#METABOLOMICS WORKBENCH sdedos_20250328_161113 DATATRACK_ID:5804 STUDY_ID:ST003843 ANALYSIS_ID:AN006317 PROJECT_ID:PR002401
VERSION                          	1
CREATED_ON                       	07-14-2025
#PROJECT
PR:PROJECT_TITLE                 	Multiomics Coalescent Analyses Delineates the Complex Anthropogenic Evolution of
PR:PROJECT_TITLE                 	Silkworm Races in Europe
PR:PROJECT_TYPE                  	Metabolomics and Lipidomics
PR:PROJECT_SUMMARY               	Employing phenomics, proteomics, metabolomics and lipidomics, this study
PR:PROJECT_SUMMARY               	identifies the introduction routes and anthropogenic evolution of European
PR:PROJECT_SUMMARY               	silkworm races, a clade of silkworm races with unresolved and obscure ancestry.
PR:PROJECT_SUMMARY               	Prompted by recent findings on the genomic variability that underlies the
PR:PROJECT_SUMMARY               	ancestry and cocoon shell colour of the silkworm, Bombyx mori, we carried out a
PR:PROJECT_SUMMARY               	large-scale analysis of historical and contemporary cocoon shells of this
PR:PROJECT_SUMMARY               	species. By taking our datasets through a series of dimensionality reduction and
PR:PROJECT_SUMMARY               	clustering algorithms, in conjunction with narratives from historical archives
PR:PROJECT_SUMMARY               	that attest to continuous familial interbreeding and constant influx of silkworm
PR:PROJECT_SUMMARY               	races in Europe, we identify three regional hotspots of diversification of these
PR:PROJECT_SUMMARY               	European silkworm races. Furthermore, and in agreement with recent genomic
PR:PROJECT_SUMMARY               	analyses which show an early evolutionary divergence of European silkworm races,
PR:PROJECT_SUMMARY               	we show that these races exhibit human-driven phenotypic innovations, during
PR:PROJECT_SUMMARY               	their domestication in Europe, caused by continuous familial breeding, selection
PR:PROJECT_SUMMARY               	for a limited number of traits and limited regional segregation. Our multiomics
PR:PROJECT_SUMMARY               	datasets provide a valuable foundation for advancing further exploitations of
PR:PROJECT_SUMMARY               	silkworm cocoon shells and show that the European silkworm races are lineages of
PR:PROJECT_SUMMARY               	races that evolved in Central Asia and the Middle East before arriving in Europe
PR:PROJECT_SUMMARY               	and then continuously interbred and improved through introduction of Chinese and
PR:PROJECT_SUMMARY               	Japanese silkworm races.
PR:INSTITUTE                     	National and Kapodistrian University of Athens
PR:DEPARTMENT                    	Biology
PR:LABORATORY                    	Zoology
PR:LAST_NAME                     	Dedos
PR:FIRST_NAME                    	Skarlatos
PR:ADDRESS                       	Panepistimioupoli Zografou, Athens, Attiki, 15784, Greece
PR:EMAIL                         	sdedos@biol.uoa.gr
PR:PHONE                         	0030-2107274705
PR:FUNDING_SOURCE                	This research was founded by the project: Advocating the Role of silk Art and
PR:FUNDING_SOURCE                	Cultural heritage at National and European scale - Aracne (European Union’s
PR:FUNDING_SOURCE                	Horizon Europe Research and Innovation Programme: Grant Agreement No 101095188).
PR:PROJECT_COMMENTS              	This is a study of 80 Bombyx mori cocoon shell samples analysed for their
PR:PROJECT_COMMENTS              	metabolites and lipids content
PR:PUBLICATIONS                  	Pending
PR:DOI                           	http://dx.doi.org/10.21228/M88V68
PR:CONTRIBUTORS                  	Panagiota Fragkoua, Ioannis Martakosb, Georgia Rounic, Demetrios Vasilakosa,
PR:CONTRIBUTORS                  	Evangelos Koutsoukosa, Alesssio Savianed, Silvia Cappellozzad, Marios G.
PR:CONTRIBUTORS                  	Kostakisb, Martina Samiotakic, Sotiris Kotsiantise, Mariana Barcenasf**,
PR:CONTRIBUTORS                  	Skarlatos G. Dedosa*
#STUDY
ST:STUDY_TITLE                   	Metabolomics Analysis of the Silkworm Cocoon Shell
ST:STUDY_TYPE                    	metabolomics
ST:STUDY_SUMMARY                 	In this study we conducted metabolomics analyses of historical and contemporary
ST:STUDY_SUMMARY                 	Bombyx mori cocoon shells to case-study the human-driven introduction and
ST:STUDY_SUMMARY                 	diversification of this species in Europe. We employed LC-MS/MS analyses
ST:STUDY_SUMMARY                 	protocols for 80 cocoon shell samples to identify that the cocoon shell of this
ST:STUDY_SUMMARY                 	species contains 141 metabolites in 80% of the samples. Our metabolomics
ST:STUDY_SUMMARY                 	datasets provide a valuable foundation for advancing further exploitations of
ST:STUDY_SUMMARY                 	silkworm cocoon shells in multiple scientific perspectives.
ST:INSTITUTE                     	National and Kapodistrian University of Athens
ST:DEPARTMENT                    	Biology
ST:LABORATORY                    	Zoology
ST:LAST_NAME                     	Dedos
ST:FIRST_NAME                    	Skarlatos
ST:ADDRESS                       	Panepistimioupoli Zografou, Athens, Attiki, 15784, Greece
ST:EMAIL                         	sdedos@biol.uoa.gr
ST:PHONE                         	0030-2107274705
ST:SUBMIT_DATE                   	2025-03-28
#SUBJECT
SU:SUBJECT_TYPE                  	Insect
SU:SUBJECT_SPECIES               	Bombyx mori
SU:TAXONOMY_ID                   	7091
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	QC_01	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_01
SUBJECT_SAMPLE_FACTORS           	-	QC_02	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_02
SUBJECT_SAMPLE_FACTORS           	-	QC_03	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_03
SUBJECT_SAMPLE_FACTORS           	-	QC_04	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_04
SUBJECT_SAMPLE_FACTORS           	-	QC_05	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_05
SUBJECT_SAMPLE_FACTORS           	-	QC_06	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_06
SUBJECT_SAMPLE_FACTORS           	-	QC_07	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_07
SUBJECT_SAMPLE_FACTORS           	-	QC_08	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_08
SUBJECT_SAMPLE_FACTORS           	-	QC_09	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_09
SUBJECT_SAMPLE_FACTORS           	-	QC_10	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_10
SUBJECT_SAMPLE_FACTORS           	-	QC_11	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_11
SUBJECT_SAMPLE_FACTORS           	-	QC_12	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_12
SUBJECT_SAMPLE_FACTORS           	-	QC_13	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_13
SUBJECT_SAMPLE_FACTORS           	-	QC_14	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_14
SUBJECT_SAMPLE_FACTORS           	-	QC_15	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_15
SUBJECT_SAMPLE_FACTORS           	-	QC_16	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_16
SUBJECT_SAMPLE_FACTORS           	-	QC_17	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_17
SUBJECT_SAMPLE_FACTORS           	-	QC_18	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_18
SUBJECT_SAMPLE_FACTORS           	-	QC_19	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_19
SUBJECT_SAMPLE_FACTORS           	-	QC_20	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	RAW_FILE_NAME(Raw_File_Names)=QC_20
SUBJECT_SAMPLE_FACTORS           	-	35_47_Erevan (Armenia)	Sample source:Cocoon shell | Region:Armenia | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=35_47_Erevan (Armenia)
SUBJECT_SAMPLE_FACTORS           	-	27_39_Suzhou	Sample source:Cocoon shell | Region:China | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=27_39_Suzhou
SUBJECT_SAMPLE_FACTORS           	-	29_41_Bombyx textor (China)	Sample source:Cocoon shell | Region:China | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=29_41_Bombyx textor (China)
SUBJECT_SAMPLE_FACTORS           	-	38_50_Shanghai 1881	Sample source:Cocoon shell | Region:China | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=38_50_Shanghai 1881
SUBJECT_SAMPLE_FACTORS           	-	51_65_p31	Sample source:Cocoon shell | Region:Europe | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=51_65_p31
SUBJECT_SAMPLE_FACTORS           	-	67_116_Bagdad	Sample source:Cocoon shell | Region:Europe | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=67_116_Bagdad
SUBJECT_SAMPLE_FACTORS           	-	71_122_Kinto (Golden pink)	Sample source:Cocoon shell | Region:Europe | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=71_122_Kinto (Golden pink)
SUBJECT_SAMPLE_FACTORS           	-	72_123_Kokuga (Black moth)	Sample source:Cocoon shell | Region:Europe | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=72_123_Kokuga (Black moth)
SUBJECT_SAMPLE_FACTORS           	-	79_138_Yu?haku	Sample source:Cocoon shell | Region:Europe | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=79_138_Yu?haku
SUBJECT_SAMPLE_FACTORS           	-	80_139_European-No16-old	Sample source:Cocoon shell | Region:Europe | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=80_139_European-No16-old
SUBJECT_SAMPLE_FACTORS           	-	5_7_Bagdad	Sample source:Cocoon shell | Region:Europe | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=5_7_Bagdad
SUBJECT_SAMPLE_FACTORS           	-	69_119_Blanc des Cevennes	Sample source:Cocoon shell | Region:France | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=69_119_Blanc des Cevennes
SUBJECT_SAMPLE_FACTORS           	-	70_121_Gubbio	Sample source:Cocoon shell | Region:France | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=70_121_Gubbio
SUBJECT_SAMPLE_FACTORS           	-	76_131_St Julien? (Sanjurian)	Sample source:Cocoon shell | Region:France | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=76_131_St Julien? (Sanjurian)
SUBJECT_SAMPLE_FACTORS           	-	10_15_French White	Sample source:Cocoon shell | Region:France | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=10_15_French White
SUBJECT_SAMPLE_FACTORS           	-	13_18_Vari Yellow	Sample source:Cocoon shell | Region:France | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=13_18_Vari Yellow
SUBJECT_SAMPLE_FACTORS           	-	3_5_Alpine Yellow	Sample source:Cocoon shell | Region:France | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=3_5_Alpine Yellow
SUBJECT_SAMPLE_FACTORS           	-	43_55_Corsica France	Sample source:Cocoon shell | Region:France | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=43_55_Corsica France
SUBJECT_SAMPLE_FACTORS           	-	4_6_Corsican Yellow	Sample source:Cocoon shell | Region:France | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=4_6_Corsican Yellow
