.81	10.8	4.87	3.76	9.98	5.19	4.03	3.57	5.23	3.91	5.12	3.37	4.33	8.77	3.43	4.15	5.78	3.89	8.18	6.89	6.16	5.93	4.1	4.8	5.22	4.02	6.16	5.83	3.78	3.81	5.54	4.97	3.96	8.27	2.96	6.7	6.36	5.49	5.59	3.49	4.98	5.16	4.62	5.39	6.18	6.45	3.6	4.17	4.66	3.61	6.11	5.6	5.42	3.11	3.47	9.81	3.62
5-AVA	1.1	0.645	1.31	0.806	0.742	1.54	1.02	2.19	0.776	1.33	0.896	0.934	2.52	3.68	1.12	1.74	1.75	3.17	1.45	12.3	1.82	3.56	1.01	1.76	2.24	2.65	1.18	1.6	1.05	1.49	1.84	2.61	1.19	1.34	0.74	0.893	2.49	0.899	1.08	1.25	1.37	1.18	1.16	1.74	1.25	0.898	1.02	1.84	2.9	1.76	1.48	2.07	0.852	1.72	0.828	1.35	1.64	3.38	2.49	2.22	4.52	3.26	1.39	4.41	1.18	4.51	1.65	3.02	1.96	3.22	1.32	2.44	3.88	1.36	1.3	1.22	0.939	1.99	2.23	1.35
AABA	4.56	4.25	4.67	3.55	3.54	3.69	7.74	3.39	6.29	5.65	4.62	2.95	5.69	4.97	3.6	5.69	2.59	3.1	6.4	2.64	2.77	3.44	1.91	2.46	7.33	1.54	3.66	8.62	4.28	2.93	5.71	2.62	4.81	6.12	2.72	4.36	7.34	3.57	4.05	3.61	7.04	4.41	5.68	5.69	3.3	3.77	4.56	4.57	3.17	4.23	3.52	3.48	8.44	7.33	5.33	3.84	1.77	3.68	3.97	5.87	4.09	3.34	2.17	3.22	2.85	4.59	1.58	2.5	2.62	5.47	4.28	3.53	2.8	3.34	2.4	2.39	2.86	1.96	4.1	2.93
ADMA	0.498	0.523	0.52	0.442	0.29	0.558	0.532	0.543	0.465	0.359	0.647	0.401	0.525	0.392	0.338	0.569	0.532	0.35	0.365	0.637	0.632	0.534	0.328	0.662	0.63	0.383	0.484	0.662	0.229	0.403	0.508	0.225	0.67	0.476	0.416	0.518	0.91	0.371	0.436	0.427	0.516	0.606	0.581	0.538	0.527	0.508	0.373	0.44	0.523	0.625	0.671	0.407	0.333	0.49	0.481	0.283	0.466	0.566	0.454	0.729	0.459	0.704	0.449	0.546	0.323	0.471	0.71	0.498	0.408	0.6	0.329	0.565	0.437	0.602	0.716	0.691	0.401	0.473	0.67	0.301
alpha-AAA	2.3	2.8	2.97	1.79	1.43	1.67	3.07	1.3	3.15	2.05	1.98	2.86	2.14	1.83	3.02	2.93	3.2	1.84	2.61	1.17	2.61	2.81	2.38	2.47	2.19	2.42	4.29	4.99	3.13	3.08	2.98	1.23	2.53	2.88	2.61	2.8	4.88	1.98	2.99	3.54	1.71	2.42	1.47	2.64	0.811	1.76	1.48	1.82	3.82	3.95	2.26	1.54	3.65	2.77	1.67	1.82	1.55	1.43	2.77	2.17	2.03	3.26	1.71	2.16	3.48	3.44	1.93	2.39	1.9	2.45	3.63	1.91	3.96	3.57	1.76	2.05	3.71	3.2	2.12	3.4
