#METABOLOMICS WORKBENCH spilley_20250819_120005 DATATRACK_ID:6309 STUDY_ID:ST004278 ANALYSIS_ID:AN007117 PROJECT_ID:PR001984
VERSION             	1
CREATED_ON             	October 13, 2025, 3:48 pm
#PROJECT
PR:PROJECT_TITLE                 	A metabolic atlas of mouse aging
PR:PROJECT_SUMMARY               	Humans are living longer, but this is accompanied by an increased incidence of
PR:PROJECT_SUMMARY               	age-related chronic diseases. Many of these diseases are influenced by
PR:PROJECT_SUMMARY               	age-associated metabolic dysregulation, but how metabolism changes in multiple
PR:PROJECT_SUMMARY               	organs during aging in males and females is not known. Answering this could
PR:PROJECT_SUMMARY               	reveal new mechanisms of aging and age-targeted therapeutics. In this study, we
PR:PROJECT_SUMMARY               	describe how metabolism changes in 12 organs in male and female mice at 5
PR:PROJECT_SUMMARY               	different ages. Organs show distinct patterns of metabolic aging that are
PR:PROJECT_SUMMARY               	affected by sex differently. Hydroxyproline shows the most consistent change
PR:PROJECT_SUMMARY               	across the dataset, decreasing with age in 11 out of 12 organs investigated. We
PR:PROJECT_SUMMARY               	also developed a metabolic aging clock that predicts biological age and
PR:PROJECT_SUMMARY               	identified alpha-ketoglutarate, previously shown to extend lifespan in mice, as
PR:PROJECT_SUMMARY               	a key predictor of age. Our results reveal fundamental insights into the aging
PR:PROJECT_SUMMARY               	process and identify new therapeutic targets to maintain organ health.
PR:INSTITUTE                     	University of Southern California
PR:DEPARTMENT                    	Keck School of Medicine
PR:LABORATORY                    	Mullen Lab
PR:LAST_NAME                     	Pilley
PR:FIRST_NAME                    	Steven
PR:ADDRESS                       	1501 San Pablo St., Los Angeles, CA, 90033, USA
PR:EMAIL                         	pilley@usc.edu
PR:PHONE                         	+13234427555
PR:FUNDING_SOURCE                	Impetus Grants 014746-00001
#STUDY
ST:STUDY_TITLE                   	Investigating the immediate metabolic effects of acute alpha-ketoglutarate
ST:STUDY_TITLE                   	supplementation in mice
ST:STUDY_SUMMARY                 	Alpha-ketoglutarate (aKG) supplementation extends healthspan and lifespan in
ST:STUDY_SUMMARY                 	mice and several other model organisms, and our metabolic atlas of mouse aging
ST:STUDY_SUMMARY                 	showed that plasma aKG levels drop with age. The immediate metabolic impacts of
ST:STUDY_SUMMARY                 	aKG supplementation are not known. In this study, we treated young and old male
ST:STUDY_SUMMARY                 	mice with aKG and measured metabolite levels in heart, kidney, liver, lung, quad
ST:STUDY_SUMMARY                 	muscle and spleen after 3 hours. Metabolic changes were limited suggesting that
ST:STUDY_SUMMARY                 	aKG exerts its positive effects via long term metabolic and cellular rewiring.
ST:INSTITUTE                     	University of Southern California
ST:DEPARTMENT                    	Keck School of Medicine
ST:LABORATORY                    	Mullen Lab
ST:LAST_NAME                     	Pilley
ST:FIRST_NAME                    	Steven
ST:ADDRESS                       	1501 San Pablo St., Los Angeles, CA, 90033, USA
ST:EMAIL                         	pilley@usc.edu
ST:PHONE                         	+13234427555
ST:NUM_GROUPS                    	4
ST:TOTAL_SUBJECTS                	19
ST:NUM_MALES                     	19
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	C57BL/6J
SU:AGE_OR_AGE_RANGE              	3-18 months
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	Jackson Lab
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	N/A	Blank 1	Injection order:1 | Sample source:Blank | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=EX000298_Blank_1.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Master pool 1	Injection order:2 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Master_Pool_1.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	CellQC 1	Injection order:3 | Sample source:QC | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=EX000298_CellQC_1.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Liver pool 1	Injection order:4 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Liver_Pool_1.mzML
SUBJECT_SAMPLE_FACTORS           	2	2	Injection order:5 | Sample source:Liver | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_2_Liver_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	9	9	Injection order:6 | Sample source:Liver | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_9_Liver_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	13	13	Injection order:7 | Sample source:Liver | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_13_Liver_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	6	6	Injection order:8 | Sample source:Liver | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_6_Liver_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	10	10	Injection order:9 | Sample source:Liver | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_10_Liver_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	18	18	Injection order:10 | Sample source:Liver | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_18_Liver_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	7	7	Injection order:11 | Sample source:Liver | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_7_Liver_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	16	16	Injection order:12 | Sample source:Liver | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_16_Liver_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	14	14	Injection order:13 | Sample source:Liver | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_14_Liver_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	15	15	Injection order:14 | Sample source:Liver | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_15_Liver_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Liver pool 2	Injection order:15 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Liver_Pool_2.mzML
SUBJECT_SAMPLE_FACTORS           	8	8	Injection order:16 | Sample source:Liver | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_8_Liver_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	5	5	Injection order:17 | Sample source:Liver | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_5_Liver_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	1	1	Injection order:18 | Sample source:Liver | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_1_Liver_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	11	11	Injection order:19 | Sample source:Liver | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_11_Liver_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	17	17	Injection order:20 | Sample source:Liver | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_17_Liver_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	4	4	Injection order:21 | Sample source:Liver | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_4_Liver_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	12	12	Injection order:22 | Sample source:Liver | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_12_Liver_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	19	19	Injection order:23 | Sample source:Liver | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_19_Liver_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	3	3	Injection order:24 | Sample source:Liver | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_3_Liver_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Liver pool 3	Injection order:25 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Liver_Pool_3.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Master pool 2	Injection order:26 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Master_Pool_2.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Lung pool 1	Injection order:27 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Lung_Pool_1.mzML
SUBJECT_SAMPLE_FACTORS           	5	24	Injection order:28 | Sample source:Lung | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_24_Lung_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	11	30	Injection order:29 | Sample source:Lung | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_30_Lung_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	12	31	Injection order:30 | Sample source:Lung | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_31_Lung_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	15	34	Injection order:31 | Sample source:Lung | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_34_Lung_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	9	28	Injection order:32 | Sample source:Lung | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_28_Lung_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	3	22	Injection order:33 | Sample source:Lung | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_22_Lung_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	8	27	Injection order:34 | Sample source:Lung | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_27_Lung_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	1	20	Injection order:35 | Sample source:Lung | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_20_Lung_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	17	36	Injection order:36 | Sample source:Lung | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_36_Lung_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	10	29	Injection order:37 | Sample source:Lung | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_29_Lung_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Lung pool 2	Injection order:38 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Lung_Pool_2.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Spleen pool 1	Injection order:39 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Spleen_Pool_1.mzML
SUBJECT_SAMPLE_FACTORS           	6	25	Injection order:40 | Sample source:Lung | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_25_Lung_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	19	38	Injection order:41 | Sample source:Lung | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_38_Lung_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	18	37	Injection order:42 | Sample source:Lung | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_37_Lung_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	7	26	Injection order:43 | Sample source:Lung | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_26_Lung_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	14	33	Injection order:44 | Sample source:Lung | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_33_Lung_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	13	32	Injection order:45 | Sample source:Lung | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_32_Lung_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	2	21	Injection order:46 | Sample source:Lung | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_21_Lung_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	16	35	Injection order:47 | Sample source:Lung | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_35_Lung_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	4	23	Injection order:48 | Sample source:Lung | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_23_Lung_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Lung pool 3	Injection order:49 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Lung_Pool_3.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Master pool 3	Injection order:50 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Master_Pool_3.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Spleen pool 2	Injection order:51 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Spleen_Pool_2.mzML
SUBJECT_SAMPLE_FACTORS           	2	40	Injection order:52 | Sample source:Spleen | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_40_Spleen_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	3	41	Injection order:53 | Sample source:Spleen | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_41_Spleen_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	9	47	Injection order:54 | Sample source:Spleen | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_47_Spleen_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	10	48	Injection order:55 | Sample source:Spleen | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_48_Spleen_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	16	54	Injection order:56 | Sample source:Spleen | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_54_Spleen_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	13	51	Injection order:57 | Sample source:Spleen | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_51_Spleen_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	4	42	Injection order:58 | Sample source:Spleen | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_42_Spleen_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	19	57	Injection order:59 | Sample source:Spleen | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_57_Spleen_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Spleen pool 3	Injection order:60 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Spleen_Pool_3.mzML
SUBJECT_SAMPLE_FACTORS           	5	43	Injection order:61 | Sample source:Spleen | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_43_Spleen_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	7	45	Injection order:62 | Sample source:Spleen | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_45_Spleen_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	17	55	Injection order:63 | Sample source:Spleen | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_55_Spleen_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	11	49	Injection order:64 | Sample source:Spleen | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_49_Spleen_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	1	39	Injection order:65 | Sample source:Spleen | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_39_Spleen_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	18	56	Injection order:66 | Sample source:Spleen | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_56_Spleen_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	12	50	Injection order:67 | Sample source:Spleen | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_50_Spleen_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	6	44	Injection order:68 | Sample source:Spleen | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_44_Spleen_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	8	46	Injection order:69 | Sample source:Spleen | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_46_Spleen_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Master pool 4	Injection order:70 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Master_Pool_4.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	CellQC 2	Injection order:71 | Sample source:QC | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=EX000298_CellQC_2.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Quad pool 1	Injection order:72 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Quad_Pool_1.mzML
SUBJECT_SAMPLE_FACTORS           	10	67	Injection order:73 | Sample source:Muscle (Quad) | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_67_Quad_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	7	64	Injection order:74 | Sample source:Muscle (Quad) | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_64_Quad_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	2	59	Injection order:75 | Sample source:Muscle (Quad) | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_59_Quad_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	19	76	Injection order:76 | Sample source:Muscle (Quad) | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_76_Quad_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	1	58	Injection order:77 | Sample source:Muscle (Quad) | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_58_Quad_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	13	70	Injection order:78 | Sample source:Muscle (Quad) | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_70_Quad_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	6	63	Injection order:79 | Sample source:Muscle (Quad) | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_63_Quad_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	3	60	Injection order:80 | Sample source:Muscle (Quad) | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_60_Quad_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	8	65	Injection order:81 | Sample source:Muscle (Quad) | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_65_Quad_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Quad pool 2	Injection order:82 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Quad_Pool_2.mzML
SUBJECT_SAMPLE_FACTORS           	17	74	Injection order:83 | Sample source:Muscle (Quad) | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_74_Quad_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	18	75	Injection order:84 | Sample source:Muscle (Quad) | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_75_Quad_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	14	71	Injection order:85 | Sample source:Muscle (Quad) | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_71_Quad_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	9	66	Injection order:86 | Sample source:Muscle (Quad) | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_66_Quad_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	11	68	Injection order:87 | Sample source:Muscle (Quad) | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_68_Quad_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	15	72	Injection order:88 | Sample source:Muscle (Quad) | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_72_Quad_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	12	69	Injection order:89 | Sample source:Muscle (Quad) | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_69_Quad_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	4	61	Injection order:90 | Sample source:Muscle (Quad) | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_61_Quad_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	5	62	Injection order:91 | Sample source:Muscle (Quad) | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_62_Quad_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Quad pool 3	Injection order:92 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Quad_Pool_3.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Master pool 5	Injection order:93 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Master_Pool_5.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Kidney pool 1	Injection order:94 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Kidney_Pool_1.mzML
SUBJECT_SAMPLE_FACTORS           	15	91	Injection order:95 | Sample source:Kidney | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_91_Kidney_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	8	84	Injection order:96 | Sample source:Kidney | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_84_Kidney_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	1	77	Injection order:97 | Sample source:Kidney | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_77_Kidney_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	14	90	Injection order:98 | Sample source:Kidney | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_90_Kidney_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	16	92	Injection order:99 | Sample source:Kidney | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_92_Kidney_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	4	80	Injection order:100 | Sample source:Kidney | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_80_Kidney_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	10	86	Injection order:101 | Sample source:Kidney | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_86_Kidney_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	13	89	Injection order:102 | Sample source:Kidney | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_89_Kidney_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	7	83	Injection order:103 | Sample source:Kidney | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_83_Kidney_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	3	79	Injection order:104 | Sample source:Kidney | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_79_Kidney_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Kidney pool 2	Injection order:105 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Kidney_Pool_2.mzML
SUBJECT_SAMPLE_FACTORS           	5	81	Injection order:106 | Sample source:Kidney | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_81_Kidney_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	9	85	Injection order:107 | Sample source:Kidney | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_85_Kidney_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	11	87	Injection order:108 | Sample source:Kidney | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_87_Kidney_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	19	95	Injection order:109 | Sample source:Kidney | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_95_Kidney_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	18	94	Injection order:110 | Sample source:Kidney | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_94_Kidney_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	17	93	Injection order:111 | Sample source:Kidney | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_93_Kidney_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	12	88	Injection order:112 | Sample source:Kidney | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_88_Kidney_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	2	78	Injection order:113 | Sample source:Kidney | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_78_Kidney_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	6	82	Injection order:114 | Sample source:Kidney | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_82_Kidney_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Kidney pool 3	Injection order:115 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Kidney_Pool_3.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Master pool 6	Injection order:116 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Master_Pool_6.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Heart pool 1	Injection order:117 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Heart_Pool_1.mzML
SUBJECT_SAMPLE_FACTORS           	1	96	Injection order:118 | Sample source:Heart | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_96_Heart_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	19	114	Injection order:119 | Sample source:Heart | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_114_Heart_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	15	110	Injection order:120 | Sample source:Heart | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_110_Heart_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	6	101	Injection order:121 | Sample source:Heart | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_101_Heart_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	10	105	Injection order:122 | Sample source:Heart | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_105_Heart_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	16	111	Injection order:123 | Sample source:Heart | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_111_Heart_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	8	103	Injection order:124 | Sample source:Heart | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_103_Heart_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	13	108	Injection order:125 | Sample source:Heart | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_108_Heart_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	7	102	Injection order:126 | Sample source:Heart | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_102_Heart_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Heart pool 3	Injection order:127 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Heart_Pool_3.mzML
SUBJECT_SAMPLE_FACTORS           	2	97	Injection order:128 | Sample source:Heart | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_97_Heart_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	N/A	Heart pool 2	Injection order:129 | Sample source:Pool | Age:N/A | Treatment:N/A	RAW_FILE_NAME(Raw file name)=Heart_Pool_2.mzML
SUBJECT_SAMPLE_FACTORS           	12	107	Injection order:130 | Sample source:Heart | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_107_Heart_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	9	104	Injection order:131 | Sample source:Heart | Age:COM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_104_Heart_COM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	4	99	Injection order:132 | Sample source:Heart | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_99_Heart_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	17	112	Injection order:133 | Sample source:Heart | Age:CYM | Treatment:AKG	RAW_FILE_NAME(Raw file name)=Jas_112_Heart_CYM_aKG.mzML
SUBJECT_SAMPLE_FACTORS           	14	109	Injection order:134 | Sample source:Heart | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_109_Heart_CYM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	3	98	Injection order:135 | Sample source:Heart | Age:COM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_98_Heart_COM_PBS.mzML
SUBJECT_SAMPLE_FACTORS           	11	106	Injection order:136 | Sample source:Heart | Age:CYM | Treatment:PBS	RAW_FILE_NAME(Raw file name)=Jas_106_Heart_CYM_PBS.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	We humanely euthanized mice 3 hours after intraperitoneal injection of PBS or
CO:COLLECTION_SUMMARY            	AKG, and flash-froze tissues.
