#METABOLOMICS WORKBENCH zz_kl_bj_20171116_231625 DATATRACK_ID:1268 STUDY_ID:ST000903 ANALYSIS_ID:AN001469 PROJECT_ID:PR000627
VERSION             	1
CREATED_ON             	November 27, 2017, 10:58 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolomic changes of chronic stressed rats in response to albiflorin treatment
PR:PROJECT_SUMMARY               	Depression is a complex and multifactorial disorder with various co-morbid
PR:PROJECT_SUMMARY               	symptoms. Current pharmacotherapies are limited by slow onset, low efficacy, and
PR:PROJECT_SUMMARY               	distressing side effects. Natural products are a robust source of new drugs. To
PR:PROJECT_SUMMARY               	understand the mechanisms of action of albiflorin, we examined the changes in
PR:PROJECT_SUMMARY               	global patterns of metabolism in the hippocampus and plasma of chronic stressed
PR:PROJECT_SUMMARY               	rats after albiflorin treatment using metabolomics
PR:INSTITUTE                     	Beijing Wonner Biotech. Co. Ltd
PR:LAST_NAME                     	Zhang
PR:FIRST_NAME                    	Zuoguang
PR:ADDRESS                       	No.9, Kexing Road, Fengtai, Beijing, Beijing, 101111, China
PR:EMAIL                         	leekefeng@hotmail.com
PR:PHONE                         	86-10-65670787
#STUDY
ST:STUDY_TITLE                   	Pharmacometabolomic analysis of rat hippocampus and plasma in response to
ST:STUDY_TITLE                   	chronic stress and albiflorin treament
ST:STUDY_TYPE                    	Animal study
ST:STUDY_SUMMARY                 	Male Sprague-Dawley (SD) rats were exposed to one random stressor per day for 35
ST:STUDY_SUMMARY                 	d. Following four weeks of stress exposure, rats with stress-induced
ST:STUDY_SUMMARY                 	depression-like behaviors were treated daily with either saline, fluoxetine or
ST:STUDY_SUMMARY                 	albiflorin for 7 days via intragastric gavage. Rat heparinized plasma was
ST:STUDY_SUMMARY                 	collected after drug treatment. After behavior tests, rats were sacrificed and
ST:STUDY_SUMMARY                 	the hippocampus was collected. Pharmacometabolomic analysis was conducted for
ST:STUDY_SUMMARY                 	both plasma and hippocampal samples
ST:INSTITUTE                     	Beijing Woner Biotech Co. Ltd
ST:LAST_NAME                     	Zhang
ST:FIRST_NAME                    	Zuoguang
ST:ADDRESS                       	No.9, Kexing Road, Fengtai, Beijing, Beijing, 101111, China
ST:EMAIL                         	leekefeng@hotmail.com
ST:PHONE                         	86-10-65670787
ST:NUM_GROUPS                    	4
ST:STUDY_COMMENTS                	Animal study
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
SU:GENOTYPE_STRAIN               	Sprague-Dawley
SU:WEIGHT_OR_WEIGHT_RANGE        	180-220 g
SU:GENDER                        	Male
SU:ANIMAL_ANIMAL_SUPPLIER        	Beijing Huafukang Bioscience
SU:ANIMAL_LIGHT_CYCLE            	12:12 light-dark cycle
SU:ANIMAL_FEED                   	Standard food
SU:ANIMAL_WATER                  	Free access to food and water
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	Beta_7_11	Genotype:Wild-type | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_7_12	Genotype:Wild-type | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_7_13	Genotype:Wild-type | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_7_15	Genotype:Wild-type | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_7_3	Genotype:Wild-type | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_7_4	Genotype:Wild-type | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_7_7	Genotype:Wild-type | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_7_8	Genotype:Wild-type | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_8_1	Genotype:CUMS model | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_8_2	Genotype:CUMS model | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_8_3	Genotype:CUMS model | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_8_4	Genotype:CUMS model | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_8_5	Genotype:CUMS model | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_8_6	Genotype:CUMS model | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_8_7	Genotype:CUMS model | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_8_8	Genotype:CUMS model | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_8_9	Genotype:CUMS model | Treatment:Saline	