Anserine	0.496	0.409	0.398	0.451	0.354	0.399	0.398	0.416	0.38	0.397	0.461	0.47	1.21	0.664	0.329	0.308	0.424	0.295	0.428	0.656	0.382	0.36	0.319	0.228	0.797	0.533	0.275	0.556	0.525	0.344	0.452	0.317	0.357	0.357	0.368	0.367	0.759	0.347	0.414	0.445	0.536	0.35	0.685	0.469	0.46	0.406	0.362	0.345	0.343	0.58	0.446	0.537	0.404	0.3	0.349	0.4	0.574	0.426	0.414	0.533	0.386	0.425	0.436	0.542	0.348	0.274	0.285	0.323	0.413	0.399	0.325	0.42	0.548	0.62	0.483	0.528	0.377	0.298	0.589	0.303
BABA	0.14	0.11	0.095	0.14	0.113	0.137	0.164	0.14	0.163	0.304	0.097	0.145	0.076	0.258	0.162	0.21	0.131	0.156	0.211	0.141	0.147	0.168	0.119	0.089	0.24	0.146	0.075	0.187	0.096	0.101	0.103	0.148	0.181	0.188	0.139	0.156	0.127	0.086	0.087	0.143	0.156	0.058	0.165	0.181	0.118	0.077	0.278	0.163	0.164	0.095	0.162	0.092	0.2	0.144	0.094	0.304	0.157	0.107	0.114	0.088	0.103	0.139	0.109	0.116	0.163	0.108	0.118	0.186	0.143	0.151	0.188	0.178	0.138	0.113	0.156	0.095	0.133	0.194	0.089	0.114
Betaine	10.9	17.4	11.5	9.61	17.9	7.81	91.4	18.1	10.7	15.1	9.5	10.6	9.26	18.5	45.6	23.1	18.2	6.15	65.3	15.8	9.78	15.3	8.72	8.8	13.7	14.2	43.3	14.9	14.4	6.4	27.6	11.7	12.6	15.8	14.7	8.53	36.6	15.6	44.3	11.3	10.7	12.4	17.9	9.32	19.6	8.43	11.2	15.9	10.6	14.5	13	14.7	29.9	13.2	4.52	21.2	19.2	4.78	10.1	16.6	8.08	11.1	8.94	15.3	18.6	8.96	5.98	16.1	12.8	3.07	7.87	10.1	9.56	15.4	11	10.1	31.8	5.1	8.55	12.2
c4-OH-Pro	18	18.6	26.8	13.8	12.4	19.1	11.4	15.9	16.5	10.4	19.3	27.8	10.7	13.8	21.9	9.12	10.6	11.8	6.62	17.5	14.9	8.45	13.1	18.9	17	11.5	10.7	8.39	7.96	13.6	7.22	14	29.5	9.48	13.9	15.8	13.4	7.09	13.5	8.16	15.3	24.3	15.7	23	16.1	19.6	26	11.2	10.5	15.3	13.7	13.7	13	10.4	16.8	7.88	10.9	14.8	20.9	11.4	12.1	10.7	15.4	14.8	12.1	9.99	14.6	8.6	7.84	15.3	16.4	11.6	9.83	9.07	12.1	12.3	10.4	10.6	14.9	6.85
Carnosine	14.3	19.7	14.8	6.66	18.8	24.6	7.68	7.06	29.6	10.2	9.15	10.9	9.55	12.5	21.7	16.3	12.6	31.2	7.76	11	10.9	9.83	11.9	9.72	12	18	11.5	20.5	18.8	18.7	11.2	5.82	18.4	16.5	11.9	19.5	25.9	11.9	13.9	25.8	25.5	21.3	15.6	15.2	13.6	18.7	7.84	7.74	13.5	18.7	10.5	15.8	10.3	7.24	14.1	13.9	13.6	13.8	11.1	8.95	10.5	26.1	12	15.3	11	13.2	7.57	11.7	19.9	15.1	14.5	32.6	25.9	27.5	15.3	19.4	18.2	11	25.9	13.6