CO:SAMPLE_TYPE                   	Liver, Lung, Quadriceps muscle, Kidney, Spleen, Heart
#TREATMENT
TR:TREATMENT_SUMMARY             	We acquired 10 old (17-months-old) and 10 young (2-months-old) male C57Bl/6J
TR:TREATMENT_SUMMARY             	mice from Jackson Lab and allowed them to habituate for 1 month before randomly
TR:TREATMENT_SUMMARY             	assigning them equally into control or treatment groups. We intraperitoneally
TR:TREATMENT_SUMMARY             	injected the control mice with PBS and the treatment mice with
TR:TREATMENT_SUMMARY             	alpha-ketoglutarate (aKG, Sigma Aldrich, 75890) at 10 mg/kg body weight. There
TR:TREATMENT_SUMMARY             	were 4 groups overall: 1) old control (COM_PBS); 2) old aKG (COM_aKG); 3) young
TR:TREATMENT_SUMMARY             	control (CYM_PBS); and 4) young aKG (CYM_aKG). All groups n = 5, except for old
TR:TREATMENT_SUMMARY             	control where n = 4.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	We homogenized samples in 0.3% formic acid in 1:1 Acetonitrile/Water and dried
SP:SAMPLEPREP_SUMMARY            	samples. We reconstituted dried supernatants in 50 uL of LC-grade Methanol:
SP:SAMPLEPREP_SUMMARY            	Ultrapure-water mix (1:1) .
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity II
CH:COLUMN_NAME                   	Agilent ZORBAX RRHD SB-C18 (150 x 2.1mm,1.8um)
CH:SOLVENT_A                     	97% water/3% methanol;15 mM acetic acid; 10 mM tributylamine at pH 5
CH:SOLVENT_B                     	100% methanol; 15 mM acetic acid; 10 mM tributylamine
CH:SOLVENT_C                     	100% acetonitrile, wash solvent.
CH:FLOW_GRADIENT                 	0.25 mL/min, 0–2.5 min, 100% A; 7.5 min, 80% A and 20% B; 13 min 55% A and 45%
CH:FLOW_GRADIENT                 	B; 20 min, 1% A and 99% B; 24 min, 1% A and 99% B; 24.05 min, 1% A and 99% C; 27
CH:FLOW_GRADIENT                 	min, 1% A and 99% C; at 0.8 mL/min, 27.5–31.35 min, 1% A and 99% C; at 0.6
CH:FLOW_GRADIENT                 	mL/min, 31.50 min, 1% A and 99% C; at 0.4 mL/min, 32.25–39.9 min, 100% A; and
CH:FLOW_GRADIENT                 	at 0.25 mL/min, 40 min, 100% A.
CH:FLOW_RATE                     	0.25-0.8 mL/min
CH:COLUMN_TEMPERATURE            	35
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Lyssiotis Lab
AN:OPERATOR_NAME                 	Li Zhang
#MS
MS:INSTRUMENT_NAME               	Agilent 6470 QQQ
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	The 6470 Triple Quad MS is calibrated with the Agilent ESI-L Low concentration
MS:MS_COMMENTS                   	Tuning mix. Source parameters: gas temperature 150°C, gas flow 10 L/min,
MS:MS_COMMENTS                   	nebulizer 45 psi, sheath gas temperature 325°C, sheath gas flow 12 L/min,
MS:MS_COMMENTS                   	capillary –3000 V, and delta EMV –200 V. Dynamic multiple reaction
MS:MS_COMMENTS                   	monitoring (dMRM) scan type is used with 0.07 min peak width, acquisition time
MS:MS_COMMENTS                   	is 24 min. Delta retention time of plus and minus 1 min, fragmentor of 40 eV,
MS:MS_COMMENTS                   	and cell accelerator of 5 eV are incorporated in the method. Compound
MS:MS_COMMENTS                   	optimization, calibration and data acquisition was performed using the Agilent
MS:MS_COMMENTS                   	MassHunter Workstation Software LC/MS Data Acquisition for 6400 Series Triple
MS:MS_COMMENTS                   	Quadrupole MS (software version 10.1) The targeted metabolomics measured 242
MS:MS_COMMENTS                   	metabolites from a reference library in negative mode.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	AU
MS_METABOLITE_DATA_START
Samples	1	2	3	4	5	6	7	8	9	10	11	12	13	14	15	16	17	18	19	20	21	22	23	24	25	26	27	28	29	30	31	32	33	34	35	36	37	38	39	40	41	42	43	44	45	46	47	48	49	50	51	54	55	56	57	58	59	60	61	62	63	64	65	66	67	68	69	70	71	72	74	75	76	77	78	79	80	81	82	83	84	85	86	87	88	89	90	91	92	93	94	95	96	97	98	99	101	102	103	104	105	106	107	108	109	110	111	112	114
Factors	Injection order:18 | Sample source:Liver | Age:COM | Treatment:PBS	Injection order:5 | Sample source:Liver | Age:COM | Treatment:PBS	Injection order:24 | Sample source:Liver | Age:COM | Treatment:PBS	Injection order:21 | Sample source:Liver | Age:COM | Treatment:PBS	Injection order:17 | Sample source:Liver | Age:COM | Treatment:AKG	Injection order:8 | Sample source:Liver | Age:COM | Treatment:AKG	Injection order:11 | Sample source:Liver | Age:COM | Treatment:AKG	Injection order:16 | Sample source:Liver | Age:COM | Treatment:AKG	Injection order:6 | Sample source:Liver | Age:COM | Treatment:AKG	Injection order:9 | Sample source:Liver | Age:CYM | Treatment:PBS	Injection order:19 | Sample source:Liver | Age:CYM | Treatment:PBS	Injection order:22 | Sample source:Liver | Age:CYM | Treatment:PBS	Injection order:7 | Sample source:Liver | Age:CYM | Treatment:PBS	Injection order:13 | Sample source:Liver | Age:CYM | Treatment:PBS	Injection order:14 | Sample source:Liver | Age:CYM | Treatment:AKG	Injection order:12 | Sample source:Liver | Age:CYM | Treatment:AKG	Injection order:20 | Sample source:Liver | Age:CYM | Treatment:AKG	Injection order:10 | Sample source:Liver | Age:CYM | Treatment:AKG	Injection order:23 | Sample source:Liver | Age:CYM | Treatment:AKG	Injection order:35 | Sample source:Lung | Age:COM | Treatment:PBS	Injection order:46 | Sample source:Lung | Age:COM | Treatment:PBS	Injection order:33 | Sample source:Lung | Age:COM | Treatment:PBS	Injection order:48 | Sample source:Lung | Age:COM | Treatment:PBS	Injection order:28 | Sample source:Lung | Age:COM | Treatment:AKG	Injection order:40 | Sample source:Lung | Age:COM | Treatment:AKG	Injection order:43 | Sample source:Lung | Age:COM | Treatment:AKG	Injection order:34 | Sample source:Lung | Age:COM | Treatment:AKG	Injection order:32 | Sample source:Lung | Age:COM | Treatment:AKG	Injection order:37 | Sample source:Lung | Age:CYM | Treatment:PBS	Injection order:29 | Sample source:Lung | Age:CYM | Treatment:PBS	Injection order:30 | Sample source:Lung | Age:CYM | Treatment:PBS	Injection order:45 | Sample source:Lung | Age:CYM | Treatment:PBS	Injection order:44 | Sample source:Lung | Age:CYM | Treatment:PBS	Injection order:31 | Sample source:Lung | Age:CYM | Treatment:AKG	Injection order:47 | Sample source:Lung | Age:CYM | Treatment:AKG	Injection order:36 | Sample source:Lung | Age:CYM | Treatment:AKG	Injection order:42 | Sample source:Lung | Age:CYM | Treatment:AKG	Injection order:41 | Sample source:Lung | Age:CYM | Treatment:AKG	Injection order:65 | Sample source:Spleen | Age:COM | Treatment:PBS	Injection order:52 | Sample source:Spleen | Age:COM | Treatment:PBS	Injection order:53 | Sample source:Spleen | Age:COM | Treatment:PBS	Injection order:58 | Sample source:Spleen | Age:COM | Treatment:PBS	Injection order:61 | Sample source:Spleen | Age:COM | Treatment:AKG	Injection order:68 | Sample source:Spleen | Age:COM | Treatment:AKG	Injection order:62 | Sample source:Spleen | Age:COM | Treatment:AKG	Injection order:69 | Sample source:Spleen | Age:COM | Treatment:AKG	Injection order:54 | Sample source:Spleen | Age:COM | Treatment:AKG	Injection order:55 | Sample source:Spleen | Age:CYM | Treatment:PBS	Injection order:64 | Sample source:Spleen | Age:CYM | Treatment:PBS	Injection order:67 | Sample source:Spleen | Age:CYM | Treatment:PBS	Injection order:57 | Sample source:Spleen | Age:CYM | Treatment:PBS	Injection order:56 | Sample source:Spleen | Age:CYM | Treatment:AKG	Injection order:63 | Sample source:Spleen | Age:CYM | Treatment:AKG	Injection order:66 | Sample source:Spleen | Age:CYM | Treatment:AKG	Injection order:59 | Sample source:Spleen | Age:CYM | Treatment:AKG	Injection order:77 | Sample source:Muscle (Quad) | Age:COM | Treatment:PBS	Injection order:75 | Sample source:Muscle (Quad) | Age:COM | Treatment:PBS	Injection order:80 | Sample source:Muscle (Quad) | Age:COM | Treatment:PBS	Injection order:90 | Sample source:Muscle (Quad) | Age:COM | Treatment:PBS	Injection order:91 | Sample source:Muscle (Quad) | Age:COM | Treatment:AKG	Injection order:79 | Sample source:Muscle (Quad) | Age:COM | Treatment:AKG	Injection order:74 | Sample source:Muscle (Quad) | Age:COM | Treatment:AKG	Injection order:81 | Sample source:Muscle (Quad) | Age:COM | Treatment:AKG	Injection order:86 | Sample source:Muscle (Quad) | Age:COM | Treatment:AKG	Injection order:73 | Sample source:Muscle (Quad) | Age:CYM | Treatment:PBS	Injection order:87 | Sample source:Muscle (Quad) | Age:CYM | Treatment:PBS	Injection order:89 | Sample source:Muscle (Quad) | Age:CYM | Treatment:PBS	Injection order:78 | Sample source:Muscle (Quad) | Age:CYM | Treatment:PBS	Injection order:85 | Sample source:Muscle (Quad) | Age:CYM | Treatment:PBS	Injection order:88 | Sample source:Muscle (Quad) | Age:CYM | Treatment:AKG	Injection order:83 | Sample source:Muscle (Quad) | Age:CYM | Treatment:AKG	Injection order:84 | Sample source:Muscle (Quad) | Age:CYM | Treatment:AKG	Injection order:76 | Sample source:Muscle (Quad) | Age:CYM | Treatment:AKG	Injection order:97 | Sample source:Kidney | Age:COM | Treatment:PBS	Injection order:113 | Sample source:Kidney | Age:COM | Treatment:PBS	Injection order:104 | Sample source:Kidney | Age:COM | Treatment:PBS	Injection order:100 | Sample source:Kidney | Age:COM | Treatment:PBS	Injection order:106 | Sample source:Kidney | Age:COM | Treatment:AKG	Injection order:114 | Sample source:Kidney | Age:COM | Treatment:AKG	Injection order:103 | Sample source:Kidney | Age:COM | Treatment:AKG	Injection order:96 | Sample source:Kidney | Age:COM | Treatment:AKG	Injection order:107 | Sample source:Kidney | Age:COM | Treatment:AKG	Injection order:101 | Sample source:Kidney | Age:CYM | Treatment:PBS	Injection order:108 | Sample source:Kidney | Age:CYM | Treatment:PBS	Injection order:112 | Sample source:Kidney | Age:CYM | Treatment:PBS	Injection order:102 | Sample source:Kidney | Age:CYM | Treatment:PBS	Injection order:98 | Sample source:Kidney | Age:CYM | Treatment:PBS	Injection order:95 | Sample source:Kidney | Age:CYM | Treatment:AKG	Injection order:99 | Sample source:Kidney | Age:CYM | Treatment:AKG	Injection order:111 | Sample source:Kidney | Age:CYM | Treatment:AKG	Injection order:110 | Sample source:Kidney | Age:CYM | Treatment:AKG	Injection order:109 | Sample source:Kidney | Age:CYM | Treatment:AKG	Injection order:118 | Sample source:Heart | Age:COM | Treatment:PBS	Injection order:128 | Sample source:Heart | Age:COM | Treatment:PBS	Injection order:135 | Sample source:Heart | Age:COM | Treatment:PBS	Injection order:132 | Sample source:Heart | Age:COM | Treatment:PBS	Injection order:121 | Sample source:Heart | Age:COM | Treatment:AKG	Injection order:126 | Sample source:Heart | Age:COM | Treatment:AKG	Injection order:124 | Sample source:Heart | Age:COM | Treatment:AKG	Injection order:131 | Sample source:Heart | Age:COM | Treatment:AKG	Injection order:122 | Sample source:Heart | Age:CYM | Treatment:PBS	Injection order:136 | Sample source:Heart | Age:CYM | Treatment:PBS	Injection order:130 | Sample source:Heart | Age:CYM | Treatment:PBS	Injection order:125 | Sample source:Heart | Age:CYM | Treatment:PBS	Injection order:134 | Sample source:Heart | Age:CYM | Treatment:PBS	Injection order:120 | Sample source:Heart | Age:CYM | Treatment:AKG	Injection order:123 | Sample source:Heart | Age:CYM | Treatment:AKG	Injection order:133 | Sample source:Heart | Age:CYM | Treatment:AKG	Injection order:119 | Sample source:Heart | Age:CYM | Treatment:AKG