SUBJECT_SAMPLE_FACTORS           	-	Beta_9_1	Genotype:CUMS model | Treatment:Fluoxetine	
SUBJECT_SAMPLE_FACTORS           	-	Beta_9_2	Genotype:CUMS model | Treatment:Fluoxetine	
SUBJECT_SAMPLE_FACTORS           	-	Beta_9_3	Genotype:CUMS model | Treatment:Fluoxetine	
SUBJECT_SAMPLE_FACTORS           	-	Beta_9_4	Genotype:CUMS model | Treatment:Fluoxetine	
SUBJECT_SAMPLE_FACTORS           	-	Beta_9_5	Genotype:CUMS model | Treatment:Fluoxetine	
SUBJECT_SAMPLE_FACTORS           	-	Beta_9_6	Genotype:CUMS model | Treatment:Fluoxetine	
SUBJECT_SAMPLE_FACTORS           	-	Beta_9_7	Genotype:CUMS model | Treatment:Fluoxetine	
SUBJECT_SAMPLE_FACTORS           	-	Beta_9_8	Genotype:CUMS model | Treatment:Fluoxetine	
SUBJECT_SAMPLE_FACTORS           	-	Beta_10_1	Genotype:CUMS model | Treatment:Albiflorin	
SUBJECT_SAMPLE_FACTORS           	-	Beta_10_2	Genotype:CUMS model | Treatment:Albiflorin	
SUBJECT_SAMPLE_FACTORS           	-	Beta_10_3	Genotype:CUMS model | Treatment:Albiflorin	
SUBJECT_SAMPLE_FACTORS           	-	Beta_10_4	Genotype:CUMS model | Treatment:Albiflorin	
SUBJECT_SAMPLE_FACTORS           	-	Beta_10_5	Genotype:CUMS model | Treatment:Albiflorin	
SUBJECT_SAMPLE_FACTORS           	-	Beta_10_6	Genotype:CUMS model | Treatment:Albiflorin	
SUBJECT_SAMPLE_FACTORS           	-	Beta_10_7	Genotype:CUMS model | Treatment:Albiflorin	
SUBJECT_SAMPLE_FACTORS           	-	Beta_10_8	Genotype:CUMS model | Treatment:Albiflorin	
#COLLECTION
CO:COLLECTION_SUMMARY            	Male Sprague-Dawley (SD) rats (180-220 g) were randomly assigned to control or
CO:COLLECTION_SUMMARY            	CUMS group. Rats in CUMS group were exposed to one random stressor per day for
CO:COLLECTION_SUMMARY            	35 d. Following four weeks of stress exposure, rats with stress-induced
CO:COLLECTION_SUMMARY            	depression-like behaviors were treated daily with either saline, Fluoxetine or
CO:COLLECTION_SUMMARY            	Albiflroin for 7 days via intragastric gavage.
CO:SAMPLE_TYPE                   	Plasma
CO:STORAGE_CONDITIONS            	-80C
CO:BLOOD_SERUM_OR_PLASMA         	Plasma
#TREATMENT
TR:TREATMENT_SUMMARY             	Following four weeks of stress exposure, rats with stress-induced
TR:TREATMENT_SUMMARY             	depression-like behaviors were treated daily with either saline, fluoxetine or
TR:TREATMENT_SUMMARY             	albiflorin for 7 days via intragastric gavage
TR:TREATMENT                     	Antidepressants
TR:TREATMENT_COMPOUND            	Albiflorin or fluoxetine
TR:TREATMENT_ROUTE               	Intragastric gavage
TR:TREATMENT_DOSE                	Albiflorin 7 mg/kg; fluoxetine 10 mg/kg
TR:TREATMENT_DOSEVOLUME          	0.2 ml/g
TR:TREATMENT_DOSEDURATION        	7 days
TR:TREATMENT_VEHICLE             	Saline
TR:ANIMAL_ANESTHESIA             	No
TR:ANIMAL_ACCLIMATION_DURATION   	No
TR:ANIMAL_FASTING                	No
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Briefly, for plasma samples, 95 µl of plasma was mixed with 5 µl of isotope
SP:SAMPLEPREP_SUMMARY            	standards mix and extracted with 400 µl of pre-cold extraction buffer
SP:SAMPLEPREP_SUMMARY            	containing methanol/acetonitrile (50/50, v/v). The mixture was incubated on ice
SP:SAMPLEPREP_SUMMARY            	for 30 min and centrifuged for 10 min at 16,000 g and 4 ºC. The supernatant