SUBJECT_SAMPLE_FACTORS           	-	48_61_Var France	Sample source:Cocoon shell | Region:France | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=48_61_Var France
SUBJECT_SAMPLE_FACTORS           	-	55_80_France	Sample source:Cocoon shell | Region:France | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=55_80_France
SUBJECT_SAMPLE_FACTORS           	-	7_11_Sevenien White	Sample source:Cocoon shell | Region:France | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=7_11_Sevenien White
SUBJECT_SAMPLE_FACTORS           	-	11_16_Tetrparkiani ie Georgian	Sample source:Cocoon shell | Region:Georgia | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=11_16_Tetrparkiani ie Georgian
SUBJECT_SAMPLE_FACTORS           	-	1_3_Kakhuri Green	Sample source:Cocoon shell | Region:Georgia | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=1_3_Kakhuri Green
SUBJECT_SAMPLE_FACTORS           	-	36_48_Tiflis (Georgia)	Sample source:Cocoon shell | Region:Georgia | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=36_48_Tiflis (Georgia)
SUBJECT_SAMPLE_FACTORS           	-	34_46_Schwatzwald (Germany)	Sample source:Cocoon shell | Region:Germany | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=34_46_Schwatzwald (Germany)
SUBJECT_SAMPLE_FACTORS           	-	30_42_Makedonia	Sample source:Cocoon shell | Region:Greece | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=30_42_Makedonia
SUBJECT_SAMPLE_FACTORS           	-	64_109_Komotini	Sample source:Cocoon shell | Region:Greece | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=64_109_Komotini
SUBJECT_SAMPLE_FACTORS           	-	77_132_Szegsard	Sample source:Cocoon shell | Region:Hungary | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=77_132_Szegsard
SUBJECT_SAMPLE_FACTORS           	-	28_40_Bombyx croesi (India)	Sample source:Cocoon shell | Region:India | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=28_40_Bombyx croesi (India)
SUBJECT_SAMPLE_FACTORS           	-	50_63_Dehra Dun India	Sample source:Cocoon shell | Region:India | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=50_63_Dehra Dun India
SUBJECT_SAMPLE_FACTORS           	-	54_78_Nistri (India)	Sample source:Cocoon shell | Region:India | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=54_78_Nistri (India)
SUBJECT_SAMPLE_FACTORS           	-	66_112_Kashmere	Sample source:Cocoon shell | Region:India | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=66_112_Kashmere
SUBJECT_SAMPLE_FACTORS           	-	32_44_Iran	Sample source:Cocoon shell | Region:Iran | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=32_44_Iran
SUBJECT_SAMPLE_FACTORS           	-	37_49_Iran (yellow)	Sample source:Cocoon shell | Region:Iran | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=37_49_Iran (yellow)
SUBJECT_SAMPLE_FACTORS           	-	49_62_Bagdad Iraq	Sample source:Cocoon shell | Region:Iraq | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=49_62_Bagdad Iraq
SUBJECT_SAMPLE_FACTORS           	-	58_95_VM2A	Sample source:Cocoon shell | Region:Italy | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=58_95_VM2A
SUBJECT_SAMPLE_FACTORS           	-	59_98_PVN	Sample source:Cocoon shell | Region:Italy | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=59_98_PVN
SUBJECT_SAMPLE_FACTORS           	-	60_99_TREOTTO ROSA	Sample source:Cocoon shell | Region:Italy | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=60_99_TREOTTO ROSA
SUBJECT_SAMPLE_FACTORS           	-	61_101_HAN HAN	Sample source:Cocoon shell | Region:Italy | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=61_101_HAN HAN
SUBJECT_SAMPLE_FACTORS           	-	62_103_AP	Sample source:Cocoon shell | Region:Italy | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=62_103_AP
SUBJECT_SAMPLE_FACTORS           	-	63_104_ASCOLI	Sample source:Cocoon shell | Region:Italy | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=63_104_ASCOLI
SUBJECT_SAMPLE_FACTORS           	-	68_118_Bione	Sample source:Cocoon shell | Region:Italy | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=68_118_Bione
SUBJECT_SAMPLE_FACTORS           	-	73_124_Maiella-Zebra	Sample source:Cocoon shell | Region:Italy | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=73_124_Maiella-Zebra
SUBJECT_SAMPLE_FACTORS           	-	74_128_Rosa	Sample source:Cocoon shell | Region:Italy | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=74_128_Rosa
SUBJECT_SAMPLE_FACTORS           	-	78_136_y35(Gran Sasso)	Sample source:Cocoon shell | Region:Italy | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=78_136_y35(Gran Sasso)
SUBJECT_SAMPLE_FACTORS           	-	12_17_Italian Green	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=12_17_Italian Green
SUBJECT_SAMPLE_FACTORS           	-	14_20_Italian Yellow	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=14_20_Italian Yellow
SUBJECT_SAMPLE_FACTORS           	-	15_22_Gran-Sasso	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=15_22_Gran-Sasso
SUBJECT_SAMPLE_FACTORS           	-	16_23_Sample No 1	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=16_23_Sample No 1
SUBJECT_SAMPLE_FACTORS           	-	17_24_Sample No 2	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=17_24_Sample No 2
SUBJECT_SAMPLE_FACTORS           	-	18_26_Sample No 4	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=18_26_Sample No 4
SUBJECT_SAMPLE_FACTORS           	-	19_27_Sample No 5	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=19_27_Sample No 5
SUBJECT_SAMPLE_FACTORS           	-	20_29_Sample No 7	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=20_29_Sample No 7
SUBJECT_SAMPLE_FACTORS           	-	21_31_Sample No 9	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=21_31_Sample No 9
SUBJECT_SAMPLE_FACTORS           	-	22_33_Sample No 11	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=22_33_Sample No 11
SUBJECT_SAMPLE_FACTORS           	-	23_35_Sample No 13	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=23_35_Sample No 13
SUBJECT_SAMPLE_FACTORS           	-	24_36_Sample No 14	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=24_36_Sample No 14
SUBJECT_SAMPLE_FACTORS           	-	31_43_Cosenza (Italy)	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=31_43_Cosenza (Italy)
SUBJECT_SAMPLE_FACTORS           	-	45_57_Bione Italy	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=45_57_Bione Italy
SUBJECT_SAMPLE_FACTORS           	-	65_110_Bianco Italia	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=65_110_Bianco Italia
SUBJECT_SAMPLE_FACTORS           	-	8_12_Italian White	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=8_12_Italian White
SUBJECT_SAMPLE_FACTORS           	-	52_69_c44	Sample source:Cocoon shell | Region:Japan | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=52_69_c44
SUBJECT_SAMPLE_FACTORS           	-	53_70_c42	Sample source:Cocoon shell | Region:Japan | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=53_70_c42
SUBJECT_SAMPLE_FACTORS           	-	56_81_Shirahine (Shirohime) (Japan)	Sample source:Cocoon shell | Region:Japan | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=56_81_Shirahine (Shirohime) (Japan)
SUBJECT_SAMPLE_FACTORS           	-	47_60_Korea	Sample source:Cocoon shell | Region:Korea | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=47_60_Korea
SUBJECT_SAMPLE_FACTORS           	-	40_52_Galati Romania	Sample source:Cocoon shell | Region:Russia | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=40_52_Galati Romania
SUBJECT_SAMPLE_FACTORS           	-	44_56_Ryazan Russia	Sample source:Cocoon shell | Region:Russia | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=44_56_Ryazan Russia
SUBJECT_SAMPLE_FACTORS           	-	75_130_Spain	Sample source:Cocoon shell | Region:Spain | Sample_type:New	RAW_FILE_NAME(Raw_File_Names)=75_130_Spain
SUBJECT_SAMPLE_FACTORS           	-	25_37_Espaniola 1910	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=25_37_Espaniola 1910
SUBJECT_SAMPLE_FACTORS           	-	26_38_Pacheco del Pais 1910	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=26_38_Pacheco del Pais 1910
SUBJECT_SAMPLE_FACTORS           	-	41_53_Murcua Spain	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=41_53_Murcua Spain
SUBJECT_SAMPLE_FACTORS           	-	57_82_Almeria (Spain)	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=57_82_Almeria (Spain)
SUBJECT_SAMPLE_FACTORS           	-	6_8_Iberian Peninsula Yellow	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=6_8_Iberian Peninsula Yellow
SUBJECT_SAMPLE_FACTORS           	-	9_14_Iberian Peninsula Yellow	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=9_14_Iberian Peninsula Yellow
SUBJECT_SAMPLE_FACTORS           	-	42_54_Switzerland	Sample source:Cocoon shell | Region:Switzerland | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=42_54_Switzerland
SUBJECT_SAMPLE_FACTORS           	-	46_59_Thailand	Sample source:Cocoon shell | Region:Thailand | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=46_59_Thailand
SUBJECT_SAMPLE_FACTORS           	-	2_4_Bursa?s White	Sample source:Cocoon shell | Region:Turkey | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=2_4_Bursa?s White
SUBJECT_SAMPLE_FACTORS           	-	39_51_Bursa Turkey	Sample source:Cocoon shell | Region:Turkey | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=39_51_Bursa Turkey
SUBJECT_SAMPLE_FACTORS           	-	33_45_Uzbekistan	Sample source:Cocoon shell | Region:Uzbekistan | Sample_type:Old	RAW_FILE_NAME(Raw_File_Names)=33_45_Uzbekistan
#COLLECTION
CO:COLLECTION_SUMMARY            	A set of 80 of the 148 cocoon shell samples were selected for metabolomics and
CO:COLLECTION_SUMMARY            	lipidomics analysis. The set of the 80 selected samples is shown in
CO:COLLECTION_SUMMARY            	Supplementary File s1. A pilot study was carried out with 4 additional samples
CO:COLLECTION_SUMMARY            	to validate every step of the sample analysis and assess its feasibility. The
CO:COLLECTION_SUMMARY            	results of the pilot study are not included in the analysis of the 80 samples. A
CO:COLLECTION_SUMMARY            	careful selection of the 80 cocoon shell samples was carried out aiming to avoid
CO:COLLECTION_SUMMARY            	as much as possible ambiguously-labelled B. mori mutants (see Supplementary File
CO:COLLECTION_SUMMARY            	s1) as well as samples with known parental-sibling relationships (i.e. samples
CO:COLLECTION_SUMMARY            	141-147, see Supplementary File s1) that would skew the analysis results.
CO:COLLECTION_SUMMARY            	Purposefully, samples of the same name or similar geographic location were used
CO:COLLECTION_SUMMARY            	in the analysis to assess the effect of the place of origin and sample freshness
CO:COLLECTION_SUMMARY            	on the obtained results.