(S)-2-Methyl-1-butanol	15501	31537	31760	17371	29218	66413	9286	73822	18085	18959	25658	17182	29444	13011	41817	15317	28694	27383	67999	17346	25287	15220	11907	14898	18430	8015	55290	5759	8685	12636	12450	10879	15279	15011	14288	10569	22048	9766	9850	13101	15266	13844	11837	12821	7076	10967	12937	5521	7641	6892	7351	10460	6147	17936	10430	54524	88669	105049	184833	139026	110178	161829	102679	97370	149480	194021	123011	134831	132646	145040	160044	93051	110068	33782	35087	20586	24987	17762	23917	15325	20148	25478	20100	20082	11979	19527	11629	15920	19297	17655	17059	13680	5184	5342	6867	6452	6539	4349	5758	2976	6953	9242	4677	6395	6079	6018	12385	5021	6025
2-Deoxy-D-glucose 6-phosphate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	39609	40100	30566	42362	28526	51298	40317	46810	36735	29310	24337	34223	33595	35745	36529	36870	37283	38801	27915	20203	26722	29101	24139	29425	30691	22348	27591	25899	19658	13478	20882	25611	22349	23892	23333	23346	35981	28339	30085	32382	25703	24633	22533	17523	36360	22646	17821	20549	33498	15892	21181	28854	26705	18545	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	61042	42104	54800	60848	58166	42077	55145	53378	53594	33866	58805	49265	44587	37600	48759	15158	38696
2-Isopropylmalic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2501	2536	3215	2771	3334	2529	2397	3036	2561	3179	3218	3881	3678	2455	3427	3947	3616	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
2-Oxoglutaric acid	11011	12948	13339	12373	13301	16340	9391	16543	12104	14925	18701	10900	12641	8645	15557	11305	11121	10532	11418	6960	6968	7199	8393	7447	7787	6243	8131	6426	7307	7591	8373	6566	8095	7375	8121	7622	9199	8686	7257	7212	7523	6606	8354	8201	6043	6961	6025	7471	7142	7691	6215	6016	6376	6488	7315	11988	16275	13232	12576	12122	10865	12508	11290	17767	24258	23397	12752	20131	11566	15358	13735	12457	16149	18995	12284	10951	10494	9711	8223	9590	8980	11088	8694	11406	7536	8759	8380	9204	7716	6701	7086	7035	15378	16402	15838	15509	15848	12624	17625	13494	17874	11224	14007	16229	15467	12827	13554	8993	12534
2-Phosphoglyceric acid	5629	9246	17616	7146	15651	22645	7059	20796	6814	7042	12144	5657	10283	5140	12301	12743	15366	40871	16445	13751	20249	19070	15738	15791	15760	11053	31700	9487	10019	20646	15830	16948	20498	24203	24281	17335	33826	20391	14857	28159	28178	40088	40508	37187	25074	35138	39005	24245	47126	26073	32390	41950	25566	26439	26817	2910	7939	6504	84610	11969	7643	14410	12408	7787	15207	33097	6378	23534	9864	70913	37194	19960	56809	153595	88810	80379	106940	183841	95294	92307	80148	47965	37793	60420	23634	65190	16431	32553	74408	38286	65400	53743	2316	6411	2960	3415	4704	2348	4307	3695	2075	6160	1654	3626	3853	8363	8273	7544	4803
"3',5' cyclic AMP"	1293	1495	1189	1114	789	1304	1083	1152	1023	1204	1542	1122	1618	1148	1458	1500	1206	1386	1533	2580	2898	3121	2891	2310	3701	2960	2893	2748	2695	2767	3239	2698	3424	3554	2296	3206	4490	2393	2492	2794	3089	2588	3260	2662	2207	2092	2733	2744	1920	1961	2209	1979	2682	2778	1827	629	316	615	414	625	540	342	755	467	737	468	310	464	1010	858	766	487	1075	1032	655	694	907	950	671	668	488	426	843	686	668	796	695	486	584	782	819	891	1145	1530	1250	1694	918	1171	1472	1121	1329	1199	858	1155	1411	1286	2103	957	1320
"3',5' cyclic GMP"	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	640	1698	2267	2540	2347	3312	1719	1539	1728	2605	2503	793	2195	1984	3367	1950	1667	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
3-Hydroxybutyric acid	408746	777630	700668	662924	334466	639924	385436	389446	436844	543580	539964	464166	547206	470377	348094	344134	431263	402574	457627	175190	311123	287375	252695	135889	148340	167882	187349	170489	269885	254857	188279	266204	200050	144178	136576	228872	239518	162230	70094	119901	151035	150368	77536	83870	36538	81820	101494	128793	154104	50379	136536	53594	142213	134520	86801	68137	80909	95275	70882	56979	76609	53685	55550	61141	76298	74908	35675	86392	64444	64998	68426	59319	59245	175161	251550	260495	292724	197340	183481	174707	200251	196846	255303	318064	196878	213076	125452	191529	190816	197934	199783	167144	389781	763550	611505	525802	363198	357119	331807	399902	508975	453300	452490	518768	295126	479390	321992	318144	237697
3-Methyl pyruvic acid	23690	24842	24990	26265	17879	25402	20801	21565	21842	20271	24228	25360	16146	24190	24298	23867	23365	21524	25323	19134	16430	13238	18300	18027	21490	17675	15610	16772	21296	25920	19963	18545	17216	19622	16660	21971	21696	17862	15895	18509	22146	16776	12617	19473	15639	16350	16337	14853	17227	17066	13681	16727	18185	21143	18319	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	12135	22141	18787	17678	20214	19022	19020	18342	18199	19248	17814	19204	17634	19501	21536	19235	18693	18163	20885	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
4-Hydroxy-L-glutamic acid	3796	3239	2906	3044	12598	21982	16765	10919	13901	4264	5654	5300	4931	4017	24612	10207	7860	9127	14400	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	6027	2987	3821	4436	6106	4753	7699	3602	2206	9957	4344	7510	8595	6154	13513	10057	8028	5592	6405	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
4-Pyridoxic acid	3943	3338	2886	5464	3959	4069	4408	3677	5339	4238	5835	3756	3069	3393	3666	3985	7342	5951	6561	1294	1285	1203	1327	808	837	1307	1558	977	1398	1285	839	1282	2192	510	1497	1429	1571	1894	708	523	518	2790	916	317	303	1216	551	865	410	497	215	251	743	339	2664	682	612	716	2142	664	339	485	974	572	298	1753	532	548	1157	400	707	279	3984	3880	3362	6616	8054	1202	2064	4549	2694	3076	4238	3483	3728	2835	4782	2602	1746	2357	7039	2889	549	612	373	455	224	421	310	373	389	729	486	302	989	470	479	1158	460
5'-Methylthioadenosine	4734	4648	4473	4788	2993	4188	4050	3084	3395	2848	4929	7335	3279	6111	4763	4809	6070	3580	5621	3921	4863	3121	5665	2520	5065	5175	5265	4284	3798	3990	5040	4878	6213	5502	4411	4662	5949	4204	4329	3798	4567	4580	5062	5179	4715	4430	3648	6360	5598	4687	4927	5919	4530	4189	2992	2772	2207	1649	1669	2615	2384	1039	1823	2666	1835	1382	2839	1976	2085	1903	2005	2216	1735	6521	6162	3570	3368	6304	3869	6006	3673	3450	9505	7037	7549	6196	6051	7323	4274	7825	3640	7625	4388	5735	6049	6365	4824	3777	5007	4419	5630	6688	6335	6556	5291	4038	5533	3196	4296
5-Hydroxyindoleacetic acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1503	2255	2313	1876	1703	2722	2195	1741	1889	1680	417	2171	886	1193	1485	393	2651	850	1711	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Acetoacetic acid	3176	4172	3308	3070	3274	4359	2173	7835	1901	3297	3229	3103	3225	3388	2999	1576	2682	1435	4680	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	705	538	499	307	468	484	415	569	311	350	295	590	256	360	243	485	592	1064	774	779	810	772	634	905	626	714	872	777	431	923	585	682	734	641	874	269	471	670	545	366	747	363	673	818	373	574	344	540	270	463	802	683	486	559	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Adenine	4122	3156	3213	3118	2264	4079	4025	2378	2316	2143	3410	3580	2108	3345	2959	3807	2783	2647	3280	950	1077	1273	1181	794	988	1200	1448	945	719	517	1272	1238	1804	1425	1405	1532	2262	2130	2681	2190	1966	2783	2767	3003	2119	1554	1681	4324	3889	3587	2860	2636	3415	3133	3713	1996	824	1827	683	947	1055	937	1069	1775	1338	1011	829	1298	1530	817	1042	1500	953	2985	1811	3560	3944	6429	4771	7153	3227	6791	6599	10159	6764	7273	7684	12312	8199	9905	6813	11187	25680	26672	29000	17150	44767	13561	29715	9873	27258	26715	23749	33631	17977	26399	25540	16683	21945
Adenosine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	928	718	606	1423	3934	6347	3068	746	2313	900	893	1219	596	906	650	1063	987	807	700	1769	4056	1326	1713	8314	1670	4991	1131	980	4453	7772	4503	1645	1317	8462	7525	5770	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	281	309	261	362	1639	280	408	387	597	533	417	1134	459	1390	4941	337	960	512	703	29409	3687	54644	905	110061	11160	30313	7908	8404	3138	59198	22943	891	10313	39430	13215	28928
Adenylsuccinic acid	8620	3789	8898	5747	3368	2228	3027	4725	4969	10471	9206	4959	5546	5710	6002	3676	6081	5620	1411	4123	3352	4211	4537	3264	5062	4240	4362	4969	4961	4732	3955	4131	4630	6355	4074	5930	6234	3260	395	693	164	727	314	995	404	439	102	4398	7132	1284	2501	3311	3299	3231	1569	10234	11758	12970	5750	3694	6238	6614	5256	12002	13155	6946	1584	13538	6241	5618	10790	11443	10040	437	655	1496	714	354	700	1251	464	694	1515	2064	1743	1332	2505	2444	691	2341	2403	2077	22561	30805	27456	29608	16940	17668	18866	35816	12956	34885	16467	28650	31059	20460	19156	12378	18180
Allantoin	3775	7075	4957	4438	5499	5970	4192	7107	4785	4910	6297	5733	6981	4875	6842	4036	5998	6057	6420	2046	2479	2241	2072	1590	2095	1773	3028	1766	2479	1765	2423	2448	2381	1726	2159	2322	3133	2258	1506	1150	1066	2113	1086	1283	1178	1775	1123	1362	1202	1278	1090	1684	1518	1337	2323	890	532	723	1245	600	302	583	783	878	621	620	657	759	529	763	769	552	1825	2608	3166	4955	3534	2091	1540	2772	4387	2838	2402	1879	2893	2593	2360	1585	1611	3532	4790	2403	986	1552	1093	1332	984	958	1130	1098	1322	798	1249	1233	1022	1100	1322	2110	1112
Arabinose 5-phosphate	102433	126654	107197	91627	92185	92308	61271	97006	80107	101905	110178	76265	82737	98507	74413	107179	80399	100657	113117	231047	269739	260123	249169	198937	269179	283082	257303	257750	188861	244746	316218	271610	303261	235800	318015	291591	343417	272295	202547	273689	301844	297380	459126	308003	302145	322293	330851	224271	217548	266358	347484	430215	518065	539839	343593	125500	109795	122052	102566	106805	92832	97313	80443	103988	92501	83193	86655	88168	98073	77268	85471	103443	69592	156694	138913	105958	122574	107906	100222	189474	69985	108307	194238	185588	159729	144556	218394	167928	101536	169852	141283	221139	332700	412435	387708	377354	343573	372326	344803	422165	376565	482111	469438	425661	441137	283358	324403	238704	351379
Arginine	909	824	594	769	1021	1404	1216	801	1036	922	1294	1022	1172	921	861	837	897	1634	914	3459	3715	4318	3359	3861	3899	4299	2742	2791	2392	3636	3576	3354	3818	4749	2862	3409	4087	3246	12808	15321	15310	17188	15766	16420	15641	13957	15162	14534	15924	12128	14493	14336	14677	13370	11954	4981	2766	5172	5906	2756	4013	3254	3890	2701	3994	3808	4687	4174	2577	4093	4839	5516	4251	8912	10344	6941	9678	8340	11129	8322	7878	7873	10261	7787	9852	8333	8855	8731	8576	10204	7813	11660	6127	5078	4139	4559	6582	5099	4936	4425	5411	4438	5737	5746	4799	4979	5686	4768	5751
Argininosuccinic acid	902	722	603	1021	473	596	802	501	767	646	713	718	699	555	696	715	1157	1094	936	2142	1909	2333	1874	1954	2199	1916	1560	1709	1671	1881	1978	2128	2082	1781	1670	1701	1832	1922	4486	5752	6906	5699	7046	7265	5458	5002	5400	4595	4835	4147	4584	3956	4884	3794	3975	1049	661	890	999	481	605	408	307	564	735	285	462	413	249	312	687	690	516	7156	3842	3933	4560	7825	3415	5171	4436	2624	4372	5759	3334	4336	2847	6330	2873	3790	2977	4135	1262	1501	1030	909	1342	1331	1186	975	1176	1282	1156	1454	1338	1232	1541	1088	1075
Asparagine	7544	8121	6393	5297	3610	6956	5687	5406	4093	5742	6747	7178	8543	5505	8517	5287	8756	8096	5493	3194	3531	3549	2654	3024	2649	3473	2332	3092	3143	5582	3317	3302	3318	4299	3494	2627	3728	2987	4498	5657	4974	7628	5464	5494	5789	5281	4676	5905	7818	4488	3855	3792	4327	4134	4551	399	428	704	448	396	783	414	640	599	524	1114	950	595	630	651	526	889	629	13247	12219	9784	12402	8936	10042	9844	9743	8005	10725	14730	12908	8654	10674	10736	10154	11846	8880	12598	1675	1957	1426	1809	1332	1559	1795	1785	1400	2736	1920	1922	2102	2094	1936	1725	1713
Aspartic acid	371160	237207	284312	338678	174783	250456	208113	188266	198386	394921	459322	345352	271772	330416	274177	316527	364807	321802	217795	934130	986209	975258	974966	736628	1013211	950193	918934	864065	939166	978967	1278634	1073252	1389870	1544522	1256908	1063833	1447556	1083933	1967289	1966630	2304878	1981540	2138852	2136953	1756495	2111349	2035369	2357055	1927209	1868261	2241805	2324137	1871519	1900959	1857843	214053	181211	179305	162793	136543	113924	167984	137465	153804	189953	114297	143620	169598	175280	133220	144707	227775	150403	1388379	1124834	973028	1180506	1035048	1018092	1275812	940079	815461	1443562	1304373	1256110	1253708	1249311	1349005	1060578	1334412	916634	1261161	713795	1005400	793274	911136	635762	574618	817018	549883	853200	1105139	961595	1142253	1150541	951611	1243329	565881	759959