Cit	80.9	74.3	89.5	55.8	54.6	82.6	66.9	61	65.1	76.5	88.5	62.2	85.7	103	55.1	110	66.6	69	83.1	69.9	73.2	76.4	73.9	65.7	128	105	91.2	96.1	86	83.6	108	70.1	69.1	116	65.4	60.3	136	80.3	82.4	85.5	87	83.3	91.4	90.3	65.3	71.4	67.9	72.5	71.6	101	84.3	66.3	88.4	98.1	80.2	101	75.1	70.2	70.4	89	80.7	112	102	66.2	96	64.3	83	110	31.8	82.6	78.5	130	89.4	107	76.6	102	81.1	82.6	117	94.2
Creatinine	123	101	112	104	105	110	111	121	97.8	118	105	114	140	122	91.7	117	116	129	110	108	94.3	108	88.8	87.3	111	129	77.8	120	114	113	96.6	95.2	111	103	99.3	92.6	125	96.1	87.7	115	120	82.8	128	134	116	104	85.8	85.5	115	116	110	96.6	101	114	115	89.6	127	114	94	105	101	102	89.9	98.9	85.8	94.1	117	90.2	98.1	120	91.2	105	101	102	97.9	117	97.1	109	129	77.9
Cystine	8.09	12.7	9.16	13.2	9.98	9.59	7.2	14.3	12.7	18.2	10.4	16	13.3	14.7	17.7	16.4	14.6	12	10.7	14.1	16	22.1	15	26.2	28.9	17.1	26.4	12.6	19.6	15.5	16.3	15.7	25.5	22.6	17.6	18.8	21.4	19.1	29	18.9	9.16	6.77	15.2	7.94	13.5	11.6	9.36	16.9	16.7	17.1	16.3	15	12.6	10.3	11.2	9.71	20.9	15.4	10.2	26.3	14.9	14.9	16.4	24.5	9.13	13.9	20.6	11.9	22.8	17.1	12.6	20.2	16	22	16.1	24.7	17.7	18	15.8	18.7
DOPA	0.209	0.209	0.198	0.215	0.227	0.194	0.189	0.236	0.224	0.208	0.234	0.204	0.221	0.222	0.209	0.219	0.209	0.209	0.198	0.209	0.234	0.209	0.243	0.206	0.205	0.199	0.215	0.206	0.22	0.216	0.192	0.215	0.209	0.209	0.189	0.209	0.209	0.209	0.198	0.199	0.231	0.218	0.209	0.209	0.23	0.23	0.209	0.209	0.181	0.17	0.209	0.232	0.209	0.199	0.231	0.199	0.21	0.223	0.225	0.195	0.209	0.209	0.217	0.209	0.23	0.238	0.222	0.23	0.202	0.209	0.215	0.205	0.206	0.209	0.209	0.236	0.209	0.24	0.209	0.22
HArg	1.17	2.25	0.948	1.21	1.09	1.52	1.14	1.33	2.03	1.32	1.34	1.39	0.95	1.3	1.22	1.16	0.693	1.63	1.13	0.675	1.95	1.47	0.943	1.73	2.69	0.859	1.54	1.78	2.8	1.93	1.64	1.1	2.31	2.73	1.39	2.31	1.56	0.937	2.68	1.27	0.769	0.885	1.08	1.15	0.808	1.22	1.01	0.859	0.904	2.18	1.09	0.885	0.865	1.98	1.59	0.825	1.08	1.86	1.6	1.49	0.834	2.41	1.67	1.11	2.23	1.68	2.01	1.05	0.8	2.02	2.01	1.86	1.24	3.52	1.94	1.42	1.07	1.72	1.55	1.1
HCys	9.17	13	13.9	11.1	16.1	12.8	13	12.5	17.2	12.6	14.2	15.1	13.3	17.9	11	15.9	6.74	11.8	9.5	11.6	15.3	10.5	13.9	15.4	15.5	11.6	11.9	9.45	15.9	15.6	17.1	12.2	17.5	9.1	14.6	15.8	9.69	11.9	15.5	14	14.2	9.41	8.64	9.46	14.2	11.7	8.24	13.2	10.1	13.2	12.7	10.1	12.5	11.6	10.1	9.92	15.3	15.7	10.3	12.8	8.38	11.7	9.21	12.5	9.46	14.5	15.7	10.9	16.8	9.68	13	14.1	12.2	16.3	12	17.3	9.13	15.5	10.4	11.3