CO:COLLECTION_PROTOCOL_FILENAME  	Materials_and_Methods_Metabolomics.pdf
CO:SAMPLE_TYPE                   	Cocoon shells
CO:COLLECTION_METHOD             	Museum and geneticl resources centers
CO:COLLECTION_LOCATION           	Europe
CO:COLLECTION_FREQUENCY          	Not applicable
CO:COLLECTION_DURATION           	12 Months
CO:VOLUMEORAMOUNT_COLLECTED      	80 samples
CO:STORAGE_CONDITIONS            	Room temperature
CO:COLLECTION_VIALS              	80
CO:STORAGE_VIALS                 	80
CO:COLLECTION_TUBE_TEMP          	RT
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment to the old or contemporary cocoon shell samples
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For biphasic extraction of lipids and polar metabolites, cocoons were cut into
SP:SAMPLEPREP_SUMMARY            	small pieces and placed in 5 mL centrifuge tubes. Three (3) mL of MeOH
SP:SAMPLEPREP_SUMMARY            	(containing internal standards) were initially added to the cocoon samples.
SP:SAMPLEPREP_SUMMARY            	After vortexing and ultrasonic bath extraction for 10 min, 1.8 mL of supernatant
SP:SAMPLEPREP_SUMMARY            	were collected and transferred to clean 15 mL centrifuge tubes. Subsequently,
SP:SAMPLEPREP_SUMMARY            	4.5 mL of MTBE were added and the monophasic mixture was vortexed for 60 s and
SP:SAMPLEPREP_SUMMARY            	incubated at -20 °C for 20 min. For phase separation, 1.2 mL water were added,
SP:SAMPLEPREP_SUMMARY            	followed by another vortexing and incubation step (see previous conditions). The
SP:SAMPLEPREP_SUMMARY            	biphasic solvent system was then centrifuged for 15 min at 5000 rpm and 4 °C
SP:SAMPLEPREP_SUMMARY            	with a 5810R centrifuge (Eppendorf, Germany). For lipidomics analysis, 4 mL of
SP:SAMPLEPREP_SUMMARY            	the upper organic phase were transferred, dried under a stream of nitrogen, and
SP:SAMPLEPREP_SUMMARY            	reconstituted in 100 µL IPA:MeOH (50:50, v/v). For metabolomics analysis, 2.4
SP:SAMPLEPREP_SUMMARY            	mL of the lower aqueous phase were transferred, dried under a stream of
SP:SAMPLEPREP_SUMMARY            	nitrogen, and reconstituted in 75 µL 80% MeOH (v/v). The final samples were
SP:SAMPLEPREP_SUMMARY            	vortexed for 10 min, centrifuged (see previous conditions) and the supernatants
SP:SAMPLEPREP_SUMMARY            	were transferred to analytical glass vials for LC-MS/MS analysis.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Materials_and_Methods_Metabolomics.pdf
SP:PROCESSING_STORAGE_CONDITIONS 	Described in summary
SP:EXTRACTION_METHOD             	Described in summary
SP:SAMPLE_RESUSPENSION           	Described in summary
SP:SAMPLE_DERIVATIZATION         	Described in summary
SP:SAMPLE_SPIKING                	Described in summary
SP:SUBCELLULAR_LOCATION          	Not applicable
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	See Materials_and_Methods_Metabolomics.pdf
CH:METHODS_FILENAME              	Materials_and_Methods_Metabolomics.pdf
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters Atlantis Premier BEH Z-HILIC (100 x 2.1mm, 1.7um)
CH:COLUMN_TEMPERATURE            	40°C
CH:FLOW_GRADIENT                 	20 min total run time including re-equilibration was applied (time [min]/%B):
CH:FLOW_GRADIENT                 	0/95, 2/95, 14.5/60, 16/60, 16.5/95, 20/95
CH:FLOW_RATE                     	0.25 mL/min
CH:SOLVENT_A                     	90% water/10% acetonitrile
CH:SOLVENT_B                     	90% acetonitrile/10% water
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:LABORATORY_NAME               	Metabolomics Core Facility, EMBL Heidelberg
AN:ANALYSIS_TYPE                 	MS
AN:ANALYSIS_PROTOCOL_FILE        	Materials_and_Methods_Metabolomics.pdf
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Exploris 240
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	Metabolomic analysis was done at Metabolomics Core Facility, EMBL Heidelberg,
MS:MS_COMMENTS                   	Meyerhofstraße 1, 69117 Heidelberg, Germany. Analytes were recorded via a full
MS:MS_COMMENTS                   	scan with a mass resolving power of 120K over a mass range from 60 – 900 m/z
MS:MS_COMMENTS                   	(scan time: 100 ms, RF lens: 70%). To obtain MS/MS fragment spectra,
MS:MS_COMMENTS                   	data-dependant acquisition was carried out (resolving power: 15,000; scan time:
MS:MS_COMMENTS                   	22 ms; stepped collision energies [%]: 30/50/70; cycle time: 900 ms). Ion source
MS:MS_COMMENTS                   	parameters were set to the following values: spray voltage: -3500 V (negative
MS:MS_COMMENTS                   	mode), sheath gas: 30 psi, arbitrary units, auxiliary gas: 5 psi, arbitrary
MS:MS_COMMENTS                   	units,, sweep gas: 0 psi, arbitrary units, ion transfer tube temperature:
MS:MS_COMMENTS                   	350°C, vaporizer temperature: 300°C.
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Signal Intensity
MS_METABOLITE_DATA_START
Samples	QC_01	QC_02	QC_03	QC_04	QC_05	QC_06	QC_07	QC_08	QC_09	QC_10	QC_11	QC_12	QC_13	QC_14	QC_15	QC_16	QC_17	QC_18	QC_19	QC_20	35_47_Erevan (Armenia)	27_39_Suzhou	29_41_Bombyx textor (China)	38_50_Shanghai 1881	51_65_p31	67_116_Bagdad	71_122_Kinto (Golden pink)	72_123_Kokuga (Black moth)	79_138_Yu?haku	80_139_European-No16-old	5_7_Bagdad	69_119_Blanc des Cevennes	70_121_Gubbio	76_131_St Julien? (Sanjurian)	10_15_French White	13_18_Vari Yellow	3_5_Alpine Yellow	43_55_Corsica France	4_6_Corsican Yellow	48_61_Var France	55_80_France	7_11_Sevenien White	11_16_Tetrparkiani ie Georgian	1_3_Kakhuri Green	36_48_Tiflis (Georgia)	34_46_Schwatzwald (Germany)	30_42_Makedonia	64_109_Komotini	77_132_Szegsard	28_40_Bombyx croesi (India)	50_63_Dehra Dun India	54_78_Nistri (India)	66_112_Kashmere	32_44_Iran	37_49_Iran (yellow)	49_62_Bagdad Iraq	58_95_VM2A	59_98_PVN	60_99_TREOTTO ROSA	61_101_HAN HAN	62_103_AP	63_104_ASCOLI	68_118_Bione	73_124_Maiella-Zebra	74_128_Rosa	78_136_y35(Gran Sasso)	12_17_Italian Green	14_20_Italian Yellow	15_22_Gran-Sasso	16_23_Sample No 1	17_24_Sample No 2	18_26_Sample No 4	19_27_Sample No 5	20_29_Sample No 7	21_31_Sample No 9	22_33_Sample No 11	23_35_Sample No 13	24_36_Sample No 14	31_43_Cosenza (Italy)	45_57_Bione Italy	65_110_Bianco Italia	8_12_Italian White	52_69_c44	53_70_c42	56_81_Shirahine (Shirohime) (Japan)	47_60_Korea	40_52_Galati Romania	44_56_Ryazan Russia	75_130_Spain	25_37_Espaniola 1910	26_38_Pacheco del Pais 1910	41_53_Murcua Spain	57_82_Almeria (Spain)	6_8_Iberian Peninsula Yellow	9_14_Iberian Peninsula Yellow	42_54_Switzerland	46_59_Thailand	2_4_Bursa?s White	39_51_Bursa Turkey	33_45_Uzbekistan
Factors	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Blank | Region:Internal Standard | Sample_type:Quality Control	Sample source:Cocoon shell | Region:Armenia | Sample_type:Old	Sample source:Cocoon shell | Region:China | Sample_type:Old	Sample source:Cocoon shell | Region:China | Sample_type:Old	Sample source:Cocoon shell | Region:China | Sample_type:Old	Sample source:Cocoon shell | Region:Europe | Sample_type:New	Sample source:Cocoon shell | Region:Europe | Sample_type:New	Sample source:Cocoon shell | Region:Europe | Sample_type:New	Sample source:Cocoon shell | Region:Europe | Sample_type:New	Sample source:Cocoon shell | Region:Europe | Sample_type:New	Sample source:Cocoon shell | Region:Europe | Sample_type:New	Sample source:Cocoon shell | Region:Europe | Sample_type:Old	Sample source:Cocoon shell | Region:France | Sample_type:New	Sample source:Cocoon shell | Region:France | Sample_type:New	Sample source:Cocoon shell | Region:France | Sample_type:New	Sample source:Cocoon shell | Region:France | Sample_type:Old	Sample source:Cocoon shell | Region:France | Sample_type:Old	Sample source:Cocoon shell | Region:France | Sample_type:Old	Sample source:Cocoon shell | Region:France | Sample_type:Old	Sample source:Cocoon shell | Region:France | Sample_type:Old	Sample source:Cocoon shell | Region:France | Sample_type:Old	Sample source:Cocoon shell | Region:France | Sample_type:Old	Sample source:Cocoon shell | Region:France | Sample_type:Old	Sample source:Cocoon shell | Region:Georgia | Sample_type:New	Sample source:Cocoon shell | Region:Georgia | Sample_type:New	Sample source:Cocoon shell | Region:Georgia | Sample_type:Old	Sample source:Cocoon shell | Region:Germany | Sample_type:Old	Sample source:Cocoon shell | Region:Greece | Sample_type:Old	Sample