Carglumic acid	757	639	544	638	416	618	542	683	535	233	566	685	583	1055	810	607	450	848	519	322	562	347	442	670	360	383	580	345	589	390	474	465	398	552	454	323	629	292	760	1216	1403	1066	1333	1044	803	1198	1286	1275	1149	1204	1520	1298	1012	1338	1501	171	346	436	207	257	281	240	286	457	422	221	157	200	241	58	240	106	244	523	262	203	351	171	125	459	287	213	656	235	222	262	398	346	199	420	314	146	659	510	470	616	311	402	595	325	518	507	348	862	620	502	600	149	297
Carnitine	9205	6679	6332	6153	7880	7874	7915	6156	5741	8341	8794	6484	7208	6750	8428	6850	9495	5723	9255	18151	16767	15049	15744	21268	20555	18598	14817	15724	23190	19873	19396	16596	19766	21299	22161	23079	26772	21645	12001	8734	7953	7427	8107	9277	10556	11801	8370	7718	7649	9128	7705	8652	7508	8789	8474	3882	4398	4903	5432	3452	4819	3912	3421	4805	4914	2387	4851	4114	4096	3467	4367	8595	4175	11995	11135	10682	11888	15798	14655	15789	15191	13954	12771	16254	13079	14370	12056	18356	17315	14214	16467	14446	26055	25580	25237	25145	24910	23311	25449	20815	28680	26337	23142	24916	20137	21954	24281	16312	28126
CDP	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	395	583	311	533	371	643	321	435	520	385	496	599	760	564	574	527	472	162	254	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
cis-Aconitic acid	42570	25634	38629	29244	21845	34189	24406	58134	30390	24537	39647	27879	25135	25620	26294	24291	37890	25482	32304	92471	82107	74720	91712	73945	110363	86812	97970	76068	110534	136287	108972	92998	96676	96249	74173	104436	125273	101994	73006	81761	104562	93414	106073	83739	59884	76698	83739	86630	75728	60821	91646	68440	63571	70851	90368	27846	24230	34763	36011	20203	25902	28970	23671	23933	18413	37171	17850	19927	25538	23938	16467	26115	30202	93098	73333	84420	105171	71560	69355	103560	48243	65238	73391	68176	61892	75734	56892	72207	53395	70899	104025	68316	62519	77579	74907	55694	40680	55287	88054	56567	50700	78803	63031	79236	48788	66535	92580	83469	61374
Citrulline	1288	3104	3097	1133	1199	2289	1924	2548	1437	1407	2074	1893	5357	2285	3314	3347	2864	3422	3897	5282	4265	5049	6329	4058	5554	6368	5586	4929	6347	8879	7320	7379	6091	6591	7413	6877	6846	6107	2276	2758	2156	1978	2383	3809	2908	2039	2201	2938	2669	3380	2575	2388	2866	2461	2799	5882	4396	5658	6139	3811	4458	3943	4591	3726	5429	6268	5087	4317	4686	6660	6845	5659	5261	1775	1403	1861	1926	1300	1670	1964	1487	1255	1895	2220	1544	1136	1511	1475	1818	2350	2559	1620	8189	6801	7688	7953	11566	5905	8119	6749	7708	10900	9434	9537	8226	7007	5748	8749	8400
CMP	82008	54801	52964	61038	50818	59693	53107	78686	49202	73797	89716	78704	60109	93072	63190	59966	63418	61011	62469	99440	70149	76598	82846	70470	107963	77711	85163	75672	106040	112673	116436	72288	141737	161575	110251	104367	147766	89987	61294	44045	45709	49074	58167	55730	48069	45035	38392	98831	64990	66418	66173	70146	55064	61999	56346	71342	55130	54112	54763	46397	56126	49064	50364	54518	64260	57642	34532	51528	48698	52118	50355	38823	50130	26556	31945	29014	40140	22544	36129	33122	25397	34555	50473	48654	51089	45502	59696	54815	42645	62804	41140	60698	13585	17999	15297	14996	14311	12044	14891	16229	12188	19789	11508	19884	17934	27593	60695	14576	12697
Coenzyme A	168	246	278	203	93	194	119	166	104	99	210	63	69	171	145	156	182	197	128	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Creatine	1823	1370	3255	2051	2159	1733	2442	1671	12291	1865	2848	2530	3713	2175	3762	3715	4579	3660	15823	40006	58164	35730	42389	45332	38337	43989	89024	67048	33444	37827	34884	69920	43495	37260	47921	37557	49339	47958	22747	29694	25806	28068	26445	40551	25318	22211	32530	23237	21284	23435	28984	26383	20348	23658	25971	895324	872260	838464	797728	898464	813036	925192	795850	846823	895624	864137	789165	871157	933356	867041	823193	874372	811374	40345	20939	23566	31326	31162	27953	27161	27333	34945	27643	26521	27502	28248	27778	35265	34349	36571	29331	27523	310268	308520	381261	355289	326130	294809	311625	297559	339712	322303	350539	309120	299929	239495	214941	243389	309710
Creatinine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	303	271	203	535	238	307	301	409	573	190	186	323	361	241	232	356	402	7043	6951	7893	7092	7824	8175	8167	7439	7350	7054	7557	7533	7879	7133	6735	7327	7463	7395	712	764	1081	1093	499	688	505	699	908	887	799	941	474	443	696	472	455	961	521	5182	5223	5638	6317	4386	4514	4794	4582	3707	4898	4770	4751	4441	3075	3272	2927	4168
Cystathionine	385	447	157	232	55	96	439	475	135	294	316	231	530	286	932	574	643	549	516	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cysteine	1086	1481	1640	1855	1386	1689	1206	1769	1337	1317	1510	1493	1845	1281	1249	1953	1344	1572	1743	7870	5037	4995	6372	6222	8917	4680	6211	7323	5653	10567	8717	4340	8120	9418	5871	7450	8905	6871	7404	12442	9812	8896	8029	16610	7003	8159	5901	11566	8320	9303	8362	10114	9223	9821	12582	733	708	790	619	665	862	917	950	929	496	1945	1000	794	674	1098	912	1128	1211	92995	70593	72094	74838	89739	69561	104193	73490	65628	115769	95698	88658	88475	103259	98254	86003	74667	82537	104432	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cystine	629	363	631	463	445	905	491	433	630	359	137	428	729	433	448	384	627	594	482	744	1586	1358	859	1015	1999	1352	1071	1445	1282	867	789	871	1285	209	995	490	237	476	145	267	139	611	167	746	337	128	273	134	180	194	35	124	62	82	69	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	23567	30548	31364	30249	20721	17877	29772	15989	17154	22538	40757	17988	30029	22642	19770	19552	12170	12396	22129	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Cytidine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2581	5780	4868	3838	5654	3939	5042	3756	3403	2359	3098	3550	2605	4365	4065	4952	4987	209	101	150	263	488	325	131	239	168	261	56	184	181	180	317	346	76	235	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
dAMP	126	97	69	134	82	81	91	181	109	24	235	126	53	135	50	101	126	53	79	186	229	159	246	247	206	214	303	255	117	234	370	237	236	6614	339	197	2780	177	1210	1043	1363	1127	1743	1628	1711	1771	1143	2469	2090	1618	1385	1896	2477	1301	1412	230	122	225	186	173	230	209	115	287	194	93	123	145	278	38	155	205	181	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	103	194	79	172	71	39	209	177	71	64	130	66	183	740	3907	111	187
dCMP	1562	1264	1082	1392	926	1017	1204	1315	1242	1316	1416	1392	888	1440	1248	1274	1253	1125	1097	1730	1379	1455	1178	1300	1453	1318	1359	1337	1293	1616	1795	1218	1867	9462	1607	1360	4675	1343	5889	5250	8305	5833	7888	6868	5974	6384	6160	8084	7992	6969	5486	9128	6626	5535	5969	513	552	443	334	231	352	265	161	278	555	413	363	419	296	538	375	362	392	901	824	877	846	638	614	1090	772	854	1139	1118	812	940	856	1139	723	1004	600	1122	341	620	526	293	499	281	485	555	294	484	207	494	502	1704	5297	476	444
Deoxyribose 5-phosphate	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	3614	3201	2712	4755	3000	3499	5356	2105	4116	4011	3314	4074	3393	4671	9267	4326	4357	6039	2741	1102	1420	1662	1423	1847	1835	1339	1130	1235	1959	1975	1600	1241	2393	3437	1661	1947	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2174	1584	2279	2376	950	1049	915	1099	2883	1949	1627	1816	1278	1676	4168	806	1094
dGDP	683	404	689	674	236	879	862	514	546	291	446	110	708	691	970	815	474	494	269	1710	1209	1417	1352	1215	2140	1392	2879	1476	1225	1020	1676	1515	1864	1170	1271	1351	1265	1376	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	16372	19027	19885	13376	16075	15281	17653	11988	17655	15146	17725	9656	16881	16763	21077	16379	14022	14644	1479	1337	1138	1170	1397	609	2041	651	920	1821	1540	2161	1394	2377	1791	903	915	413	1966	5705	6906	5599	5909	6181	3957	6186	7128	4994	6614	5946	6621	6231	3266	3275	2888	4701
dGMP	1057034	962143	910997	952944	790741	999010	977761	1048154	900994	864625	1097191	1233298	884650	1163006	945363	1120937	1255306	1039656	1052672	406913	302774	341819	498026	285785	425756	433329	372600	460851	436382	432826	430995	321463	454252	693730	441589	622561	783403	409474	167462	156764	180828	215484	208158	182434	153527	145889	165503	499860	452454	200166	334581	324247	324688	350553	236180	407584	413865	370920	168745	211953	320800	277049	410007	449641	410086	252875	160375	483273	368204	221707	383322	378965	426399	70254	79184	77445	90003	64263	84640	97538	64692	94649	142976	103598	138470	120705	192507	153731	92332	165985	139920	147852	332801	388566	364590	387309	332233	263447	303391	389060	349395	336747	312341	320745	296127	301793	310568	217624	297532
dGTP	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	421	546	647	949	511	458	647	357	790	566	1036	441	706	409	2305	1015	736	807	470	414	244	100	281	158	248	148	194	429	228	309	260	377	368	118	175	49	410	605	682	430	461	610	414	642	858	396	552	540	612	599	264	405	271	453
Dihydroxyacetone phosphate	191061	170569	201831	225144	134821	170222	192330	96498	186744	189705	155002	158154	176079	196512	141241	218863	108862	161302	101434	244494	205767	226575	216255	195170	237247	205242	225255	191931	180556	216907	285920	186590	276489	212767	246372	212679	242526	219895	200927	243169	292348	237857	302170	237099	205267	249642	267410	265632	284687	260941	287450	319952	258737	250228	275581	2764	3413	2627	27390	2872	3722	4145	3458	5625	11122	9639	9580	17968	7988	66002	38950	19969	29178	63638	47138	54677	48989	47331	41968	74208	27648	36249	53397	42376	40000	51564	52967	38410	32825	46619	54424	52736	10193	29089	9991	19127	14797	37961	17108	33875	12034	33440	13220	19901	11845	34506	74764	48161	17727
dTDP	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	6703	7954	6042	4660	12391	7783	7814	8171	2946	8037	6808	5608	7563	7239	14540	10889	11672	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1343	1591	3099	2299	1442	953	1203	2160	624	2639	1397	2040	1649	1815	3191	698	1247
FAD	1836	2032	1750	1697	1147	1581	1456	1596	1304	1177	1660	1373	1187	1262	1170	1864	1493	1771	1762	321	401	574	370	236	533	306	449	551	415	266	485	301	694	374	304	442	573	194	295	184	521	180	357	367	137	685	175	331	211	150	282	246	314	240	216	607	634	704	488	323	385	477	79	684	465	455	238	447	299	510	504	502	400	1594	1305	1164	1426	1630	1015	1474	728	836	2052	1068	1611	1467	1911	1693	742	1093	1139	1500	1542	2241	1875	1960	1680	1019	1623	2641	1102	1273	1424	1655	1723	915	1304	690	1683
"Fructose 1,6-bisphosphate"	10805	10665	17982	13259	11667	10910	10423	5912	13744	11796	9437	5686	9735	8552	6715	9403	3776	8202	2518	10104	8250	9425	7385	5874	11726	5923	7962	6825	7432	6171	11707	6644	9999	6829	6575	6317	5499	4446	1075	4730	4514	5599	3708	3627	3040	4021	5865	3814	8333	7600	6264	7614	2425	2865	3374	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1488	1077	1988	1359	1465	1413	2686	611	574	1431	1073	1647	1698	1455	529	454	911	1983	1138	141	312	53	299	127	731	180	614	61	585	172	72	167	767	2669	740	177
gamma-Aminobutyric acid	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	147	652	257	148	363	450	266	327	395	148	131	159	401	347	260	345	117	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
gamma-Glutamylcysteine	103476	89508	77814	101801	71615	115595	83003	139517	64260	77164	133213	77200	95226	82113	83232	123481	118230	150782	82175	14742	10578	9316	10534	9780	19347	9096	14582	12011	10481	18847	13436	8190	16155	17210	10645	15354	21767	9731	17073	38035	33770	24753	40447	42978	24090	28616	16323	54784	42601	24711	41449	54703	85563	63832	63348	3657	3283	3246	3934	2498	2870	3277	3294	3743	3800	4626	2353	4041	2960	4723	3171	3963	4391	10519	6792	7150	8068	7818	7829	11146	8361	6938	13081	8719	12924	12048	14775	13083	9400	11457	17023	12708	3048	1370	3700	3176	3228	1150	2345	668	3161	2372	3193	2413	2073	2256	7975	1997	3378