Kynurenine	8.36	7.62	5.56	5.09	4.81	7.39	5.03	5.57	6.38	3.55	6.56	5.51	5	8.35	6.5	10	6.59	9.98	5.87	7.68	6.02	4.49	4.66	6.27	6.67	9.43	5.38	10.6	6.69	6.79	5.65	5.32	6.32	4.73	5.43	5.4	5.9	6.12	6.53	8.53	4.54	5.69	4.39	6.59	5.05	3.86	5.03	5.63	5.98	10	7.4	8.45	4.76	9.28	7.01	5.97	4.33	4.08	5.64	5.41	6.05	13.1	6.31	11.2	5.54	9.99	7.61	4.71	4.59	5.36	4.77	5.23	6.09	8	6.07	8.49	5.2	8.84	7.39	6.13
Met-SO	0.958	1.4	0.989	0.471	1.4	1.05	0.608	1.17	0.935	2.32	1.31	1.01	0.706	0.933	1.36	1.62	1.26	0.98	0.576	0.984	0.899	1.51	1.68	0.771	2.62	0.939	1.32	1.14	1.23	2.3	1.22	0.949	1.22	1.42	1.08	1.63	1.03	1.11	1.61	0.73	1.12	0.537	0.673	0.495	0.855	1.24	0.772	0.875	1.02	0.863	1.32	2.23	0.635	1.17	1.38	0.791	0.928	0.969	0.728	0.929	0.738	1.01	1.36	1.39	1.22	1.09	1.13	1.19	0.566	1.17	0.833	0.96	0.58	0.953	1.35	1.63	1.01	1.45	0.994	1.2
Orn	40.4	45	44.4	26.5	29.6	43.7	32.7	51	52.5	41.1	39.4	35.7	43.7	41.1	30.3	47.8	37.8	44.8	35.3	46.4	67.7	51.8	39.1	60	72.6	40.4	50.6	46.9	60.7	53.6	82.1	38	78.9	51.2	41.1	44.4	66.1	42.7	70.1	33.9	40.3	34.7	31.9	35.5	37.9	48.6	30.7	46.7	47.9	41.5	41.5	50.8	40.4	38.6	50.3	29.6	53.4	55.9	40.1	86.9	60.7	67	52.6	56.5	35.3	42.9	57.5	32.8	41.8	56.1	42.2	72.8	41.5	67.7	48.1	72.8	58.5	52.1	69	46.4
PAG	16.5	10.1	21.8	26.3	17.7	23.1	3.48	14.1	11.5	15.4	25.6	20	21.1	27.5	10.8	15.8	22.2	65.9	10.9	23.6	24.6	17.1	17.4	18.2	37.2	56.1	11.6	29.4	21.5	20.1	10.7	20.2	18.2	13.4	23.4	27.9	16.1	27	11.2	17.3	18.3	17.9	13.5	23.5	33.1	16.4	15.6	11.6	22.6	15.1	14.5	15.2	8	32	25.8	24	39.2	18.2	31.6	10.3	16.5	17	12.9	22.1	27.4	30.2	26.3	49.2	18.1	15.7	22.2	14.1	22.5	8.79	29.9	40.5	20.8	22.8	22.4	22.8
ProBetaine	0.707	0.704	0.707	0.603	1.15	0.471	1.23	0.379	0.661	0.976	0.712	0.715	0.702	1.92	1.06	1.23	1.53	0.475	2.77	0.42	0.667	0.8	0.429	0.594	0.874	1.61	1.26	1.36	0.7	0.482	2.55	0.867	0.477	1.53	0.861	0.378	0.809	0.492	1.82	1.18	0.556	0.493	1.55	0.451	0.846	0.481	0.426	1.88	1.31	0.383	1.26	0.943	1.3	2.33	0.37	0.737	0.855	0.315	0.309	1.24	0.824	1.17	0.97	2.02	1.64	1.64	0.603	0.779	0.684	0.414	0.336	1.72	1.66	0.64	1.36	0.633	1.32	0.774	0.298	0.827