source:Cocoon shell | Region:Greece | Sample_type:Old	Sample source:Cocoon shell | Region:Hungary | Sample_type:New	Sample source:Cocoon shell | Region:India | Sample_type:Old	Sample source:Cocoon shell | Region:India | Sample_type:Old	Sample source:Cocoon shell | Region:India | Sample_type:Old	Sample source:Cocoon shell | Region:India | Sample_type:Old	Sample source:Cocoon shell | Region:Iran | Sample_type:Old	Sample source:Cocoon shell | Region:Iran | Sample_type:Old	Sample source:Cocoon shell | Region:Iraq | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:New	Sample source:Cocoon shell | Region:Italy | Sample_type:New	Sample source:Cocoon shell | Region:Italy | Sample_type:New	Sample source:Cocoon shell | Region:Italy | Sample_type:New	Sample source:Cocoon shell | Region:Italy | Sample_type:New	Sample source:Cocoon shell | Region:Italy | Sample_type:New	Sample source:Cocoon shell | Region:Italy | Sample_type:New	Sample source:Cocoon shell | Region:Italy | Sample_type:New	Sample source:Cocoon shell | Region:Italy | Sample_type:New	Sample source:Cocoon shell | Region:Italy | Sample_type:New	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Italy | Sample_type:Old	Sample source:Cocoon shell | Region:Japan | Sample_type:New	Sample source:Cocoon shell | Region:Japan | Sample_type:New	Sample source:Cocoon shell | Region:Japan | Sample_type:Old	Sample source:Cocoon shell | Region:Korea | Sample_type:Old	Sample source:Cocoon shell | Region:Russia | Sample_type:Old	Sample source:Cocoon shell | Region:Russia | Sample_type:Old	Sample source:Cocoon shell | Region:Spain | Sample_type:New	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	Sample source:Cocoon shell | Region:Spain | Sample_type:Old	Sample source:Cocoon shell | Region:Switzerland | Sample_type:Old	Sample source:Cocoon shell | Region:Thailand | Sample_type:Old	Sample source:Cocoon shell | Region:Turkey | Sample_type:Old	Sample source:Cocoon shell | Region:Turkey | Sample_type:Old	Sample source:Cocoon shell | Region:Uzbekistan | Sample_type:Old	
1-Methylguanine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0004	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
3-Hydroxypyridine*	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
3-Methylhistidine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
4-Hydroxybenzoic acid	0.0006	0.0007	0.0006	0.0005	0.0005	0.0004	0.0006	0.0004	0.0004	0.0004	0.0006	0.0004	0.0005	0.0005	0.0004	0.0004	0.0005	0.0004	0.0004	0.0005	0.0005	0.0011	0.0003	0.0004	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0003	0.0000	0.0001	0.0004	0.0003	0.0006	0.0002	0.0001	0.0000	0.0007	0.0003	0.0003	0.0004	0.0000	0.0010	0.0008	0.0011	0.0001	0.0005	0.0006	0.0007	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0002	0.0003	0.0002	0.0007	0.0018	0.0013	0.0006	0.0012	0.0004	0.0011	0.0005	0.0016	0.0003	0.0003	0.0012	0.0002	0.0000	0.0000	0.0007	0.0003	0.0004	0.0003	0.0000	0.0011	0.0014	0.0002	0.0002	0.0002	0.0001	0.0003	0.0004	0.0002	0.0005	0.0006
4-Hydroxyproline*	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0002	0.0001	0.0001	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0001	0.0000	0.0000	0.0000	0.0002	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001
Adenine	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0008	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0004	0.0002	0.0001	0.0001	0.0002	0.0001	0.0001	0.0003	0.0001	0.0003	0.0001	0.0001	0.0002	0.0002	0.0000	0.0002	0.0000	0.0006	0.0001	0.0001	0.0001	0.0003	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0002	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0004	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001
Adenosine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0002	0.0002	0.0004	0.0000	0.0000	0.0000	0.0004	0.0000	0.0001	0.0002	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0002	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0002
Adenosine monophosphate	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Alanine*	0.0005	0.0004	0.0005	0.0005	0.0005	0.0006	0.0005	0.0005	0.0005	0.0006	0.0006	0.0005	0.0006	0.0005	0.0004	0.0004	0.0006	0.0006	0.0007	0.0005	0.0006	0.0003	0.0002	0.0004	0.0004	0.0001	0.0005	0.0003	0.0010	0.0020	0.0003	0.0002	0.0003	0.0004	0.0002	0.0001	0.0006	0.0007	0.0033	0.0009	0.0003	0.0001	0.0003	0.0005	0.0002	0.0032	0.0003	0.0001	0.0002	0.0001	0.0001	0.0002	0.0001	0.0002	0.0010	0.0002	0.0001	0.0001	0.0001	0.0007	0.0002	0.0001	0.0004	0.0002	0.0001	0.0007	0.0003	0.0001	0.0001	0.0002	0.0002	0.0001	0.0001	0.0016	0.0005	0.0004	0.0006	0.0001	0.0001	0.0067	0.0003	0.0002	0.0003	0.0023	0.0007	0.0004	0.0003	0.0001	0.0002	0.0001	0.0001	0.0002	0.0004	0.0002	0.0003	0.0006	0.0006	0.0002	0.0005	0.0015
Allantoin	0.0004	0.0005	0.0004	0.0004	0.0004	0.0005	0.0004	0.0005	0.0004	0.0005	0.0004	0.0005	0.0005	0.0005	0.0004	0.0005	0.0005	0.0005	0.0003	0.0005	0.0004	0.0004	0.0004	0.0051	0.0014	0.0002	0.0002	0.0003	0.0001	0.0007	0.0002	0.0003	0.0006	0.0002	0.0004	0.0003	0.0002	0.0008	0.0009	0.0004	0.0008	0.0005	0.0004	0.0003	0.0006	0.0003	0.0004	0.0001	0.0003	0.0006	0.0003	0.0013	0.0003	0.0003	0.0005	0.0009	0.0003	0.0004	0.0002	0.0004	0.0001	0.0003	0.0002	0.0002	0.0003	0.0001	0.0005	0.0005	0.0005	0.0004	0.0007	0.0002	0.0004	0.0003	0.0007	0.0003	0.0001	0.0002	0.0002	0.0004	0.0006	0.0005	0.0002	0.0002	0.0011	0.0004	0.0005	0.0005	0.0002	0.0007	0.0005	0.0008	0.0004	0.0032	0.0004	0.0002	0.0007	0.0004	0.0004	0.0015
Aminoadipic acid	0.0003	0.0002	0.0002	0.0002	0.0003	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0003	0.0002	0.0002	0.0002	0.0003	0.0002	0.0000	0.0000	0.0000	0.0000	0.0002	0.0019	0.0002	0.0007	0.0003	0.0004	0.0000	0.0003	0.0015	0.0002	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0008	0.0018	0.0000	0.0000	0.0000	0.0000	0.0016	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0005	0.0003	0.0001	0.0004	0.0015	0.0000	0.0001	0.0024	0.0013	0.0007	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0003	0.0000	0.0000	0.0000	0.0000	0.0004	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Asparagine	0.0019	0.0012	0.0018	0.0019	0.0019	0.0020	0.0020	0.0019	0.0020	0.0019	0.0017	0.0019	0.0018	0.0019	0.0026	0.0019	0.0019	0.0018	0.0021	0.0019	0.0000	0.0000	0.0000	0.0003	0.0036	0.0008	0.0007	0.0029	0.0002	0.0059	0.0007	0.0010	0.0033	0.0006	0.0002	0.0004	0.0004	0.0002	0.0045	0.0003	0.0006	0.0006	0.0044	0.0061	0.0001	0.0001	0.0001	0.0001	0.0010	0.0000	0.0000	0.0004	0.0002	0.0002	0.0007	0.0000	0.0029	0.0038	0.0010	0.0107	0.0084	0.0028	0.0005	0.0041	0.0018	0.0005	0.0004	0.0003	0.0001	0.0001	0.0003	0.0001	0.0000	0.0003	0.0001	0.0002	0.0000	0.0002	0.0003	0.0001	0.0004	0.0006	0.0003	0.0063	0.0024	0.0002	0.0004	0.0000	0.0019	0.0000	0.0001	0.0000	0.0002	0.0002	0.0010	0.0001	0.0001	0.0012	0.0002	0.0007
Aspartic acid	0.0004	0.0003	0.0004	0.0004	0.0005	0.0005	0.0005	0.0004	0.0005	0.0005	0.0004	0.0004	0.0004	0.0003	0.0005	0.0004	0.0004	0.0004	0.0006	0.0004	0.0004	0.0006	0.0002	0.0001	0.0002	0.0001	0.0000	0.0000	0.0001	0.0001	0.0002	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0015	0.0014	0.0010	0.0004	0.0001	0.0001	0.0002	0.0002	0.0003	0.0003	0.0005	0.0001	0.0002	0.0001	0.0002	0.0003	0.0002	0.0002	0.0001	0.0058	0.0004	0.0001	0.0061	0.0025	0.0002	0.0000	0.0019	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0002	0.0001	0.0001	0.0002	0.0001	0.0004	0.0008	0.0001	0.0001	0.0000	0.0001	0.0019	0.0002	0.0002	0.0002	0.0001	0.0000	0.0001	0.0003	0.0008	0.0001	0.0001	0.0001	0.0002	0.0002	0.0004	0.0004
Azelaic acid	0.0018	0.0005	0.0003	0.0003	0.0007	0.0004	0.0005	0.0005	0.0006	0.0006	0.0006	0.0003	0.0007	0.0005	0.0009	0.0002	0.0005	0.0007	0.0008	0.0003	0.0068	0.0019	0.0002	0.0005	0.0002	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0003	0.0006	0.0000	0.0001	0.0002	0.0002	0.0003	0.0002	0.0001	0.0001	0.0006	0.0001	0.0003	0.0001	0.0000	0.0008	0.0158	0.0010	0.0002	0.0005	0.0003	0.0021	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0008	0.0003	0.0002	0.0009	0.0004	0.0003	0.0000	0.0048	0.0004	0.0009	0.0001	0.0014	0.0009	0.0001	0.0002	0.0004	0.0000	0.0000	0.0001	0.0001	0.0006	0.0003	0.0000	0.0004	0.0007	0.0009	0.0001	0.0000	0.0001	0.0005	0.0005	0.0017	0.0004	0.0005
Beta-Alanine	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0003	0.0006	0.0001	0.0002	0.0007	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0005	0.0003	0.0010	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0007	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0003	0.0001	0.0000	0.0001	0.0001	0.0002	0.0000	0.0001	0.0001	0.0001	0.0000	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0009	0.0001	0.0001	0.0015	0.0001	0.0001	0.0002	0.0004	0.0002	0.0003	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0002	0.0001	0.0002	0.0003	0.0001	0.0002	0.0003