Gluconic acid	422780	284185	413787	480943	302291	520223	385259	354093	337078	509699	635169	271599	388660	407566	397843	396625	721869	662503	446979	5833	6991	5767	7108	4473	4840	8818	6369	7583	7244	7916	6419	5741	4958	5392	6849	9698	8584	6273	4245	3608	5583	6295	2293	5208	2784	5938	5949	5188	4049	4479	5181	4201	5278	2710	5598	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	130696	95682	79869	114190	87857	59629	111039	76438	81453	100038	68491	108711	88975	87625	93290	63515	90744	52483	86625	1185	2166	1566	1912	1278	2281	1171	1049	1941	2888	801	3392	1594	3025	1973	4553	2571
Glutamic acid	1145938	813168	940391	1265280	784556	1002618	1173273	707324	960763	1189580	1376261	1091537	1033090	1077232	872304	965676	1227163	1047273	802815	1640711	1621655	1628973	1716916	1265861	1459439	1715737	1634072	1577929	1631040	1675941	1944683	1696201	2100097	2154968	1890706	1629963	2114328	1654991	2396687	2162597	2779506	2414236	2429723	2650498	1942174	2520984	2464173	2921386	2217642	2133275	2687621	2576666	2153512	2098061	2052202	785065	511526	491972	615144	501069	369188	411994	544356	550434	682088	490890	598751	651866	584336	527975	563138	594650	727940	2687205	2279240	2302058	2507263	1979772	2170711	2714346	1975503	1977898	2871335	2616601	2618373	2640345	2668054	2329045	2317115	2372487	2166367	2638039	1544031	1774235	1647677	1950639	1552309	1605742	1521096	2175499	1698284	1663508	1512919	1927061	2077982	1892241	1579161	1358762	1453836
Glutamine	53481	104240	77604	58964	61756	79741	54521	71267	65853	67703	47268	107724	95082	77158	114066	67323	135192	112996	87675	33156	39749	35243	34641	37604	35721	34975	38283	36194	36286	51641	37168	35349	38567	37656	40359	40083	45289	41714	21882	28279	24247	30207	25118	27073	23120	25532	27040	25355	28613	24277	18807	23487	23106	22215	25191	19281	19761	20740	19823	19758	16244	17408	17780	19458	19458	27017	18019	19147	19215	21955	21436	22430	23160	31623	29545	21799	28800	29794	24654	32184	27452	25469	35067	39240	35292	28638	33624	38847	31395	34005	31178	38410	69238	70490	67984	71176	74140	59078	69687	63963	72791	103970	66783	65272	67808	59967	57804	60148	72335
Glutathione	4781171	4605943	4453034	4924936	3974761	4798295	4200016	4326589	3990638	4013170	4648570	4373997	4355804	4603620	4463426	5126998	4949838	4774883	4178515	936127	825994	704660	941358	637121	1181739	770273	1184186	1026323	873802	1265074	1106251	882788	1189993	1756727	1036130	1768949	2012361	1187399	1340664	1783786	1803237	1353247	1890111	1693814	1476320	1710519	1441066	2322597	2130739	1667426	1981704	2519657	2449407	2367045	2013707	1459862	1286989	1279020	1365582	1305256	1168073	1269383	1202204	1271991	1256954	1389983	1112049	1326983	1381113	1360296	1192613	1203740	1161767	11886	9706	13316	14200	9100	38191	18803	19023	27808	15744	11374	16935	31325	26662	18723	16491	68447	69442	17752	960942	556971	1106591	1058556	1008740	515912	764510	529136	776377	849273	1055524	955939	954112	711955	1393721	593592	920557
Glyceric acid	514	1783	1297	1712	1006	1992	753	5502	665	694	1723	788	982	1074	1052	1571	1762	3401	2880	1318	1701	1512	2193	1975	1407	1982	2516	1486	985	1757	1275	1674	1880	2051	2623	2278	4614	3230	8985	8381	12450	15415	17398	16308	9409	12533	11641	10170	9351	7894	8034	9644	8647	6604	9214	443	566	614	1940	916	566	821	1098	499	757	1347	674	817	723	999	957	863	1747	9262	5742	4071	6812	9935	6518	6544	4446	3453	3290	4771	1969	3610	1723	2878	6302	4192	5082	3547	374	581	430	398	967	667	564	1030	523	423	539	410	363	604	929	2171	697
Glycine	1825	1450	2064	1792	1460	1908	1224	1318	1323	1434	1687	1647	1346	1814	1867	1411	1641	1598	1499	5428	5588	5405	5356	5465	6819	6131	4838	4726	6862	6091	7237	6452	7801	6685	7494	5758	6462	6209	2701	2751	2549	2705	3027	4061	3290	2832	2442	3092	4222	2683	2883	2964	2827	2343	2278	1403	1253	2311	1392	1586	2037	1288	1515	1513	1638	2238	1772	1684	2423	2186	1714	1386	1586	5369	5775	6109	6099	6229	5065	6402	5825	5161	6879	7660	7951	5338	6694	5836	5835	5294	4966	5036	659	417	310	281	405	316	481	261	393	468	292	495	208	482	1052	505	449
Guanine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1189	1326	1332	793	1535	1002	1385	1116	725	1384	534	1314	784	1270	1431	1272	2428	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	856	1057	587	843	1315	753	977	1076	916	3828	822	1805	1025	1318	1904	1813	1392	707	1898	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Histidine	10188	13343	10208	12895	11245	10647	12344	7121	10529	9535	9717	13074	12710	11820	12277	11259	12878	10774	11211	1361	1786	1793	1569	1991	1357	2134	1105	1647	1203	1859	1400	1420	1497	2198	1373	1673	1912	2037	3438	4184	4151	4986	4479	4447	5038	3815	4169	4241	5264	3391	3851	3935	4833	4493	4017	3190	3525	3703	4252	3057	2497	3401	2917	3785	2906	4333	2631	3446	3114	3261	2966	3839	2675	5119	4653	4129	5379	4840	5518	4960	4336	3932	5395	5970	4943	3403	5096	4823	5349	6316	4889	5984	4039	4417	4601	4115	4480	4530	4226	3416	3945	6796	4387	4478	4261	4790	3729	3434	4861
Homocitric acid	5680	6638	6282	8134	5617	6541	4683	6505	7024	6500	6390	6346	5961	6237	6682	5570	5922	5934	4611	4541	3748	3029	4395	3295	3541	3779	3377	2946	3431	5295	3943	4015	3631	5111	3874	4128	6086	4917	6608	6287	7631	7155	7149	5396	4680	7110	6540	8000	16718	9578	9803	8936	9006	11355	8871	2757	2869	3272	5665	1951	1956	2569	1810	2185	2556	4051	1991	3018	1589	2152	1989	2662	4281	26225	12751	15934	24568	16178	23499	18826	9914	13402	31748	7782	16480	14663	21321	20980	15482	21837	22525	24229	11167	10168	11305	10873	8328	8612	9099	10309	9378	16097	8390	13052	11428	12223	9661	7100	7336
Hypoxanthine	252898	317205	273503	303341	181030	234146	208523	202487	214077	260829	209363	227245	238365	244454	235641	300928	212116	280261	216936	353198	402991	383899	330979	305271	406611	445675	260904	439080	291027	313775	518048	366964	394800	291120	383488	317332	349057	333951	1197002	1520153	1676679	1304837	1928601	1481653	1423046	1297796	1334266	1028883	1048827	1436338	1161844	1175058	1234248	1174597	1163530	22011	18043	38153	24813	29774	41254	41812	20476	35613	14965	27504	11875	14629	14122	19013	14263	33658	18498	945052	719082	615902	770299	1030184	632345	862692	653118	657730	865049	898349	834089	820850	717933	977628	658846	704175	514258	809836	286232	298810	296200	256525	364477	318905	317039	324929	249732	324226	304889	301392	306688	275922	368816	300842	318792
IDP	155	91	315	6	56	164	211	115	201	183	121	114	79	138	304	200	90	171	67	359	332	142	230	217	497	217	466	152	343	204	376	448	310	271	319	349	192	300	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	3440	3338	3785	3057	3559	3341	3736	2404	3581	2617	3346	1865	3542	3494	3692	3443	2558	3049	386	324	360	308	444	171	218	140	210	420	372	442	186	464	585	236	267	130	667	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
IMP	276045	225764	196694	236898	157051	201033	149585	224495	253770	143793	193516	334029	171234	414171	257097	230547	221813	210036	450522	448933	410388	367426	319808	448140	481771	129123	645070	128822	391793	424287	495694	446206	681611	599462	477511	386779	418878	470581	107266	61519	23760	45690	46911	47728	38794	68606	23482	507531	454340	207574	312313	348908	169575	210230	289800	1540754	1515879	1548275	1536180	1578568	1517615	1499438	1494542	1492725	1526375	1493676	1438544	1545131	1537828	1492043	1460273	1444835	1454554	14783	41762	45422	33097	12541	39340	77593	26255	37466	105304	43728	116133	63638	159752	119309	49090	78748	69455	84112	685118	612243	695669	807695	400369	218605	760009	274394	657611	751705	710204	506839	894484	450222	562226	323839	731805
Isoleucine	5342	4561	5162	4998	3606	6237	4334	5124	4324	4028	5090	4869	4279	4588	4512	4708	4016	4905	4328	1492	1939	1973	2265	1883	1769	1987	1736	1429	1315	2206	1658	2154	2003	2333	1828	1572	2662	1526	2411	3802	3743	4620	5047	3506	3850	3245	3463	3428	4017	2411	2934	3208	3089	4578	3040	899	1336	1071	960	1261	1197	1152	953	1165	883	1086	683	1016	720	1206	1033	762	1163	3648	3413	3028	3639	3818	3349	3691	3051	2362	3445	3539	3217	2975	3448	4321	2318	3623	3129	4075	1295	1523	1398	1474	1416	1288	1283	972	822	998	1097	1259	1057	1247	1458	1108	1216
Isopentyl acetate	20901	8856	16630	13106	10580	11005	10548	29837	9573	13570	19957	15791	12013	16819	17318	14054	23732	12423	23446	72255	67237	61542	74398	60836	76801	77808	67889	68157	81286	82388	76966	70599	75131	63537	63044	75478	76898	72266	34947	32252	43556	37110	43623	34208	17690	43430	46061	32644	48533	37048	53087	45687	32367	41363	48650	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	49958	40994	54549	56457	46402	47484	57170	39649	38172	44350	42212	42687	47101	37341	45634	43179	46794	63140	44181	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Itaconic acid	9513	8170	19924	78645	28207	6901	9449	23999	15542	4400	26635	9933	9716	14656	19345	14102	17185	11047	14330	8624	5277	6684	12103	7603	7761	7317	7534	7940	8411	9141	4267	4447	6561	10340	5654	4925	6378	6148	19154	20736	34454	58962	21881	21539	30615	26407	30728	16653	24778	31094	13822	14998	13074	14774	19075	2549	1612	1897	2301	1174	1747	1730	2153	1884	2102	1319	955	2127	1682	1327	1428	2478	2978	4437	1939	3100	7727	3485	2736	3559	4069	2010	2170	2978	3119	3733	3096	4123	3051	3001	2620	3695	2971	3839	3532	2632	2479	2733	2607	3026	2799	2947	2744	3708	3347	3528	5483	3058	3298
Ketoleucine	9487	8218	19998	79190	28032	6866	9516	24002	15650	4509	26765	10047	9694	14756	19503	14035	17150	11096	14443	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	19195	20508	34603	58997	22079	20975	29981	26039	30866	16634	24835	31285	13824	14467	13146	14693	18996	2623	1788	1988	2347	1337	1793	1767	2275	1871	2167	1584	990	2172	1746	1961	1544	2532	3066	4281	2118	3099	7811	3069	2771	3553	4147	1970	2139	3084	3099	3761	3204	4087	3123	2969	2889	3694	2995	3481	3576	2500	2463	2730	2580	3040	2846	2954	2864	3780	3388	3552	5446	3021	3385
Ketovaleric acid	72067	55619	81145	94586	50351	46386	80269	32810	69414	90320	91008	57546	73539	50439	69935	69031	105310	105609	44831	53645	64474	62513	47360	54486	66266	50235	57434	54624	58286	69246	63103	66688	71331	60319	58438	56324	70379	59984	65185	71341	79667	68502	78165	75421	64896	73426	71307	76197	76105	66440	75053	67729	75592	74949	69164	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	64916	45094	58752	50196	63312	44461	60073	47240	42395	42500	73483	37552	55460	42420	61310	37231	53577	57567	52362	21440	29078	19996	24281	24806	18435	24714	20402	24175	21253	18813	26987	28012	24623	21390	19222	21822
L-Arabinose	33101	46256	44664	48088	46664	50471	42305	40267	45627	42041	37079	46231	46140	39122	52011	39080	48630	46356	42865	6196	9492	8493	7466	7826	6571	6967	6905	7675	6537	8420	5975	6846	9383	6247	8387	7322	8233	8602	10531	8732	11991	10530	12822	9439	8766	9137	11213	8587	6613	5827	6754	6746	6762	6346	6415	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	12536	16525	10021	10594	10847	10328	6487	11994	8858	10726	8310	11688	10938	9462	9979	11293	11525	7219	11008	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Lactic acid	670001	584255	695068	790905	703905	692082	705743	198787	743145	600771	785039	784820	732752	684019	697817	721392	950704	708325	747772	450401	465883	478341	442493	78312	83437	435186	509599	452670	389237	455071	344459	467163	385919	441204	392616	424244	514269	350053	368310	113253	475553	461497	79227	419974	92014	426119	487787	410114	121921	74146	433990	393477	128456	143866	104649	871536	881797	915825	1022849	973109	1287963	983248	881062	907960	461026	986677	897568	971213	904822	941934	515583	984398	861224	570872	593155	571012	615318	46748	576388	526745	437272	499273	607835	667791	565873	583839	549220	222964	531638	627902	578038	564136	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Leucine	955	964	1151	809	759	771	316	765	715	603	961	1110	1077	876	902	899	638	604	783	531	352	538	473	368	582	584	565	501	338	422	465	372	419	569	379	437	580	307	766	832	931	952	899	676	670	638	689	826	883	618	682	713	911	737	778	170	167	257	285	289	213	297	401	371	245	298	340	495	226	347	180	216	346	850	831	498	711	692	495	616	671	428	632	504	498	631	724	691	448	726	604	760	155	567	385	327	307	358	358	455	332	339	308	208	229	340	447	415	250