Sarcosine	2.82	1.85	3.07	4.77	1.82	2.45	2.2	2.14	5.27	6.08	2.35	1.47	3.75	2.1	2.74	2.93	1.8	4.54	2.67	3.18	2.11	1.84	1.99	6.03	3.12	3.58	2.94	2.46	1.19	4.26	1.9	2.61	1.28	3.35	6.61	8.39	3.05	3.29	1.24	7.8	2.52	2.51	2.32	4.97	3.49	3.52	2.18	2.96	2.67	3.85	5.24	2.02	2.43	2.82	3.82	2.18	1.57	3.83	2.15	4.2	2.05	2.14	3.53	2.93	1.63	1.14	2.84	3.29	6.79	4.13	4.06	3.79	0.476	1.53	3.41	2.23	2.05	2.83	3.01	2.98
SDMA	0.613	0.466	0.469	0.527	0.516	0.583	0.487	0.671	0.583	0.777	0.362	0.597	0.258	0.56	0.487	0.73	0.533	0.388	0.396	0.581	0.479	0.517	0.432	0.406	0.635	0.227	0.372	0.814	0.342	0.519	0.403	0.567	0.543	0.624	0.431	0.411	0.534	0.307	0.345	0.534	0.467	0.533	0.605	0.565	0.555	0.462	0.466	0.405	0.527	0.452	0.542	0.304	0.4	0.549	0.552	0.378	0.628	0.484	0.485	0.608	0.565	0.384	0.451	0.501	0.741	0.538	0.356	0.43	0.454	0.593	0.446	0.701	0.742	0.499	0.545	0.712	0.402	0.481	0.692	0.473
t4-OH-Pro	13.7	14.7	29.3	16	16.4	18.5	9.79	15.8	15.4	10.6	19.1	18.7	11	13.8	18	9.61	11	11.8	7.67	13.7	14.1	8.15	15.5	11.5	16.6	11.3	11.8	8.88	8.08	12.9	7.26	13.6	17.4	10.2	11.6	14.3	13.8	7.13	11	10.2	24.1	24	16.4	25.6	11.7	19.4	23.4	11.3	11.3	13.7	17.8	15.6	12.3	13.2	19.4	8.62	11.3	14.2	16.2	8.58	11.6	7.77	14.7	14.1	8.39	11.7	15.9	8.73	7.53	15.7	16	13.3	10.8	10.7	9.86	13	11.2	11.4	19.3	9.43
Taurine	55.8	34.8	44.1	58.4	47.6	44.2	42.4	40.5	51.4	84.5	40.5	51.7	52.6	32.7	36.3	40.2	57.1	63.7	51.2	42.4	90.9	45.9	38.7	48.1	63.5	52.5	63.9	72.1	67.9	45.1	53.6	66.5	69	67.2	44.4	50.8	77.4	71.5	52.5	68.8	67.8	43.8	58.8	51.2	27.8	65.6	40.5	53.2	75.6	58.4	46.4	30.1	58	42.1	48.7	44.2	71.3	58.2	43.1	79.4	65.7	60	50.5	60.8	53.4	48.2	60.6	84.8	64.1	95	61.3	80.5	84.8	54.9	56.2	76.1	82.4	68.9	77.6	63.8
TrpBetaine	0.006	0.003	0	0.006	0	0.002	0.002	0.006	0.003	0.001	0	0.004	0.005	0.009	0.001	0.005	0.005	0.002	0.008	0.003	0.003	0.002	0.005	0.004	0.01	0.002	0.004	0.006	0.003	0	0.005	0	0.005	0.012	0.004	0.007	0	0.004	0.006	0.002	0.006	0.003	0.006	0.008	0.004	0.003	0.005	0.002	0.006	0.012	0.005	0.002	0.002	0.003	0.004	0.005	0.001	0.003	0.004	0.003	0.002	0	0.005	0.003	0.004	0.005	0.002	0.003	0.005	0.003	0.002	0.008	0.003	0.003	0.01	0.042	0.005	0.004	0.005	0.003