Citraconic acid	0.0002	0.0003	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0001	0.0002	0.0003	0.0002	0.0002	0.0002	0.0001	0.0002	0.0002	0.0002	0.0001	0.0002	0.0002	0.0002	0.0003	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0003	0.0004	0.0000	0.0000	0.0003	0.0001	0.0002	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0002	0.0005	0.0004	0.0001	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0002	0.0003	0.0002	0.0000	0.0001	0.0002	0.0000	0.0002	0.0002	0.0002	0.0000	0.0001	0.0001	0.0002	0.0003	0.0002	0.0001	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0003	0.0002	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0004	0.0000	0.0002
Citrulline	0.0003	0.0002	0.0002	0.0002	0.0003	0.0002	0.0003	0.0003	0.0003	0.0003	0.0002	0.0002	0.0002	0.0002	0.0003	0.0002	0.0002	0.0002	0.0003	0.0002	0.0005	0.0002	0.0000	0.0000	0.0002	0.0002	0.0002	0.0002	0.0001	0.0001	0.0003	0.0004	0.0025	0.0002	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0008	0.0047	0.0001	0.0000	0.0000	0.0000	0.0003	0.0000	0.0008	0.0001	0.0001	0.0001	0.0000	0.0001	0.0000	0.0002	0.0006	0.0005	0.0004	0.0005	0.0001	0.0001	0.0001	0.0003	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0002	0.0001	0.0001	0.0000	0.0002	0.0001	0.0000	0.0000	0.0001	0.0000	0.0002	0.0002	0.0002	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000
Crotonic acid*	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0002	0.0001	0.0002	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0001	0.0002	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0001	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000
Cyclic AMP	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0018	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Cysteic acid	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0004	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0000	0.0003	0.0000	0.0000	0.0002	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0000	0.0001	0.0000	0.0001	0.0000	0.0002	0.0001	0.0001	0.0001	0.0000	0.0004	0.0001	0.0001	0.0000	0.0001	0.0001	0.0000	0.0001	0.0004	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0001	0.0000	0.0002	0.0001	0.0000	0.0002	0.0003	0.0000
Cysteine-S-sulfate	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Cystine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Cytidine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Cytosine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Deoxyuridine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0004	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0000	0.0001	0.0002	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000
Fructose*	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0000	0.0001	0.0001	0.0004	0.0002	0.0001	0.0001	0.0001	0.0001	0.0005	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0002	0.0004	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0000	0.0001	0.0000	0.0001	0.0000	0.0003	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0000	0.0001	0.0001	0.0000	0.0000	0.0002	0.0001	0.0001	0.0001
Fumaric acid	0.0097	0.0070	0.0086	0.0086	0.0089	0.0091	0.0094	0.0092	0.0087	0.0092	0.0074	0.0065	0.0070	0.0073	0.0111	0.0059	0.0075	0.0071	0.0113	0.0068	0.0010	0.0004	0.0005	0.0023	0.0087	0.0135	0.0107	0.0055	0.0064	0.0139	0.0072	0.0073	0.0096	0.0069	0.0049	0.0023	0.0077	0.0073	0.0062	0.0038	0.0040	0.0067	0.0147	0.0143	0.0029	0.0068	0.0030	0.0042	0.0109	0.0002	0.0006	0.0013	0.0018	0.0064	0.0020	0.0035	0.0091	0.0138	0.0131	0.0197	0.0104	0.0139	0.0117	0.0145	0.0109	0.0157	0.0021	0.0027	0.0071	0.0047	0.0033	0.0040	0.0011	0.0079	0.0064	0.0030	0.0085	0.0037	0.0062	0.0028	0.0039	0.0067	0.0068	0.0071	0.0023	0.0028	0.0029	0.0012	0.0080	0.0008	0.0007	0.0010	0.0028	0.0040	0.0030	0.0020	0.0011	0.0076	0.0031	0.0008
Gluconic acid	0.0006	0.0003	0.0004	0.0004	0.0006	0.0005	0.0005	0.0005	0.0005	0.0006	0.0006	0.0004	0.0005	0.0004	0.0005	0.0004	0.0004	0.0005	0.0006	0.0003	0.0003	0.0063	0.0017	0.0001	0.0004	0.0003	0.0000	0.0001	0.0001	0.0001	0.0003	0.0003	0.0005	0.0001	0.0002	0.0000	0.0000	0.0007	0.0003	0.0003	0.0001	0.0001	0.0007	0.0015	0.0001	0.0002	0.0006	0.0001	0.0002	0.0023	0.0001	0.0005	0.0029	0.0002	0.0001	0.0002	0.0004	0.0004	0.0002	0.0002	0.0005	0.0013	0.0002	0.0001	0.0003	0.0002	0.0001	0.0001	0.0001	0.0001	0.0004	0.0002	0.0003	0.0004	0.0001	0.0001	0.0001	0.0002	0.0004	0.0001	0.0000	0.0001	0.0001	0.0004	0.0002	0.0001	0.0001	0.0001	0.0001	0.0003	0.0007	0.0001	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001
Glutamine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0003	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Glycerol 3-phosphate	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0000	0.0002	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0005	0.0000	0.0000	0.0000	0.0001	0.0003	0.0000	0.0001	0.0000	0.0001	0.0001	0.0003	0.0000	0.0000	0.0002	0.0001	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0003	0.0004	0.0001	0.0001	0.0004	0.0001	0.0004	0.0001	0.0002	0.0004	0.0003	0.0002	0.0000	0.0001	0.0002	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0003	0.0002	0.0000	0.0000	0.0002	0.0001	0.0001
Glycine*	0.0003	0.0002	0.0002	0.0002	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0004	0.0003	0.0003	0.0003	0.0003	0.0003	0.0001	0.0002	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0045	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0003	0.0001	0.0028	0.0001	0.0001	0.0001	0.0002	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0004	0.0002	0.0002	0.0001	0.0001	0.0001	0.0003	0.0003	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0009	0.0000	0.0000	0.0003	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0020	0.0001	0.0001	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0002	0.0001	0.0005	0.0001	0.0001	0.0001	0.0002	0.0002
Glycolic acid*	0.0011	0.0011	0.0006	0.0004	0.0007	0.0007	0.0008	0.0008	0.0002	0.0006	0.0011	0.0006	0.0009	0.0007	0.0004	0.0003	0.0008	0.0008	0.0007	0.0005	0.0000	0.0001	0.0001	0.0008	0.0003	0.0000	0.0002	0.0003	0.0002	0.0005	0.0001	0.0001	0.0002	0.0001	0.0049	0.0073	0.0003	0.0005	0.0022	0.0002	0.0002	0.0014	0.0011	0.0001	0.0007	0.0002	0.0001	0.0000	0.0002	0.0000	0.0041	0.0010	0.0015	0.0006	0.0008	0.0003	0.0000	0.0003	0.0007	0.0006	0.0001	0.0000	0.0001	0.0001	0.0003	0.0001	0.0031	0.0087	0.0016	0.0016	0.0006	0.0008	0.0002	0.0013	0.0049	0.0040	0.0010	0.0008	0.0003	0.0001	0.0106	0.0008	0.0000	0.0001	0.0004	0.0008	0.0006	0.0003	0.0003	0.0042	0.0004	0.0002	0.0004	0.0001	0.0048	0.0008	0.0004	0.0009	0.0001	0.0004
Guanine*	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0003	0.0007	0.0006	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0002	0.0001	0.0003	0.0001	0.0005	0.0004	0.0001	0.0000	0.0000	0.0001	0.0004	0.0001	0.0002	0.0000	0.0005	0.0003	0.0001	0.0002	0.0001	0.0001	0.0005	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0004	0.0004	0.0003	0.0001	0.0000	0.0001	0.0000	0.0001	0.0003	0.0002	0.0001	0.0001	0.0001	0.0006	0.0000	0.0001	0.0000	0.0000	0.0001	0.0002	0.0003	0.0002	0.0000	0.0003	0.0001	0.0009	0.0004	0.0002	0.0003	0.0001	0.0007	0.0001	0.0005	0.0001
Guanosine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0003	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Guanosine monophosphate	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Hippuric acid*	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0004	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0003	0.0001	0.0002	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0018	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000
Histamine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Histidine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0003	0.0000	0.0011	0.0000	0.0000	0.0003	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0004	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Hypoxanthine	0.0051	0.0067	0.0052	0.0051	0.0050	0.0050	0.0051	0.0050	0.0050	0.0050	0.0052	0.0052	0.0053	0.0053	0.0057	0.0053	0.0054	0.0054	0.0048	0.0052	0.0016	0.0067	0.0019	0.0015	0.0007	0.0008	0.0001	0.0002	0.0002	0.0001	0.0060	0.0001	0.0004	0.0002	0.0207	0.0074	0.0188	0.0333	0.0058	0.0211	0.0009	0.0158	0.0011	0.0001	0.0013	0.0123	0.0012	0.0015	0.0001	0.0015	0.0008	0.0007	0.0020	0.0072	0.0010	0.0119	0.0018	0.0013	0.0002	0.0001	0.0001	0.0003	0.0006	0.0002	0.0001	0.0001	0.0093	0.0155	0.0186	0.0026	0.0005	0.0007	0.0003	0.0006	0.0140	0.0076	0.0032	0.0035	0.0017	0.0086	0.0023	0.0090	0.0010	0.0002	0.0016	0.0041	0.0020	0.0030	0.0001	0.0116	0.0123	0.0016	0.0185	0.0110	0.0118	0.0008	0.0023	0.0061	0.0014	0.0008