Maleic acid	10184	6871	7659	10774	8252	7904	5485	6624	10728	7591	6044	5738	4083	6692	5644	5364	6053	6342	6622	12791	7089	6520	7392	7185	7991	7344	8948	7360	6744	8073	6971	7538	8339	6832	7168	7085	6227	6418	9613	6436	7017	7419	14689	9973	9094	7037	9629	7110	6215	7254	5576	7523	9237	5406	5647	7044	5548	5422	6861	4250	6652	5006	6527	7927	4791	5509	4960	5525	4633	7337	5618	4243	5982	7599	7510	6460	6752	5062	5319	5824	6697	7433	6116	7733	5196	6201	7532	7528	5018	6105	6250	5662	992	1304	1362	1027	888	907	951	1215	1243	1261	1077	914	803	837	1141	1090	1080
Malic acid	3523958	2753212	4268835	5050147	2481133	2234651	3955630	1544058	3269386	4715066	4720696	2937061	3636881	2571176	3475745	3649300	5572560	5409006	2129087	2940235	3139458	3168189	2913371	2775968	3308041	2894555	3121509	2799222	3025751	3417055	3204597	3452367	3536143	3258457	3366575	3201910	3807629	3406722	3349783	3986365	4301083	3494456	4256348	4318215	3236847	3844702	3600253	3831280	3849938	3440226	3745877	3821269	3937031	3989090	3623736	3448324	3552677	3548146	3646591	2838934	2577912	2769372	2014333	3919219	4132472	3210779	2420926	3968058	2087094	2883903	3346135	4325973	3178452	3246238	2379691	3147709	2756823	3333028	2182246	3202934	2590012	2112562	2205146	3766564	1965747	2739024	2005770	3130528	2075835	2712854	3073607	2611083	6283708	7444772	6298401	7042556	6431188	5191124	5895976	6157575	6187708	7332225	6039906	7236696	7622667	6071515	5697777	4786304	5933934
Malonic acid	42602	50681	59423	56306	38186	43825	38161	54169	40213	46166	44355	39440	44783	51582	57827	54190	73217	61111	46678	47100	41950	44961	44684	47390	43292	48232	47894	40046	47558	48617	47998	49000	47494	58761	47570	48075	54878	45881	43200	38617	42038	50082	49691	46738	41630	43517	39816	43227	47466	49785	40838	42183	38905	40529	46656	45464	41512	50405	48270	47555	44838	52222	47732	44613	41779	38719	48232	37053	36550	44725	52895	35900	40774	57399	54114	64199	60383	63008	43679	78498	55494	51803	80068	75405	59497	65672	58716	72136	53245	56167	65309	61811	58284	41695	59989	47161	64951	43416	63533	48502	49952	42026	44002	48975	49513	50788	60174	40996	48121
Maltose	52710	57752	50973	39503	39070	54806	56135	39514	35215	36380	40837	48456	55638	42076	60233	39631	67485	51042	38841	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2719	2391	2282	2958	2096	1850	1976	1844	2619	2632	2443	943	1304	1325	1421	1326	1939	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Methionine	185220	149776	164732	157573	122501	177779	154337	143016	146591	140704	154821	137714	149778	138536	145846	155998	147626	175082	130251	65904	72255	83730	92537	74090	73312	81479	71504	53562	56890	74556	71791	64934	75724	98841	79879	77228	109957	68346	154046	255562	276607	284084	302536	284014	225345	192249	209233	232168	215672	182985	211587	181846	245410	226712	217220	46035	50160	60811	60146	50914	64811	62518	52311	46667	54647	51866	41975	54224	51438	67772	66879	58703	52818	184499	214442	186351	233207	148166	190509	167820	158169	161794	169078	204587	213964	227981	184760	229176	182497	229108	208032	233513	53793	65864	77158	73806	68826	62663	62793	47453	49695	67769	59218	62037	58724	74029	88254	77254	68340
Mevalonic acid	1752	459	1666	1876	738	390	1156	499	871	1652	1875	900	1041	771	1224	933	2932	1865	567	2012	2546	1624	1908	1680	1962	1915	2069	1801	2410	2337	1581	2776	2400	1965	2605	2011	2596	2039	3605	3266	3088	2684	4113	4554	2796	3986	3024	2997	4117	3623	2669	3526	3246	3525	2716	4100	3988	4217	5787	4094	2620	3432	2524	4958	4837	4765	2611	4916	3641	4929	5645	6181	4403	4442	3330	4558	3850	3479	3316	4498	3184	3298	1880	5992	2544	3829	2842	3837	3105	4585	5136	3725	13207	20488	17770	18443	12991	11642	11196	18912	7653	26881	9502	19477	22004	16674	9577	10083	12257
N-Acetyl-Asp-Glu	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	19054	7509	32031	41332	34737	2892	3301	49760	6501	2426	38648	5615	38668	12443	8517	42092	3655	36822	47584	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	53126	51433	35644	30254	29980	41864	26405	27067	50258	88858	55728	35534	58363	38794	38495	45636	48923	85038	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2784	2530	1290	4226	2259	10986	4056	8396	3114	1426	1660	2363	1781	29030	4905	33242	8135
N-Acetylaspartic acid	10091	9858	7966	11011	5294	7000	6423	7654	11108	11177	18429	8439	5393	9887	8459	10994	8226	19253	14333	62151	45433	55724	51910	43596	49198	35163	86430	62407	52041	76545	52182	68202	95442	292372	60612	61208	191342	90448	159835	177043	198204	152800	227445	173298	147697	186789	179367	230213	219854	227622	243108	204855	249305	268890	244484	80361	67510	32276	32263	18085	27490	15747	19220	53947	63940	31602	21475	85035	21861	23324	31597	41703	82839	10598	6572	13136	15912	7476	10112	10378	7380	9007	12721	9172	5697	11533	10724	17843	9209	14633	22562	14151	37173	72036	32765	38321	46531	75622	75915	124037	33259	93086	56959	78417	79935	133548	255448	141982	51464
N-Acetylglucosamine phosphate	8354	10748	8432	6964	6887	7055	6334	10202	7444	6455	8737	7501	6417	8068	7591	6911	8147	8145	9076	19743	18186	17935	16786	18681	19383	18270	15043	18751	16914	18136	28042	19672	25773	14719	19367	13935	13917	16488	30366	38431	53480	33686	36809	33055	27669	33660	40724	24219	23061	26384	23974	16664	17969	15578	19469	3451	2790	3706	2776	2800	2229	5039	2161	2469	2569	3972	2151	1889	3076	3343	2281	2159	3439	125495	82692	71586	95826	97068	73466	109878	59899	66582	101152	84879	70946	75946	75622	84425	52076	71256	41562	70991	7365	8857	8390	7613	7768	9169	7007	9525	9379	9825	9900	11143	8493	8556	13350	8629	6283
N-Acetylglutamic acid	307769	286539	374658	341521	148175	268515	351945	261677	172944	232646	391805	204249	328252	241015	306281	333903	650053	441079	186310	6458	4607	5884	6878	4945	4176	7526	7804	4502	5278	5657	4543	4997	5581	8572	6809	9336	18512	5015	16551	13118	17025	17051	14091	14861	9693	11893	8018	50408	44099	13151	16855	16559	29930	12920	14007	4684	4227	4245	4923	5328	3550	2848	2835	3396	3788	2816	1967	3414	2585	2739	3547	3165	6819	19169	7593	15264	26536	8367	22486	18784	13987	15433	12393	6994	13140	17358	12123	12685	18062	28352	29735	11022	1712	2401	1613	2175	3042	3707	2137	1949	1596	2616	1468	2317	2010	3783	12741	7389	2546
N-Acetylneuraminic acid	9785	8689	8483	7259	5804	9444	8873	8865	7813	8130	11172	6261	6138	8385	9325	9982	9426	10107	6036	24309	18899	22900	22423	16353	22563	21257	20435	20191	21849	23731	27800	18565	25445	19806	21392	22653	22973	19342	12096	8783	14256	12629	8967	13196	8381	9926	9642	15782	13283	9842	11180	12649	13539	11840	10309	3272	3143	3404	2949	2500	2325	2430	2484	2962	2870	3238	1940	3007	2185	2009	2684	2071	2936	5576	4219	4521	5220	4150	4221	6049	3569	3366	4801	4746	4244	4711	4363	4880	3471	3890	4521	4473	6816	6899	6980	5538	8730	7101	6680	6768	4974	6876	6778	6197	6188	6136	10651	5767	5593
N-Carbamoylaspartic acid	5610	7186	5259	4046	2843	5828	4178	14134	3014	5207	6776	4714	5697	10204	7476	5349	4939	3963	8180	4784	3537	5792	7627	5378	10951	11755	7175	10704	7317	8087	6267	4900	11058	9835	9408	12090	13023	7699	4944	2029	6157	5768	17267	14457	10502	6512	5370	6830	6502	5114	6216	29905	4215	6079	3109	1115	888	1050	1449	386	1197	727	916	677	1368	2279	522	1416	408	1285	961	577	1584	6667	2334	4112	3849	3027	3754	4603	3122	2689	6908	2989	4132	5638	5099	5450	3780	4135	3998	4417	2076	2622	1313	2226	2948	3022	2875	4019	1597	1456	2137	1943	2871	2928	6528	3616	1385
NAD	27016	42158	31364	36647	30124	30942	26044	42839	23993	23143	29320	36879	28678	52713	42387	60398	88841	60326	76474	9007	6138	6944	10163	7462	10383	8602	14512	9123	7519	9006	10330	8967	14337	9533	9820	13473	17943	10491	1664	2712	2336	2500	1906	3983	1789	2324	1852	2706	2597	2375	2944	3748	3127	3091	3960	150026	125990	122390	96153	81550	116988	121937	112598	141726	163098	189306	103222	182571	137345	159984	125357	119620	132780	55551	37270	32839	40439	58941	39823	47044	41979	32265	72426	70149	46863	56614	58238	78141	52751	60509	43726	71456	64092	30231	71117	44077	106828	17980	69364	29585	63589	34620	42626	58938	49500	76918	48892	19503	48461
Nicotinic acid	4188	3893	3636	3834	2862	3430	2645	3179	2648	3564	1912	2926	3113	4243	2693	2785	1616	1800	1964	864	806	522	607	754	656	1158	2101	377	570	454	512	1771	846	293	1937	392	593	519	1082	185	314	188	620	198	251	425	331	293	336	649	234	220	322	272	470	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1110	1121	812	893	1093	971	858	820	627	942	783	858	947	795	769	1091	739	600	823	357	406	322	465	474	321	462	310	244	192	406	283	298	268	1749	381	530
Nicotinic acid mononucleotide	21586	16857	22225	19364	16611	18769	17161	17962	18404	20449	21902	22861	19005	23353	20468	19956	22692	20152	18167	9022	6574	7031	7332	8501	7555	5943	12709	3911	6590	8578	10227	7021	14100	9458	13077	9162	8499	8909	4648	3543	4090	6377	5416	3963	2878	4977	5170	4914	5934	4305	6271	9049	5447	4669	7179	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	25918	26004	24829	26315	27793	23467	28950	26616	23435	23881	29174	29819	30863	28287	26979	25791	27128	30624	29771	22860	12657	23163	20496	24269	12824	23495	18577	19740	18439	15518	20577	20870	18640	22095	16288	23178
Orotic acid	2332	2315	1224	2081	677	1311	1488	1549	1195	1956	3102	1716	1505	1846	2185	1383	1579	2091	2008	2088	1947	2196	2659	2159	2558	5459	2003	4667	2224	2040	3007	2076	2754	3097	2691	2258	2414	2601	7106	4700	9531	6881	15737	16288	10988	7141	6232	10165	8339	6090	7457	12506	5764	4443	4806	396	454	589	1008	213	223	355	634	331	228	721	448	371	648	298	470	253	1871	2994	2459	3888	4371	1834	2196	3393	2252	1852	3718	3570	4053	3508	2722	3201	1822	2614	4320	2854	635	899	624	784	756	855	797	1107	598	887	609	810	858	1005	2673	1276	699
Oxidized glutathione	788980	536476	640813	689894	581013	751848	712101	536414	678492	555744	621023	640835	544473	644511	580778	735653	606507	651958	472691	317881	328819	382512	359900	258733	380706	413414	345874	348719	370061	303739	442607	367931	462793	303097	407487	355488	353561	312843	428037	346518	542107	417670	581656	373558	424150	363614	445015	513061	472580	374480	465486	378881	334499	313046	240085	28320	20317	25080	26714	15632	15697	15331	16146	19150	26408	19566	9404	20235	17127	22725	19340	17739	24530	255	217	1031	1231	817	1834	527	1075	1023	378	622	601	816	685	564	1091	574	2373	365	118636	318023	146819	168201	162625	184582	208109	283300	96881	184571	112661	206795	192262	230129	137488	149210	119487
Pantothenic acid	85433	81702	78722	86105	46663	75868	58619	63071	77459	82400	110174	79300	70150	77202	73405	61894	83460	82428	80132	73691	67931	77077	93149	79981	82857	62360	86626	63722	59688	81918	92623	76492	80624	117658	84628	78590	125557	92063	127852	128605	150647	138937	163709	162770	116463	133020	117834	143912	115751	140803	133246	133095	124657	128762	129252	152942	117517	121966	133375	107293	107575	93642	102077	142629	106026	98026	95485	118938	95026	90456	117430	91297	128692	172751	117377	130749	171804	190130	177440	187019	122794	141396	171100	175565	188201	187435	143769	225100	157896	163557	199732	170355	324278	322990	385101	361111	345676	239438	319046	282906	347536	371160	366762	331900	314444	308150	298474	256430	363779
Phosphoenolpyruvic acid	430	759	1725	744	631	3231	1144	1076	812	584	649	137	1563	1038	2316	2355	1543	6576	433	2816	6678	4392	1561	5200	2842	1438	12480	2118	2207	4035	4825	6794	3732	1900	5416	6086	4321	7386	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	5376	12940	11850	125664	21197	13648	25544	19315	13139	27291	49794	10342	40877	16588	109292	54985	30521	87244	49896	20349	17719	20541	79027	10255	30383	24965	9290	9257	15154	3939	19212	3008	7657	8366	3104	5273	14776	1957	6533	2317	3426	3960	1239	3260	2572	1562	5445	1386	3777	3245	5049	2258	4497	4179