Cortisol	0	0.022	0	0.033	0.012	0	0.025	0.041	0.038	0.02	0.021	0	0.037	0	0.028	0	0	0	0.015	0	0	0	0	0.017	0.037	0	0	0.014	0	0	0	0	0.02	0	0.006	0	0.016	0.026	0	0	0.035	0	0.04	0.038	0	0.045	0	0	0	0.028	0.036	0.013	0	0.025	0.036	0	0	0.019	0.045	0	0.012	0	0.029	0.034	0	0.034	0.029	0	0	0.044	0.058	0.041	0.135	0	0.034	0.022	0.016	0.035	0	0.04
Cortisone	0.038	0.03	0.029	0.036	0.03	0.025	0.031	0.022	0.027	0.04	0.028	0.035	0.04	0.036	0.023	0.028	0.028	0.026	0.036	0.028	0.036	0.026	0.034	0.021	0.027	0.018	0.029	0.042	0.04	0.034	0.037	0.035	0.035	0.032	0.035	0.02	0.021	0.024	0.028	0.036	0.043	0.031	0.034	0.024	0.031	0.035	0.028	0.025	0.025	0.041	0.021	0.03	0.019	0.043	0.031	0.02	0.027	0.021	0.032	0.028	0.036	0.02	0.037	0.037	0.024	0.033	0.033	0.026	0.032	0.028	0.029	0.031	0.04	0.034	0.025	0.044	0.036	0.024	0.034	0.034
Choline	3.87	5.47	3.83	3.78	4.18	2.43	5.4	4.11	4.68	3.93	2.92	2.97	4.24	2.66	5.66	2.74	3.06	4.24	6.54	3.03	4.45	2.96	2.94	2.19	4.57	2.59	3.07	3.01	7.36	2.61	3.66	3.61	4.89	6.19	3.34	4.21	4.61	3.05	3.27	2.81	8.64	2.78	2.75	6.19	2.48	3.8	2.05	3.67	3.29	4.23	3.02	3.34	5.84	2.79	2.62	4.52	3.73	3.75	2.45	5.24	2.78	4.12	2.83	1.83	2.67	2.66	2.58	2.84	3.07	5.8	2.03	4.99	4.63	3.8	2.27	1.85	4.48	2.59	4.04	4.74
TMAO	7.56	11.8	7.08	14.3	11.4	29	15	4.15	14.4	14.2	17.9	19.3	4.45	36.7	25.8	54.8	30.7	28.6	49	23.1	28.8	39.5	7.58	38.7	7.94	66.2	25.6	25.9	12.1	14.7	48.2	5.06	11.8	18.1	26.9	29.3	7.25	43.2	19.9	23.6	14.7	6.97	8.21	14.5	16.8	6.68	6.59	44.2	13.9	16.2	25	11.9	15.2	112	27.7	11	19.7	20.4	13.9	30.9	15.5	15.1	15.8	42.1	84.5	50	26.8	27.2	16.8	10.9	18.9	22	11.9	11.5	40.9	22.1	32.2	31.4	18	17.6
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
Ala
Arg
Asn
Asp
Cys
Gln
Glu
Gly
His
Ile
Leu
Lys
Met
Phe
Pro
Ser
Thr
Trp
Tyr
Val
beta-Ala
GABA
Histamine
Putrescine
Serotonin
Spermidine
Spermine
3-IAA
3-IPA
1-Met-His
3-Met-His
5-AVA
AABA
ADMA
alpha-AAA
Anserine
BABA
Betaine
c4-OH-Pro
Carnosine
Cit
Creatinine
Cystine
DOPA
HArg
HCys
Kynurenine
Met-SO
Orn
PAG
ProBetaine
Sarcosine
SDMA
t4-OH-Pro
Taurine
TrpBetaine
Cortisol
Cortisone
Choline
TMAO
METABOLITES_END
#END