IS: 13C15N - Alanine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000
IS: 13C15N - Cystine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000
IS: 13C15N - Glycine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000
IS: 13C15N - Isoleucine	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0002	0.0003	0.0002	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0004	0.0004	0.0007	0.0004	0.0002	0.0001	0.0004	0.0005	0.0002	0.0001	0.0003	0.0004	0.0003	0.0005	0.0005	0.0001	0.0002	0.0002	0.0003	0.0005	0.0003	0.0003	0.0002	0.0004	0.0003	0.0003	0.0001	0.0003	0.0001	0.0004	0.0005	0.0005	0.0002	0.0005	0.0003	0.0003	0.0004	0.0005	0.0004	0.0002	0.0002	0.0006	0.0004	0.0002	0.0004	0.0003	0.0004	0.0002	0.0004	0.0002	0.0002	0.0000	0.0002	0.0003	0.0004	0.0001	0.0003	0.0002	0.0005	0.0006	0.0003	0.0006	0.0004	0.0005	0.0012	0.0009	0.0005	0.0003	0.0003	0.0001	0.0004	0.0001	0.0002	0.0003	0.0005	0.0009	0.0003	0.0005	0.0003
IS: 13C15N - Leucine	0.0002	0.0004	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0002	0.0003	0.0002	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0003	0.0002	0.0003	0.0003	0.0007	0.0005	0.0002	0.0001	0.0004	0.0005	0.0002	0.0001	0.0003	0.0003	0.0003	0.0005	0.0005	0.0001	0.0002	0.0002	0.0003	0.0005	0.0003	0.0003	0.0002	0.0003	0.0003	0.0002	0.0001	0.0003	0.0001	0.0004	0.0005	0.0005	0.0002	0.0005	0.0003	0.0003	0.0003	0.0005	0.0004	0.0002	0.0001	0.0006	0.0004	0.0002	0.0005	0.0003	0.0004	0.0002	0.0004	0.0002	0.0002	0.0000	0.0002	0.0003	0.0004	0.0002	0.0003	0.0002	0.0004	0.0005	0.0004	0.0006	0.0004	0.0005	0.0012	0.0009	0.0005	0.0003	0.0003	0.0001	0.0004	0.0001	0.0003	0.0003	0.0005	0.0008	0.0003	0.0005	0.0003
IS: 13C15N - Methionine	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0003	0.0002	0.0001	0.0000	0.0002	0.0002	0.0001	0.0000	0.0001	0.0001	0.0001	0.0002	0.0002	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0002	0.0002	0.0001	0.0002	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0002	0.0001	0.0001	0.0003	0.0001	0.0002	0.0005	0.0003	0.0002	0.0001	0.0001	0.0000	0.0002	0.0000	0.0000	0.0001	0.0002	0.0004	0.0001	0.0002	0.0001
IS: 13C15N - Serine	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0000	0.0001	0.0002	0.0001	0.0000	0.0002	0.0000	0.0001	0.0001	0.0002	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0002	0.0002	0.0001	0.0001	0.0000	0.0003	0.0002	0.0002	0.0001	0.0001	0.0001	0.0000	0.0001	0.0000	0.0000	0.0001	0.0001	0.0002	0.0001	0.0002	0.0001
Isoleucine*	0.0020	0.0028	0.0025	0.0021	0.0024	0.0022	0.0023	0.0021	0.0023	0.0019	0.0024	0.0020	0.0024	0.0024	0.0021	0.0022	0.0024	0.0022	0.0020	0.0025	0.0003	0.0006	0.0010	0.0011	0.0048	0.0025	0.0016	0.0021	0.0030	0.0051	0.0009	0.0022	0.0112	0.0040	0.0009	0.0011	0.0011	0.0004	0.0031	0.0009	0.0015	0.0009	0.0052	0.0047	0.0012	0.0009	0.0019	0.0003	0.0038	0.0004	0.0005	0.0040	0.0008	0.0018	0.0013	0.0007	0.0043	0.0135	0.0026	0.0078	0.0028	0.0051	0.0076	0.0046	0.0101	0.0019	0.0005	0.0004	0.0014	0.0012	0.0014	0.0013	0.0007	0.0034	0.0007	0.0011	0.0015	0.0008	0.0014	0.0007	0.0009	0.0013	0.0149	0.0027	0.0032	0.0024	0.0016	0.0005	0.0019	0.0002	0.0006	0.0005	0.0010	0.0024	0.0008	0.0016	0.0017	0.0007	0.0011	0.0025
Kynurenic acid	0.0005	0.0006	0.0005	0.0003	0.0004	0.0003	0.0004	0.0003	0.0003	0.0003	0.0004	0.0003	0.0004	0.0004	0.0003	0.0003	0.0004	0.0003	0.0004	0.0004	0.0000	0.0002	0.0009	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0006	0.0000	0.0000	0.0000	0.0020	0.0010	0.0019	0.0019	0.0001	0.0007	0.0001	0.0015	0.0001	0.0000	0.0001	0.0004	0.0003	0.0001	0.0000	0.0001	0.0001	0.0003	0.0002	0.0009	0.0001	0.0004	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0020	0.0018	0.0022	0.0002	0.0000	0.0001	0.0001	0.0000	0.0004	0.0001	0.0001	0.0000	0.0002	0.0005	0.0000	0.0011	0.0000	0.0000	0.0001	0.0001	0.0001	0.0002	0.0000	0.0004	0.0002	0.0001	0.0008	0.0021	0.0012	0.0000	0.0001	0.0014	0.0001	0.0001
Kynurenine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Leucine*	0.0031	0.0048	0.0041	0.0036	0.0039	0.0036	0.0039	0.0036	0.0038	0.0031	0.0042	0.0034	0.0042	0.0040	0.0036	0.0039	0.0042	0.0035	0.0036	0.0044	0.0002	0.0004	0.0011	0.0014	0.0100	0.0053	0.0024	0.0031	0.0046	0.0090	0.0010	0.0037	0.0182	0.0077	0.0012	0.0015	0.0024	0.0003	0.0051	0.0011	0.0021	0.0012	0.0104	0.0096	0.0015	0.0011	0.0024	0.0005	0.0075	0.0003	0.0004	0.0053	0.0011	0.0022	0.0018	0.0008	0.0080	0.0206	0.0050	0.0160	0.0064	0.0068	0.0117	0.0094	0.0182	0.0031	0.0007	0.0005	0.0021	0.0018	0.0020	0.0015	0.0007	0.0039	0.0008	0.0016	0.0017	0.0012	0.0018	0.0008	0.0010	0.0025	0.0266	0.0049	0.0055	0.0029	0.0019	0.0007	0.0029	0.0002	0.0005	0.0005	0.0016	0.0047	0.0012	0.0025	0.0015	0.0009	0.0017	0.0044
Lysine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Maleic acid	0.0012	0.0016	0.0013	0.0009	0.0010	0.0010	0.0013	0.0011	0.0003	0.0009	0.0014	0.0008	0.0012	0.0012	0.0009	0.0010	0.0013	0.0011	0.0009	0.0012	0.0004	0.0005	0.0003	0.0004	0.0001	0.0009	0.0001	0.0001	0.0001	0.0001	0.0000	0.0003	0.0004	0.0001	0.0004	0.0014	0.0000	0.0002	0.0014	0.0002	0.0014	0.0004	0.0007	0.0002	0.0018	0.0007	0.0007	0.0025	0.0003	0.0001	0.0004	0.0003	0.0023	0.0018	0.0003	0.0004	0.0018	0.0014	0.0002	0.0013	0.0001	0.0006	0.0005	0.0003	0.0001	0.0002	0.0005	0.0006	0.0004	0.0010	0.0011	0.0021	0.0000	0.0020	0.0018	0.0012	0.0000	0.0013	0.0005	0.0003	0.0022	0.0014	0.0002	0.0004	0.0006	0.0002	0.0007	0.0003	0.0001	0.0003	0.0002	0.0001	0.0002	0.0000	0.0003	0.0001	0.0001	0.0035	0.0004	0.0004
Malic acid	0.0108	0.0062	0.0092	0.0083	0.0101	0.0092	0.0100	0.0091	0.0097	0.0097	0.0077	0.0067	0.0073	0.0069	0.0110	0.0053	0.0073	0.0074	0.0119	0.0069	0.0107	0.0066	0.0018	0.0040	0.0065	0.0127	0.0000	0.0048	0.0081	0.0112	0.0184	0.0051	0.0079	0.0000	0.0070	0.0058	0.0000	0.0387	0.0000	0.0258	0.0051	0.0066	0.0075	0.0094	0.0115	0.0131	0.0085	0.0040	0.0112	0.0140	0.0101	0.0145	0.0088	0.0080	0.0087	0.0105	0.0051	0.0053	0.0091	0.0027	0.0037	0.0092	0.0090	0.0073	0.0087	0.0105	0.0057	0.0067	0.0099	0.0051	0.0053	0.0061	0.0000	0.0118	0.0090	0.0099	0.0001	0.0084	0.0154	0.0173	0.0063	0.0050	0.0059	0.0051	0.0215	0.0029	0.0104	0.0206	0.0126	0.0103	0.0078	0.0143	0.0132	0.0079	0.0049	0.0062	0.0131	0.0066	0.0103	0.0077
Methionine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
myo-Inositol	0.0010	0.0007	0.0012	0.0011	0.0010	0.0011	0.0011	0.0011	0.0011	0.0011	0.0009	0.0010	0.0009	0.0010	0.0014	0.0011	0.0010	0.0010	0.0013	0.0011	0.0006	0.0002	0.0003	0.0009	0.0016	0.0016	0.0006	0.0008	0.0007	0.0039	0.0014	0.0010	0.0014	0.0024	0.0024	0.0002	0.0012	0.0020	0.0018	0.0032	0.0004	0.0007	0.0005	0.0018	0.0014	0.0004	0.0004	0.0002	0.0014	0.0004	0.0004	0.0005	0.0016	0.0021	0.0011	0.0007	0.0002	0.0017	0.0006	0.0004	0.0008	0.0018	0.0009	0.0020	0.0015	0.0014	0.0011	0.0007	0.0012	0.0016	0.0018	0.0029	0.0007	0.0021	0.0021	0.0016	0.0014	0.0018	0.0010	0.0014	0.0003	0.0011	0.0007	0.0010	0.0019	0.0014	0.0017	0.0005	0.0014	0.0009	0.0008	0.0011	0.0010	0.0017	0.0014	0.0004	0.0003	0.0008	0.0004	0.0007
N2_N2-Dimethylguanosine*	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0002	0.0002	0.0001	0.0001	0.0004	0.0003	0.0003	0.0003	0.0003	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0003	0.0011	0.0001	0.0000	0.0002	0.0001	0.0006	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0004	0.0001	0.0005	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001
N-Acetylalanine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0002	0.0001	0.0010	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001
N-Acetyl-aspartic acid	0.0004	0.0002	0.0002	0.0002	0.0004	0.0002	0.0003	0.0003	0.0003	0.0004	0.0003	0.0002	0.0003	0.0002	0.0003	0.0001	0.0002	0.0002	0.0004	0.0002	0.0002	0.0011	0.0001	0.0000	0.0001	0.0002	0.0000	0.0000	0.0000	0.0000	0.0014	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0002	0.0001	0.0001	0.0000	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0006	0.0000	0.0001	0.0001	0.0008	0.0004	0.0001	0.0001	0.0001	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0002	0.0002	0.0000	0.0000	0.0001	0.0000	0.0001	0.0002	0.0000	0.0003	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0002	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0001	0.0000	0.0002