Phosphoethanolamine	22677	27715	22862	27899	17431	28319	23288	24922	25604	27215	39645	33900	26673	32740	30230	34914	30577	37541	29439	56803	59053	53930	62295	55835	79748	50145	57175	55094	51630	63195	80952	53374	62599	146154	72085	73317	94460	61606	198317	228553	248223	161262	230269	187883	229697	205808	176528	204597	240687	248996	236525	213139	243876	271759	191124	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	52944	46470	39369	49444	74292	41252	57274	40775	43648	56113	64828	61435	51404	61997	74834	33988	41766	37280	65542	5948	10340	2662	5733	6831	5295	5623	3432	5556	7097	8377	5571	7213	10309	75083	4841	9757
Proline	153	476	590	161	335	265	160	472	159	381	388	526	357	357	504	421	322	665	312	592	512	837	1074	714	539	954	834	519	838	1123	756	967	879	1350	982	644	1358	665	1005	1675	1680	1763	1409	1382	1515	1129	1695	1462	1756	1192	1551	1759	1295	1366	1023	570	364	545	544	421	307	817	362	365	420	1283	578	716	435	669	603	521	396	1160	1426	512	961	866	815	913	698	720	1013	814	956	767	971	825	1104	831	950	915	270	169	189	183	145	421	225	344	182	215	288	222	158	313	890	1000	234
Pyridoxal	3401	3098	2591	4224	1798	2792	1995	2951	2882	3325	2830	2450	2354	3937	1918	2552	2383	2730	2222	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2081	3111	2680	3594	3813	3217	2982	2108	1930	2357	3241	2331	1884	1404	2969	2031	2319	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	2232	1957	1424	1616	3146	1337	2951	2015	1071	1335	1148	1235	1371	1215	2116	1272	994	1194	1301	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Pyridoxal 5'-phosphate	3432	2682	3490	4191	4850	5072	3369	6573	3989	3954	5084	4345	4855	4426	4756	4553	4663	4621	3133	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	4080	4831	4571	4908	3789	4806	3681	3504	4184	4210	5022	1972	4585	4296	4639	3654	2715	4829	786	715	669	770	704	757	919	670	722	772	770	516	656	784	880	654	633	716	708	1401	1211	1380	1665	1274	799	1064	1429	976	1537	973	1013	1383	1541	974	857	1499
Pyruvic acid	17217	31537	35035	17354	29218	65363	10765	73822	18053	19046	25819	17147	29792	13634	41817	12277	28694	30462	67999	18814	27119	19499	15117	17663	20738	9868	55706	6525	10402	17611	14457	11447	16970	15011	14148	13696	22937	10656	9687	13101	13865	13844	11837	12948	6976	11323	12937	4705	7641	7741	7351	10460	5172	17216	10430	50563	81034	97854	177971	125146	101067	150125	93976	87515	137801	177183	108736	126583	119640	130704	150618	81938	95327	33782	35087	20586	24987	17311	23143	15325	18493	25198	21143	21566	12209	19527	11504	13769	18198	17655	13680	12290	5184	5342	6938	6730	6820	4968	6185	3558	6953	9366	5367	7256	6079	6257	12385	8212	8129
Quinolinic acid	1072	914	907	777	598	1295	1064	1391	629	582	224	883	774	428	511	569	1337	591	902	555	375	420	686	240	703	601	914	633	444	546	692	480	706	1236	548	594	747	829	7122	6168	9776	8328	7006	7356	5038	6595	7790	8288	8712	8235	8306	8642	9089	8542	9007	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Riboflavin	4872	5376	4251	5308	3556	4816	4776	3786	3381	4984	4560	4022	4291	4386	3767	5753	4676	5229	3661	687	534	989	605	545	629	618	1685	506	603	962	794	509	1439	825	621	1290	1179	498	1344	1727	2016	1809	2082	1678	1262	1422	1014	1365	1149	1080	1313	1020	1544	1806	1425	169	247	331	557	142	216	156	208	226	242	480	233	251	258	245	326	147	406	5700	3734	4065	4509	5106	2882	5274	3379	2919	4727	4781	2521	4586	3558	3932	3048	3201	2662	3259	1150	1146	1224	1223	1009	910	1099	1333	930	967	778	954	1214	759	1272	1355	753
S-Adenosylhomocysteine	39365	40668	44654	40960	37984	41632	42094	37004	36948	30947	56017	42619	49890	42842	42111	61438	34479	41667	33908	21435	17880	20633	19174	13747	13415	22846	16339	17019	16221	26737	20275	16193	23217	14834	20687	17578	18615	16071	8201	7173	8914	8450	10846	10533	8449	7016	8065	10003	7075	6596	6728	5598	5546	3880	4502	5610	5255	5283	5234	4787	4084	4505	3878	4525	4189	3238	4015	4996	4907	4271	3588	5104	3676	32280	22138	28650	34426	38432	31629	34687	24241	24746	37316	33809	25171	42638	30571	41252	28733	25019	30447	36592	4474	5058	3931	4353	5522	5843	5523	7384	4844	5384	5284	4379	5549	3897	4308	5760	3885
Salicylic acid	3617	4537	4987	7243	4529	3532	3268	5596	4608	3924	3337	4138	3613	3441	3293	3423	4309	3956	3936	7988	4040	3461	3835	3805	4168	3616	4276	4143	4024	4312	3966	4071	4601	3549	3683	3829	4185	8888	3949	3741	4018	3307	4336	3290	3344	3605	3696	3613	3344	4018	3062	3864	4299	3178	3448	4523	3776	4414	4264	4013	4179	4068	3550	3945	3979	3906	3800	3597	3545	3987	3844	3539	3929	4324	3894	3880	4274	4145	3008	3820	3142	3640	3353	4360	3506	4087	3600	4199	4156	4006	4284	3716	3685	4190	5970	3892	4072	4377	3640	4144	4235	4022	3389	4232	3522	3619	4652	5358	4077
Sedoheptulose 7-phosphate	135393	170524	136960	123932	103370	86788	64871	203403	117689	119576	118710	134136	102416	200345	154132	152918	155967	128051	291513	243084	233457	241677	226532	169104	252845	293687	198302	366553	168395	203270	298090	198277	265627	196167	249265	206495	226957	200257	276124	335933	342323	298638	457812	341649	325611	306959	341952	258278	197607	295073	302322	293648	316519	285508	256817	5195	4435	5963	3091	1686	4020	3486	2539	3881	4099	4137	2098	3472	2787	2303	3605	4154	7609	192869	149628	128662	154719	195042	139227	189459	124980	98802	183109	176475	129164	155854	179813	195257	132598	165417	121005	198209	41895	46634	41212	44430	41217	53551	42597	44217	43047	52229	53117	45709	44842	58050	78030	58704	43156
Serine	14093	13330	12265	8663	6147	9622	11438	7744	8258	12176	10524	12412	12788	10514	13754	8537	10595	10417	9181	13484	14267	16361	14193	15787	15264	16157	12863	12655	12780	17806	13838	14047	15202	17689	13875	14706	15778	14580	24883	29318	29017	32383	27644	30503	29346	25997	29206	26219	28417	22797	22224	21890	23487	21432	22669	3807	4608	5358	5300	5359	5543	5510	5782	4947	3969	7939	5016	5345	4637	6660	4881	5427	4591	33839	29912	23263	30439	28290	27435	31000	25879	23582	29669	30561	28565	24442	23351	29644	29099	32178	25809	31504	6897	7774	7928	7402	5220	6270	7071	6342	6778	9051	6880	9000	6799	9478	8979	7187	7170
sn-Glycero-3-phosphate	4652036	4313054	4550196	3768742	1696242	3484214	2553168	2907050	2299268	3561797	5246382	5543581	3506416	5190055	3378055	5092452	5294473	3904785	3317995	418885	308571	319509	322120	361280	313466	227041	570075	166527	280353	398286	474886	331349	806940	383025	575884	412240	419115	399910	188087	151384	200713	269314	238055	166119	122372	220033	250167	243926	256115	192112	226964	418014	259580	214241	290684	29721	25554	25648	70291	32464	33636	28668	29527	182419	39192	42492	21777	107292	55315	260196	51529	133151	145845	2575799	2440368	3269300	3006718	3614378	1811188	4045735	2201030	1868868	3921844	3256554	2922839	3955709	4196556	3971716	2518256	2511503	3699694	4231774	2041452	1084232	2250520	1672784	2391237	755322	2280156	1081517	1822067	1848558	1283243	1779138	1536737	1523029	1615372	1007535	1987874
Sphinganine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	1307	1010	1467	1387	1065	1615	1290	995	1238	1252	1034	1882	1289	2074	1066	1110	1032	1233	1440	2363	1900	3021	1980	2645	2251	2194	2356	2415	1526	1823	1620	1690	1553	1154	1248	1330	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	7747	5245	4714	6213	7229	5085	7878	4494	5151	7619	5756	5094	5496	5501	6125	3061	4478	2556	4674	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
Succinic acid	809791	1857384	2350793	1773418	852319	677460	852200	1512279	874135	1342616	1650992	1187582	1543632	1381528	2142521	2207509	4083116	2967933	1904545	176278	203182	183465	171663	181524	217327	130650	320620	142216	156462	199539	152852	162224	173062	245124	209755	218888	445944	208007	109849	121040	109708	142143	134889	136697	110549	119845	131884	118340	168113	117346	128030	187418	116952	180965	145121	233134	212831	255216	794847	274617	394507	360935	470979	597082	412398	1125401	182150	553240	372785	613266	278698	608573	738086	1481322	1168368	1927378	1639123	1819570	1022883	1931645	1512772	1195612	1941276	2289191	1491366	1939721	1902398	2534472	1236296	1411987	2368462	1943607	2487082	1071948	2564297	1957914	2655049	476973	2462475	1124219	1180259	839291	1409389	1660623	1193892	1887039	725975	585347	1991646
Taurine	1731614	1885460	2210826	2150056	2037361	2064925	1593278	2132057	2107020	1844511	1793794	1989172	1891709	1988113	1661437	2263863	2013360	2112190	2183141	1697449	1728330	1717213	1701294	1639289	1651592	1617889	1779767	1723978	1497221	1656380	1766555	1651292	1885616	1645900	1765618	1704515	1801224	1719780	1807069	1757099	1837903	1808156	1879662	1782178	1695699	1783954	1825732	1813616	1760881	1752951	1825357	1873609	1728773	1699232	1740166	1841600	1734731	1804893	1839556	1872989	1878162	1847231	1902952	1819862	1855564	1816161	1847888	2011322	1901922	1884153	1913142	1945788	1978510	1679266	1589694	1390221	1518407	1615740	1371230	1539570	1496141	1491038	1599618	1372444	1596234	1545686	1574930	1591012	1370079	1487123	1341429	1560265	2589826	2583694	2622716	2642607	2554817	2231882	2493452	2614386	2511507	2474101	2567165	2540831	2616859	2248262	2327202	2271511	2571841
Taurocholic acid	1018563	586941	146598	381109	83811	407518	950613	756620	596961	1780115	943056	179076	484685	669619	265300	334543	981568	1274607	1772159	237819	42119	4985	16597	7065	1808	718113	3804329	87240	17538	118479	4622	50968	2520322	3126	127951	2480268	7394	16113	5659	1130	12006	998	1419	418	242030	133257	2458	969	51319	2856	393	22287	246972	799	10362	7423	7492	5543	708	525	1810	10171	229369	1206	14473	20872	365	4766	21620	2321	20838	413	4672	2209	932	1096	523	4173	618	8614	380603	1354	279589	55845	370	867	18239	3730	7863	31245	1352	3961	20161	7237	1804	1975	390	275239	617926	7454	4637	19037	1021	16746	593125	2006	35386	1658635	3968
Thiamine	18875	20952	14744	18370	14117	20247	13090	11969	10637	17188	14685	19264	18156	19755	18058	16915	15734	14590	16472	1208	2173	1986	973	819	1864	739	1086	421	1510	1170	2069	1464	1137	2465	995	617	1401	856	6856	8137	8223	6421	6058	6073	4704	7388	5591	7182	5979	6886	8107	7669	4729	5502	6086	585	497	374	560	317	415	339	497	537	387	440	478	414	377	385	393	285	699	12050	9575	8313	8703	13932	6709	11946	7983	6504	15685	12360	11247	10069	8044	10920	7529	7944	6457	10642	1757	1994	1920	1988	1805	1229	1913	967	2075	2249	2327	1833	1415	1387	3372	1101	2464
Threonine	12874	14696	12616	9334	6665	9814	9789	10680	8793	8758	11498	11445	15259	10886	12840	9740	10956	10556	9283	24888	26536	31209	26381	24863	29865	31062	25281	19730	24067	26326	25331	27607	25670	33696	25663	27855	32069	23575	32260	38382	44116	40408	35909	44990	40044	37204	30871	36487	38012	30111	34968	35796	36600	32372	27291	14604	15875	17665	14761	14434	19940	19838	17579	12138	16525	15821	14503	18387	15351	18989	17263	15749	15655	39660	35968	32819	37639	35611	35087	42980	32850	26183	38123	36142	34122	34746	28208	36663	34047	38898	36266	34997	19812	22585	22028	19423	24432	20675	22745	17320	17697	16196	21159	16902	20196	22463	24889	24891	19576
Thymine	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	949	1697	1303	990	2050	1362	1603	1073	878	1414	2783	1787	1114	1776	2513	2295	1595	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA
trans-4-Hydroxyproline	159	107	97	145	40	86	204	112	78	190	294	230	275	210	248	267	355	318	105	875	415	802	688	353	481	696	680	450	1407	1404	1313	1170	1235	1546	1402	1108	1715	1287	403	470	583	469	458	587	631	354	471	1692	556	726	887	1354	882	794	788	891	715	1208	978	609	960	1229	745	342	2367	2474	1873	1529	2398	2163	1521	1610	1413	453	561	305	561	710	703	602	719	421	1165	1426	1142	1204	1096	1467	1740	1943	1618	1110	297	262	315	125	150	272	211	194	477	285	561	685	840	686	930	775	800
Tryptophan	69174	63886	59041	63153	45379	75797	62416	54733	62338	56453	63876	66941	62394	73284	57135	71040	52419	58069	62991	45570	50050	43461	43031	42109	44647	50155	46622	35956	42237	55789	42126	49900	51254	49778	45407	41495	60028	44141	57487	71829	74090	73570	75310	69284	63019	59418	70222	69553	83501	59073	65826	61381	59397	68446	57764	25487	25709	23327	20085	23246	24482	26557	22201	24427	28566	49347	18452	29948	20811	30563	23617	27059	29879	77288	61107	47568	63291	60111	58993	67081	54299	45065	74398	82491	60254	68591	58208	73692	55184	62720	45417	66612	33329	42557	32015	31577	39220	34063	32359	30855	38479	52448	31407	40797	37380	42110	43412	37697	35583