N-Acetylornithine	0.0007	0.0004	0.0005	0.0005	0.0007	0.0006	0.0006	0.0006	0.0006	0.0006	0.0006	0.0006	0.0007	0.0006	0.0004	0.0003	0.0006	0.0006	0.0007	0.0006	0.0001	0.0000	0.0001	0.0000	0.0012	0.0015	0.0000	0.0002	0.0001	0.0009	0.0003	0.0006	0.0034	0.0004	0.0001	0.0000	0.0003	0.0000	0.0007	0.0001	0.0001	0.0001	0.0013	0.0017	0.0001	0.0001	0.0001	0.0001	0.0017	0.0000	0.0000	0.0000	0.0001	0.0003	0.0001	0.0001	0.0010	0.0005	0.0004	0.0014	0.0032	0.0014	0.0005	0.0005	0.0002	0.0004	0.0001	0.0000	0.0002	0.0000	0.0001	0.0001	0.0000	0.0002	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0003	0.0001	0.0006	0.0001	0.0001	0.0000	0.0000	0.0015	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0002	0.0002	0.0000	0.0005
N-Acetylserine	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0010	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0003	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Nicotinic acid	0.0005	0.0007	0.0006	0.0004	0.0005	0.0004	0.0005	0.0004	0.0004	0.0004	0.0005	0.0004	0.0005	0.0005	0.0005	0.0005	0.0005	0.0004	0.0004	0.0005	0.0005	0.0082	0.0008	0.0003	0.0003	0.0002	0.0001	0.0002	0.0003	0.0003	0.0014	0.0002	0.0008	0.0003	0.0005	0.0004	0.0000	0.0000	0.0007	0.0001	0.0003	0.0002	0.0006	0.0007	0.0003	0.0002	0.0002	0.0002	0.0004	0.0019	0.0028	0.0005	0.0006	0.0004	0.0004	0.0003	0.0004	0.0004	0.0001	0.0001	0.0001	0.0002	0.0006	0.0001	0.0002	0.0005	0.0005	0.0001	0.0002	0.0002	0.0003	0.0002	0.0000	0.0002	0.0001	0.0001	0.0002	0.0001	0.0003	0.0001	0.0002	0.0002	0.0004	0.0001	0.0005	0.0002	0.0002	0.0002	0.0001	0.0005	0.0004	0.0003	0.0002	0.0000	0.0001	0.0001	0.0001	0.0008	0.0002	0.0004
O-Acetylserine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0001	0.0000	0.0000	0.0001	0.0002	0.0003	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0002	0.0000	0.0000	0.0000
Ornithine	0.0001	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0005	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0009	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Pantothenic acid	0.0002	0.0002	0.0002	0.0001	0.0002	0.0001	0.0002	0.0001	0.0001	0.0001	0.0002	0.0001	0.0002	0.0002	0.0001	0.0001	0.0002	0.0001	0.0001	0.0002	0.0000	0.0007	0.0001	0.0000	0.0002	0.0002	0.0002	0.0001	0.0001	0.0005	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0002	0.0000	0.0001	0.0000	0.0001	0.0013	0.0002	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0002	0.0003	0.0001	0.0001	0.0002	0.0004	0.0000	0.0001	0.0003	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0004	0.0006	0.0000	0.0000	0.0000	0.0000	0.0011	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
P-Coumaric acid*	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Phenylalanine	0.0002	0.0003	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0001	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0001	0.0002	0.0001	0.0002	0.0004	0.0001	0.0001	0.0003	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0007	0.0002	0.0001	0.0000	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0004	0.0004	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0000	0.0069	0.0000	0.0002	0.0001	0.0002	0.0001	0.0029	0.0001	0.0002	0.0001	0.0002	0.0002	0.0001	0.0003	0.0002	0.0001	0.0001	0.0002	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0003	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0005	0.0001	0.0001	0.0001
Pimelic acid	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0012	0.0004	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0006	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0001	0.0000	0.0001	0.0001	0.0000	0.0001	0.0015	0.0002	0.0000	0.0002	0.0001	0.0004	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0000	0.0001	0.0002	0.0001	0.0002	0.0001	0.0003	0.0003	0.0003	0.0001	0.0004	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0003	0.0003	0.0001	0.0000	0.0001	0.0000	0.0000	0.0001	0.0003	0.0001	0.0001
Pipecolic acid*	0.0019	0.0024	0.0018	0.0016	0.0016	0.0015	0.0019	0.0017	0.0016	0.0014	0.0019	0.0016	0.0019	0.0019	0.0019	0.0017	0.0018	0.0016	0.0018	0.0019	0.0003	0.0002	0.0005	0.0007	0.0007	0.0010	0.0015	0.0007	0.0012	0.0013	0.0015	0.0007	0.0012	0.0008	0.0003	0.0012	0.0007	0.0005	0.0059	0.0013	0.0015	0.0035	0.0014	0.0015	0.0038	0.0017	0.0098	0.0001	0.0009	0.0001	0.0028	0.0016	0.0003	0.0081	0.0027	0.0140	0.0006	0.0004	0.0016	0.0020	0.0009	0.0019	0.0003	0.0005	0.0017	0.0005	0.0009	0.0004	0.0028	0.0016	0.0004	0.0022	0.0002	0.0010	0.0004	0.0005	0.0007	0.0014	0.0016	0.0024	0.0009	0.0048	0.0002	0.0005	0.0047	0.0023	0.0038	0.0004	0.0012	0.0013	0.0007	0.0029	0.0030	0.0027	0.0013	0.0012	0.0036	0.0055	0.0018	0.0021
Proline	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0009	0.0000	0.0000	0.0003	0.0000	0.0000	0.0000	0.0000	0.0000	0.0004	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0002	0.0000	0.0000	0.0001	0.0000	0.0001	0.0002	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0003	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0003	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0001	0.0000	0.0002
Pyroglutamic acid	0.0025	0.0019	0.0020	0.0016	0.0018	0.0017	0.0017	0.0016	0.0016	0.0016	0.0017	0.0015	0.0018	0.0017	0.0012	0.0010	0.0016	0.0017	0.0014	0.0014	0.0017	0.0034	0.0006	0.0005	0.0002	0.0002	0.0001	0.0001	0.0001	0.0001	0.0047	0.0001	0.0001	0.0001	0.0012	0.0004	0.0003	0.0007	0.0254	0.0007	0.0017	0.0015	0.0001	0.0002	0.0003	0.0024	0.0034	0.0096	0.0001	0.0003	0.0005	0.0024	0.0011	0.0011	0.0004	0.0012	0.0023	0.0002	0.0001	0.0005	0.0003	0.0001	0.0002	0.0001	0.0001	0.0001	0.0013	0.0003	0.0008	0.0003	0.0002	0.0004	0.0003	0.0010	0.0008	0.0002	0.0009	0.0005	0.0005	0.0022	0.0002	0.0009	0.0002	0.0001	0.0011	0.0004	0.0003	0.0006	0.0001	0.0003	0.0015	0.0005	0.0002	0.0024	0.0003	0.0002	0.0006	0.0047	0.0003	0.0087
Pyruvic acid	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0003	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Quercetin-3_4^-O-di-beta-glucopyranoside*	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Riboflavin	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Serine	0.0014	0.0010	0.0015	0.0017	0.0015	0.0017	0.0016	0.0017	0.0017	0.0016	0.0014	0.0016	0.0013	0.0015	0.0021	0.0016	0.0016	0.0015	0.0018	0.0018	0.0003	0.0010	0.0007	0.0003	0.0005	0.0002	0.0001	0.0006	0.0021	0.0095	0.0003	0.0002	0.0002	0.0002	0.0006	0.0001	0.0004	0.0007	0.0082	0.0004	0.0003	0.0005	0.0003	0.0005	0.0002	0.0004	0.0005	0.0002	0.0002	0.0001	0.0003	0.0005	0.0001	0.0004	0.0024	0.0003	0.0003	0.0002	0.0001	0.0015	0.0006	0.0006	0.0004	0.0002	0.0003	0.0011	0.0013	0.0002	0.0002	0.0001	0.0002	0.0002	0.0000	0.0025	0.0001	0.0001	0.0000	0.0001	0.0007	0.0005	0.0007	0.0004	0.0002	0.0126	0.0010	0.0002	0.0003	0.0001	0.0002	0.0001	0.0002	0.0002	0.0005	0.0001	0.0022	0.0006	0.0004	0.0004	0.0019	0.0031
Succinic acid	0.0080	0.0047	0.0066	0.0069	0.0072	0.0071	0.0073	0.0073	0.0074	0.0073	0.0055	0.0058	0.0059	0.0058	0.0087	0.0053	0.0054	0.0055	0.0092	0.0054	0.0103	0.0040	0.0040	0.0049	0.0033	0.0065	0.0036	0.0022	0.0028	0.0038	0.0135	0.0018	0.0013	0.0010	0.0076	0.0040	0.0001	0.0094	0.0033	0.0083	0.0065	0.0086	0.0023	0.0043	0.0063	0.0120	0.0087	0.0074	0.0042	0.0054	0.0052	0.0101	0.0037	0.0085	0.0082	0.0076	0.0048	0.0038	0.0108	0.0099	0.0027	0.0042	0.0023	0.0014	0.0041	0.0046	0.0056	0.0030	0.0144	0.0052	0.0057	0.0046	0.0052	0.0070	0.0141	0.0056	0.0111	0.0070	0.0210	0.0053	0.0047	0.0091	0.0063	0.0070	0.0085	0.0064	0.0068	0.0068	0.0045	0.0054	0.0068	0.0053	0.0044	0.0099	0.0037	0.0050	0.0153	0.0154	0.0044	0.0134
Taurine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000
Threonine	0.0005	0.0005	0.0007	0.0006	0.0007	0.0006	0.0007	0.0007	0.0008	0.0006	0.0006	0.0006	0.0006	0.0006	0.0004	0.0006	0.0006	0.0006	0.0008	0.0006	0.0000	0.0001	0.0001	0.0001	0.0004	0.0001	0.0004	0.0003	0.0008	0.0014	0.0003	0.0002	0.0038	0.0003	0.0003	0.0001	0.0016	0.0001	0.0078	0.0004	0.0001	0.0001	0.0004	0.0044	0.0001	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0003	0.0001	0.0000	0.0006	0.0003	0.0001	0.0001	0.0001	0.0020	0.0030	0.0002	0.0002	0.0001	0.0009	0.0028	0.0004	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0005	0.0000	0.0001	0.0001	0.0000	0.0001	0.0001	0.0005	0.0004	0.0002	0.0013	0.0001	0.0003	0.0001	0.0000	0.0004	0.0000	0.0001	0.0009	0.0006	0.0009	0.0002	0.0009	0.0002	0.0002	0.0005	0.0013
Thymine	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0005	0.0004	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0004	0.0000	0.0000	0.0003	0.0000	0.0000	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Tryptophan	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0003	0.0000	0.0001	0.0001	0.0000	0.0000	0.0001	0.0001	0.0000	0.0001	0.0002	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0002	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0001	0.0000	0.0000	0.0020	0.0001	0.0004	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0001	0.0000	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Tyrosine	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0003	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0002	0.0006	0.0002	0.0003	0.0002	0.0002	0.0003	0.0001	0.0002	0.0002	0.0002	0.0002	0.0002	0.0003	0.0003	0.0002	0.0002	0.0001	0.0001	0.0001	0.0001	0.0004	0.0003	0.0012	0.0003	0.0003	0.0001	0.0001	0.0000	0.0002	0.0001	0.0002	0.0016	0.0001	0.0002	0.0003	0.0014	0.0001	0.0014	0.0003	0.0005	0.0002	0.0002	0.0002	0.0001	0.0002	0.0002	0.0005	0.0001	0.0002	0.0001	0.0001	0.0001	0.0000	0.0002	0.0001	0.0001	0.0000	0.0001	0.0000	0.0001	0.0001	0.0002	0.0005	0.0002	0.0002	0.0002	0.0001	0.0001	0.0001	0.0001	0.0002	0.0030	0.0001	0.0001	0.0002	0.0001	0.0004	0.0002	0.0001	0.0002
Uracil	0.0007	0.0010	0.0008	0.0008	0.0007	0.0007	0.0008	0.0007	0.0008	0.0007	0.0008	0.0008	0.0008	0.0008	0.0008	0.0008	0.0008	0.0008	0.0007	0.0008	0.0011	0.0231	0.0015	0.0006	0.0002	0.0002	0.0001	0.0002	0.0002	0.0001	0.0006	0.0001	0.0007	0.0001	0.0004	0.0002	0.0001	0.0004	0.0002	0.0002	0.0004	0.0003	0.0001	0.0000	0.0002	0.0004	0.0005	0.0003	0.0001	0.0058	0.0004	0.0007	0.0015	0.0005	0.0003	0.0017	0.0001	0.0007	0.0001	0.0002	0.0001	0.0002	0.0003	0.0001	0.0001	0.0003	0.0003	0.0002	0.0002	0.0001	0.0002	0.0002	0.0010	0.0003	0.0002	0.0001	0.0003	0.0002	0.0008	0.0003	0.0001	0.0002	0.0003	0.0001	0.0002	0.0001	0.0002	0.0002	0.0001	0.0004	0.0004	0.0007	0.0003	0.0008	0.0002	0.0002	0.0002	0.0013	0.0002	0.0003
Uric acid	0.0019	0.0014	0.0017	0.0016	0.0017	0.0017	0.0017	0.0017	0.0015	0.0015	0.0016	0.0015	0.0015	0.0015	0.0009	0.0014	0.0016	0.0015	0.0019	0.0015	0.0007	0.0004	0.0022	0.0086	0.0009	0.0006	0.0010	0.0004	0.0010	0.0014	0.0015	0.0010	0.0008	0.0005	0.0055	0.0045	0.0086	0.0061	0.0019	0.0048	0.0027	0.0065	0.0017	0.0002	0.0008	0.0047	0.0006	0.0005	0.0004	0.0009	0.0008	0.0053	0.0014	0.0011	0.0007	0.0036	0.0012	0.0012	0.0004	0.0003	0.0007	0.0009	0.0009	0.0007	0.0008	0.0009	0.0068	0.0076	0.0087	0.0009	0.0008	0.0005	0.0007	0.0006	0.0021	0.0011	0.0025	0.0006	0.0004	0.0034	0.0021	0.0029	0.0004	0.0005	0.0010	0.0015	0.0011	0.0009	0.0006	0.0016	0.0012	0.0027	0.0021	0.0089	0.0068	0.0007	0.0022	0.0035	0.0007	0.0010
Uridine	0.0005	0.0007	0.0005	0.0006	0.0005	0.0005	0.0005	0.0005	0.0006	0.0005	0.0006	0.0006	0.0005	0.0005	0.0006	0.0006	0.0006	0.0006	0.0006	0.0006	0.0005	0.0040	0.0038	0.0006	0.0004	0.0004	0.0002	0.0002	0.0005	0.0003	0.0009	0.0008	0.0003	0.0005	0.0002	0.0004	0.0003	0.0002	0.0001	0.0002	0.0003	0.0002	0.0005	0.0002	0.0004	0.0003	0.0004	0.0009	0.0004	0.0016	0.0005	0.0005	0.0133	0.0004	0.0007	0.0012	0.0002	0.0003	0.0002	0.0007	0.0004	0.0006	0.0003	0.0003	0.0004	0.0003	0.0006	0.0004	0.0002	0.0001	0.0004	0.0004	0.0004	0.0002	0.0005	0.0003	0.0005	0.0002	0.0005	0.0002	0.0001	0.0002	0.0004	0.0002	0.0007	0.0003	0.0003	0.0006	0.0003	0.0003	0.0005	0.0020	0.0002	0.0015	0.0001	0.0001	0.0007	0.0003	0.0008	0.0008
Uridine 3-monophosphate	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000
Urocanic acid	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0004	0.0001	0.0005	0.0002	0.0001	0.0001	0.0000	0.0003	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0003	0.0002	0.0004	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0002	0.0002	0.0000	0.0000	0.0002	0.0000	0.0000
Valine	0.0014	0.0018	0.0015	0.0014	0.0014	0.0013	0.0016	0.0015	0.0016	0.0013	0.0017	0.0015	0.0017	0.0017	0.0016	0.0016	0.0016	0.0016	0.0015	0.0017	0.0003	0.0007	0.0007	0.0012	0.0032	0.0010	0.0011	0.0018	0.0038	0.0059	0.0009	0.0016	0.0035	0.0042	0.0010	0.0009	0.0008	0.0003	0.0022	0.0006	0.0009	0.0009	0.0032	0.0031	0.0013	0.0007	0.0010	0.0005	0.0021	0.0003	0.0007	0.0047	0.0004	0.0005	0.0036	0.0011	0.0029	0.0028	0.0007	0.0050	0.0020	0.0030	0.0031	0.0014	0.0033	0.0024	0.0008	0.0003	0.0005	0.0009	0.0010	0.0011	0.0002	0.0043	0.0006	0.0004	0.0005	0.0004	0.0010	0.0003	0.0011	0.0011	0.0046	0.0024	0.0028	0.0019	0.0011	0.0003	0.0013	0.0001	0.0003	0.0006	0.0011	0.0014	0.0010	0.0027	0.0025	0.0009	0.0010	0.0056
Vanillic acid*	0.0002	0.0003	0.0002	0.0001	0.0002	0.0001	0.0002	0.0002	0.0002	0.0001	0.0002	0.0001	0.0002	0.0002	0.0002	0.0001	0.0002	0.0001	0.0001	0.0002	0.0001	0.0005	0.0001	0.0001	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0000	0.0001	0.0000	0.0003	0.0002	0.0001	0.0000	0.0004	0.0000	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0001	0.0002	0.0000	0.0002	0.0004	0.0001	0.0001	0.0001	0.0000	0.0001	0.0000	0.0000	0.0000	0.0000	0.0000	0.0002	0.0001	0.0001	0.0002	0.0001	0.0003	0.0003	0.0001	0.0003	0.0002	0.0007	0.0001	0.0001	0.0001	0.0001	0.0010	0.0001	0.0001	0.0000	0.0001	0.0001	0.0001	0.0001	0.0000	0.0005	0.0008	0.0000	0.0000	0.0001	0.0001	0.0001	0.0001	0.0002	0.0001	0.0001
Xanthine	0.0013	0.0018	0.0015	0.0016	0.0015	0.0016	0.0015	0.0016	0.0016	0.0017	0.0016	0.0016	0.0016	0.0016	0.0015	0.0016	0.0017	0.0018	0.0013	0.0017	0.0004	0.0026	0.0007	0.0005	0.0002	0.0000	0.0001	0.0001	0.0001	0.0000	0.0018	0.0001	0.0001	0.0001	0.0048	0.0050	0.0103	0.0129	0.0018	0.0064	0.0004	0.0078	0.0004	0.0001	0.0003	0.0034	0.0002	0.0003	0.0000	0.0007	0.0003	0.0005	0.0012	0.0013	0.0003	0.0024	0.0004	0.0002	0.0001	0.0000	0.0000	0.0001	0.0003	0.0000	0.0000	0.0000	0.0047	0.0091	0.0075	0.0009	0.0002	0.0003	0.0001	0.0003	0.0026	0.0014	0.0010	0.0005	0.0003	0.0029	0.0008	0.0057	0.0002	0.0001	0.0003	0.0015	0.0005	0.0017	0.0001	0.0020	0.0019	0.0012	0.0072	0.0029	0.0058	0.0003	0.0010	0.0023	0.0004	0.0002
Xylitol*	0.0013	0.0016	0.0013	0.0013	0.0013	0.0013	0.0015	0.0015	0.0016	0.0014	0.0015	0.0015	0.0015	0.0016	0.0015	0.0014	0.0016	0.0015	0.0012	0.0014	0.0021	0.0125	0.0243	0.0007	0.0003	0.0005	0.0001	0.0005	0.0006	0.0003	0.0001	0.0002	0.0003	0.0003	0.0002	0.0001	0.0000	0.0046	0.0001	0.0024	0.0002	0.0001	0.0002	0.0002	0.0003	0.0034	0.0007	0.0012	0.0003	0.0146	0.0002	0.0008	0.0321	0.0003	0.0006	0.0085	0.0001	0.0001	0.0003	0.0001	0.0004	0.0002	0.0006	0.0002	0.0002	0.0002	0.0001	0.0001	0.0001	0.0002	0.0002	0.0005	0.0000	0.0003	0.0007	0.0004	0.0002	0.0002	0.0008	0.0048	0.0001	0.0001	0.0002	0.0009	0.0015	0.0003	0.0002	0.0007	0.0003	0.0036	0.0052	0.0020	0.0021	0.0001	0.0001	0.0004	0.0005	0.0001	0.0018	0.0029
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
1-Methylguanine									
3-Hydroxypyridine*									
3-Methylhistidine									
4-Hydroxybenzoic acid									
4-Hydroxyproline*									
Adenine									
Adenosine									
Adenosine monophosphate									
Alanine*									
Allantoin									
Aminoadipic acid									
Asparagine									
Aspartic acid									
Azelaic acid									
Beta-Alanine									
Citraconic acid									
Citrulline									
Crotonic acid*									
Cyclic AMP									
Cysteic acid									
Cysteine-S-sulfate									
Cystine									
Cytidine									
Cytosine									
Deoxyuridine									
Fructose*									
Fumaric acid									
Gluconic acid									
Glutamine									
Glycerol 3-phosphate									
Glycine*									
Glycolic acid*									
Guanine*									
Guanosine									
Guanosine monophosphate									
Hippuric acid*									
Histamine									
Histidine									
Hypoxanthine									
IS: 13C15N - Alanine									
IS: 13C15N - Cystine									
IS: 13C15N - Glycine									
IS: 13C15N - Isoleucine									
IS: 13C15N - Leucine									
IS: 13C15N - Methionine									
IS: 13C15N - Serine									
Isoleucine*									
Kynurenic acid									
Kynurenine									
Leucine*									
Lysine									
Maleic acid									
Malic acid									
Methionine									
myo-Inositol									
N2,N2-Dimethylguanosine*									
N-Acetylalanine									
N-Acetyl-aspartic acid									
N-Acetylornithine									
N-Acetylserine									
Nicotinic acid									
O-Acetylserine									
Ornithine									
Pantothenic acid									
P-Coumaric acid*									
Phenylalanine									
Pimelic acid									
Pipecolic acid*									
Proline									
Pyroglutamic acid									
Pyruvic acid									
Quercetin-3,4'-O-di-beta-glucopyranoside*									
Riboflavin									
Serine									
Succinic acid									
Taurine									
Threonine									
Thymine									
Tryptophan									
Tyrosine									
Uracil									
Uric acid									
Uridine									
Uridine 3-monophosphate									
Urocanic acid									
Valine									
Vanillic acid*									
Xanthine									
Xylitol*									
METABOLITES_END
#END