Tyrosine	109612	102464	91296	101029	62790	105393	85343	95827	80353	72112	91606	97375	86562	90120	78179	85303	82561	84655	72321	39922	40479	44105	45973	44178	44326	42932	42919	29674	32527	56803	41860	43448	44245	49521	43011	41883	63190	35232	67253	90874	89246	92682	98023	87698	80656	69959	69729	86702	101856	75906	76366	70092	81752	84519	71666	35853	30961	36320	30644	32672	50919	34561	33618	30385	34886	56322	26637	41481	33190	36143	35777	38796	28995	92456	74332	60796	82918	85898	69453	81729	65935	55107	86482	89999	77658	74160	70740	101544	67837	83566	62636	82269	28966	29680	31449	26481	32836	28966	30003	19291	22920	39650	27228	32909	25664	31922	41915	32199	24859
UDP	1684	829	1649	945	435	1175	1733	668	1123	1221	1641	471	744	834	1110	1584	676	1057	215	741	654	597	438	470	985	645	976	372	450	651	680	290	592	694	580	710	480	373	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	NA	169	152	223	246	118	241	279	190	137	323	424	174	253	215	596	439	198	249	393	327	584	406	223	184	332	186	217	666	258	615	453	377	605	392	590	305	499	512	648	256	432	475	209	282	667	291	252	413	310	318	80	458	244	294
UDP-N-acetylglucosamine	18256	27972	20016	13959	9473	15816	10119	20651	9424	12735	26833	20468	12453	16656	14969	22088	15999	23203	23589	7360	4994	6441	6347	3617	7365	4713	6200	4618	6713	7513	7608	5335	9576	12487	5438	7436	10034	5790	11390	12898	13586	9152	14066	14281	7062	12889	8493	19516	13238	10921	12049	11831	17398	12893	14710	1091	660	1034	868	598	438	1012	416	980	868	1181	639	802	567	637	1001	803	973	798	895	1073	609	607	412	1445	248	765	3450	1375	2754	1718	3192	2549	743	2106	2093	2785	1917	2141	2150	2796	1782	1760	2201	1605	3072	2846	2477	2068	2264	2133	6666	1927	2190
UMP	788258	661060	624697	829989	539626	680512	784843	776606	784100	729868	789494	780384	666992	867120	690420	816672	912741	806973	820160	303597	212632	219627	315156	251663	341840	261858	253031	279830	318962	353331	374306	219311	477298	584522	359181	394274	511129	297872	115719	90406	94156	105827	108317	128039	89567	80430	72778	407911	267380	138198	145444	142802	164439	149412	137253	187804	164209	171023	147209	127929	156678	145241	137602	148198	202535	175814	126964	172995	168828	156992	175576	150881	164945	15115	33169	33793	30591	11931	29019	43051	23643	43632	100936	41145	105618	59165	159919	112051	41131	121924	71055	100382	45140	64122	46814	63798	38518	36143	53007	34986	46807	70490	36253	61747	57632	81017	235839	56051	57283
Uracil	13019	15059	20440	26798	10157	12365	19983	9524	16335	20744	22439	12596	13507	12853	13289	28297	16165	19419	13872	92340	102837	91296	73584	69106	108257	87188	85213	78645	73225	74417	117947	91825	100312	77748	78089	79074	98006	72132	101128	108167	131221	96422	134184	113890	96121	95283	99972	85228	87836	86108	81047	91012	64863	80841	70425	1743	2864	2278	1360	1006	1517	3025	1038	2833	2477	6373	1957	2390	934	2912	2131	2504	1855	255061	187398	168497	206985	254761	176493	242407	180440	188774	198484	224135	187654	202692	164499	220544	160950	163975	135166	188833	27525	24520	33119	33093	23981	23471	21870	23531	35660	30100	32358	29527	23374	26528	48555	15992	24818
Uric acid	40824	63467	85102	78639	43447	49529	44295	205059	33588	32109	31239	63937	58393	140688	176374	280788	335139	359973	335386	365659	483310	427945	389319	285463	438058	370548	466432	283792	314707	428745	355779	434131	315953	285595	326323	435806	688754	262438	106713	174664	285865	190308	206253	224871	147572	158890	243570	148461	203696	92588	218551	230843	152119	265096	134947	44790	63640	63743	36787	37436	33713	53034	31968	51738	37609	79720	36964	57035	28833	50760	41222	43039	49498	131407	148746	114947	151989	117972	178403	130818	132814	119011	114648	161141	97282	148129	114236	142184	121136	130886	159980	138625	39731	104530	40446	49978	51635	61850	58352	48996	40725	87386	53280	108918	57335	87224	148702	81833	46502
Uridine	696429	606373	585744	714655	487841	770080	789901	513540	551876	552844	540194	486956	521396	483266	473890	632555	650673	745619	448211	45814	52921	50634	35144	39912	58804	42734	59923	40829	26137	40197	53788	43496	42659	166971	44299	42820	142184	49136	549243	714710	740614	557826	957668	706432	651712	616134	612388	542296	579251	656834	612689	624088	767222	800487	626073	17188	13802	23421	16853	25237	21962	23659	10559	26288	11476	25864	17491	14730	10926	19615	14891	25686	13556	728649	366702	434400	548255	794044	476318	583406	414305	497104	735324	648940	692242	642713	644112	846425	492718	615523	375128	696502	143977	137613	118965	123791	197864	103278	165258	145316	130900	149985	151238	132728	148840	156782	267176	136356	143293
Xanthine	897859	1082384	936247	1062009	690406	1100341	743228	843557	726085	732179	858798	916754	871609	867565	869804	1027197	842717	1112751	804871	433767	524119	505596	405864	355730	505459	473548	368697	440384	335976	402231	550781	397576	504502	367008	426078	351023	430523	382259	681118	841159	1082573	791029	1158072	930757	838269	777897	835560	513922	537367	647249	596387	672740	654952	721283	587111	54101	47958	77819	61191	47751	72620	70527	40620	62374	37622	54638	28961	37055	34504	38897	34595	58458	41054	842687	573488	576597	737672	916472	657929	742427	609444	591948	686624	845868	588478	734512	523363	825807	574125	581774	529248	684550	278021	359814	303926	306470	356760	262568	317161	272840	242452	382079	267466	327134	311191	285612	380258	284271	307896
Xanthosine	630063	1078441	1147665	1279638	1039132	1606643	1086251	960461	964469	555003	924147	681811	1165497	588708	957853	1130279	1107036	1831535	697024	13917	23795	23779	17076	14504	17078	15150	13242	14437	9606	14354	13293	19736	10044	12736	24403	17581	54863	10846	10649	14308	27077	20983	25551	25670	21517	19263	20026	18062	26248	8871	16794	34954	30253	26596	12404	956	1407	2870	2377	872	1705	2591	1497	1773	826	3217	672	1199	812	2376	1023	1957	2397	56150	59829	53485	62077	78063	70977	56406	58647	50584	44871	76763	49888	74887	31966	76068	64987	58606	74796	62038	15914	33777	20949	22133	30907	22211	22613	24979	14374	28713	14936	29323	15746	29049	22201	33910	21885
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Exact mass	Pubchem CID	KEGG_ID	REFMET_ID
(S)-2-Methyl-1-butanol	88.0888	2723602		RM0156401
2-Deoxy-D-glucose 6-phosphate	244.0348	440992	C06369	RM0155888
2-Isopropylmalic acid	176.0685	5280523	C02504	RM0153706
2-Oxoglutaric acid	146.0215	51	C00026	RM0135911
2-Phosphoglyceric acid	185.9929	439278	C00631	RM0136217
"3',5' cyclic AMP"	329.0525	6076	C00575	RM0135874
"3',5' cyclic GMP"	345.0474	135398570	C00942	RM0159092
3-Hydroxybutyric acid	104.0473	441	C01089	RM0153056
3-Methyl pyruvic acid	102.0317	58	C00109	RM0153036
4-Hydroxy-L-glutamic acid	163.0481	439902	C03079	RM0132180
4-Pyridoxic acid	183.0532	6723	C00847	RM0030084
5'-Methylthioadenosine	297.0896	439176	C00170	RM0136067
5-Hydroxyindoleacetic acid	191.0582	1826	C05635	RM0135989
Acetoacetic acid	102.0317	96	C00164	RM0153222
Adenine	135.0545	190	C00147	RM0049281
Adenosine	267.0968	60961	C00212	RM0135870
Adenylsuccinic acid	463.074	447145	C03794	RM0137319
Allantoin	158.044	439714		RM0118303
Arabinose 5-phosphate	230.0192	188324	C01112	RM0156416
Arginine	174.1117	6322	C00062	RM0135963
Argininosuccinic acid	290.1226	16950	C03406	RM0135871
Asparagine	132.0535	6267	C00152	RM0135724
Aspartic acid	133.0375	5960	C00049	RM0135905
Carglumic acid	190.059	121396	C05829	RM0013709
Carnitine	161.1052	10917	C00487	RM0008606
CDP	403.0182	6132	C00112	RM0138946
cis-Aconitic acid	174.0164	643757	C00417	RM0021619
Citrulline	175.0957	9750	C00327	RM0136022
CMP	323.0519	6131	C00055	RM0138923
Coenzyme A	767.1152	87642	C00010	RM0157849
Creatine	131.0695	586	C00300	RM0135876
Creatinine	113.0589	137319715	C00791	RM0028430
Cystathionine	222.0674	439258	C02291	RM0135885
Cysteine	121.0198	5862	C00097	RM0129784
Cystine	240.0239	67678	C00491	RM0135906
Cytidine	243.0855	6175	C00475	RM0138922
dAMP	331.0682	12599	C00360	RM0156433
dCMP	307.0569	13945	C00239	RM0136074
Deoxyribose 5-phosphate	214.0242	45934311	C00673	RM0136032
dGDP	427.0294	135398595	C00361	RM0009096
dGMP	347.0631	135398597	C00362	RM0033451
dGTP	506.9958	135398599	C00286	RM0136101
Dihydroxyacetone phosphate	169.998	668	C00111	RM0115777
dTDP	402.0229	164628	C00363	RM0136085
FAD	785.1571	643975	C00016	RM0138943
"Fructose 1,6-bisphosphate"	339.9961	172313	C00354	RM0109018
gamma-Aminobutyric acid	103.0633	119	C00334	RM0153263
gamma-Glutamylcysteine	250.0623	123938	C00669	RM0136036
Gluconic acid	196.0583	10690	C00257	RM0155944
Glutamic acid	147.0532	33032	C00025	RM0135893
Glutamine	146.0691	5961	C00064	RM0012560
Glutathione	307.0838	124886	C00051	RM0135889
Glyceric acid	106.0266	439194	C00258	RM0135902
Glycine	75.032	750	C00037	RM0135888
Guanine	151.0494	135398634	C00242	RM0018303
Histidine	155.0695	6274	C00135	RM0129894
Homocitric acid	206.0427	439459	C01251	RM0136229
Hypoxanthine	136.0385	135398638	C00262	RM0135895
IDP	428.0134	135398651	C00104	RM0043289
IMP	348.0471	135398640	C00130	RM0000534
Isoleucine	131.0946	6306	C00407	RM0134975
Isopentyl acetate	130.0994	31276	C12296	RM0153402
Itaconic acid	130.0266	811	C00490	RM0152814
Ketoleucine	130.063	70	C00233	RM0135977
Ketovaleric acid	116.0473			RM0140424
L-Arabinose	150.0528	65550		RM0049956
Lactic acid	90.0317	107689	C00186	RM0135904
Leucine	131.0946	6106	C00123	RM0136379
Maleic acid	116.011	444266	C01384	RM0153373
Malic acid	134.0215	222656	C00149	RM0135894
Malonic acid	104.011	867	C00383	RM0153291
Maltose	342.1162	439186	C00208	RM0139031
Methionine	149.0511	6137	C00073	RM0161726
Mevalonic acid	148.0736	439230	C00418	RM0153668
N-Acetyl-Asp-Glu	304.0907	71120	C12270	RM0027165
N-Acetylaspartic acid	175.0481	65065	C01042	RM0136005
N-Acetylglucosamine phosphate	301.0563	440996	C00357	RM0155971
N-Acetylglutamic acid	189.0637	70914	C00624	RM0136738
N-Acetylneuraminic acid	309.106	445063	C19910	RM0135920
N-Carbamoylaspartic acid	176.0433	279		RM0128765
NAD	663.1091	5892	C00003	RM0133217
Nicotinic acid	123.032	938	C00253	RM0156700
Nicotinic acid mononucleotide	337.0563	53477721	C01185	RM0136059
Orotic acid	156.0171	967	C00295	RM0033030
Oxidized glutathione	612.152	65359	C00127	RM0139022
Pantothenic acid	219.1107	6613		RM0136730
Phosphoenolpyruvic acid	167.9824	1005	C00074	RM0060576
Phosphoethanolamine	141.0191	1015	C00346	RM0060581
Proline	115.0633	145742	C00148	RM0135899
Pyridoxal	167.0582	1050	C00250	RM0156676
Pyridoxal 5'-phosphate	247.0246	1051	C00018	RM0156781
Pyruvic acid	88.016	1060	C00022	RM0134967
Quinolinic acid	167.0219	1066	C03722	RM0135916
Riboflavin	376.1383	493570	C00255	RM0135919
S-Adenosylhomocysteine	384.1216	439155	C00021	RM0136025
Salicylic acid	138.0317	338	C00805	RM0136132
Sedoheptulose 7-phosphate	290.0403	165007	C05382	RM0155901
Serine	105.0426	5951	C00065	RM0032433
sn-Glycero-3-phosphate	172.0137	439162	C00093	RM0160118
Sphinganine	301.2981	91486	C00836	RM0135445
Succinic acid	118.0266	1110	C00042	RM0134982
Taurine	125.0147	1123	C00245	RM0118223
Taurocholic acid	515.2917	6675	C05122	RM0033602
Thiamine	265.1123	1130	C00378	RM0135917
Threonine	119.0582	6288	C00188	RM0135900
Thymine	126.0429	1135	C00178	RM0040235
trans-4-Hydroxyproline	131.0582	5810	C01157	RM0128618
Tryptophan	204.0899	6305	C00078	RM0136024
Tyrosine	181.0739	6057	C00082	RM0135896
UDP	404.0022	6031	C00015	RM0135932
UDP-N-acetylglucosamine	607.0816	445675	C00043	RM0133219
UMP	324.0359	6030	C00105	RM0135929
Uracil	112.0273	1174	C00106	RM0135934
Uric acid	168.0283	1175	C00366	RM0160856
Uridine	244.0695	6029	C00299	RM0135933
Xanthine	152.0334	1188	C00385	RM0135930
Xanthosine	284.0757	64959		RM0161017
METABOLITES_END
#END