SP:SAMPLEPREP_SUMMARY            	containing both polar and nonpolar metabolites was transferred to new tubes and
SP:SAMPLEPREP_SUMMARY            	stored at -80 ºC for metabolomic analysis
SP:EXTRACTION_METHOD             	methanol/acetonitrile (50/50, v/v) precipitation
SP:EXTRACT_STORAGE               	-80 ºC
SP:SAMPLE_DERIVATIZATION         	No
SP:SAMPLE_SPIKING                	Isotope standards
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Waters ACQUITY UPLC
CH:COLUMN_NAME                   	Luna NH2 aminopropyl HPLC column
CH:FLOW_RATE                     	0.35 ml/min
CH:COLUMN_TEMPERATURE            	25 °C
CH:SOLVENT_A                     	95% watrer+5% acetonitrile+20 mM ammonium hydroxide+20 mM ammonium acetate, pH
CH:SOLVENT_A                     	9.0
CH:SOLVENT_B                     	100% acetonitrile
CH:COLUMN_PRESSURE               	2200 psi
CH:INJECTION_TEMPERATURE         	4 °C
CH:SAMPLE_INJECTION              	12 µl
CH:SAMPLE_LOOP_SIZE              	12
CH:RANDOMIZATION_ORDER           	Yes
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:SOFTWARE_VERSION              	Analyst 1.6.2
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	ABI Sciex 6500 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:COLLISION_ENERGY              	Compound dependent
MS:COLLISION_GAS                 	25
MS:MASS_ACCURACY                 	0.1 Da
MS:SOURCE_TEMPERATURE            	475 ºC
MS:SPRAY_VOLTAGE                 	-4500 ºC
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	AUC
MS_METABOLITE_DATA_START
Samples	Beta_10_1	Beta_10_2	Beta_10_3	Beta_10_4	Beta_10_5	Beta_10_6	Beta_10_7	Beta_10_8	Beta_8_1	Beta_8_2	Beta_8_3	Beta_8_4	Beta_8_5	Beta_8_6	Beta_8_7	Beta_8_8	Beta_8_9	Beta_9_1	Beta_9_2	Beta_9_3	Beta_9_4	Beta_9_5	Beta_9_6	Beta_9_7	Beta_9_8	Beta_7_11	Beta_7_12	Beta_7_13	Beta_7_15	Beta_7_3	Beta_7_4	Beta_7_7	Beta_7_8
Factors	Genotype:CUMS model | Treatment:Albiflorin	Genotype:CUMS model | Treatment:Albiflorin	Genotype:CUMS model | Treatment:Albiflorin	Genotype:CUMS model | Treatment:Albiflorin	Genotype:CUMS model | Treatment:Albiflorin	Genotype:CUMS model | Treatment:Albiflorin	Genotype:CUMS model | Treatment:Albiflorin	Genotype:CUMS model | Treatment:Albiflorin	Genotype:CUMS model | Treatment:Saline	Genotype:CUMS model | Treatment:Saline	Genotype:CUMS model | Treatment:Saline	Genotype:CUMS model | Treatment:Saline	Genotype:CUMS model | Treatment:Saline	Genotype:CUMS model | Treatment:Saline	Genotype:CUMS model | Treatment:Saline	Genotype:CUMS model | Treatment:Saline	Genotype:CUMS model | Treatment:Saline	Genotype:CUMS model | Treatment:Fluoxetine	Genotype:CUMS model | Treatment:Fluoxetine	Genotype:CUMS model | Treatment:Fluoxetine	Genotype:CUMS model | Treatment:Fluoxetine	Genotype:CUMS model | Treatment:Fluoxetine	Genotype:CUMS model | Treatment:Fluoxetine	Genotype:CUMS model | Treatment:Fluoxetine	Genotype:CUMS model | Treatment:Fluoxetine	Genotype:Wild-type | Treatment:Saline	Genotype:Wild-type | Treatment:Saline	Genotype:Wild-type | Treatment:Saline	Genotype:Wild-type | Treatment:Saline	Genotype:Wild-type | Treatment:Saline	Genotype:Wild-type | Treatment:Saline	Genotype:Wild-type | Treatment:Saline	Genotype:Wild-type | Treatment:Saline
Isovalerylglycine	136000.00	105000.00	144000.00	123000.00	173000.00	171000.00	158000.00	149000.00	144000.00	157000.00	108000.00	157000.00	134000.00	127000.00	85000.00	105000.00	113000.00	169000.00	136000.00	113000.00	124000.00	103000.00	163000.00	119000.00	158000.00	176000.00	138000.00	149000.00	105000.00	138000.00	121000.00	137000.00	145000.00
Methylsuccinic acid	1820000.00	1280000.00	873000.00	1400000.00	1030000.00	1210000.00	717000.00	830000.00	715000.00	1380000.00	746000.00	1570000.00	1090000.00	1290000.00	1010000.00	1470000.00	702000.00	1080000.00	1350000.00	2260000.00	1160000.00	1210000.00	670000.00	1330000.00	1350000.00	1240000.00	1170000.00	1100000.00	1500000.00	1180000.00	1730000.00	1490000.00	1540000.00
Suberic acid	5050000.00	5590000.00	4000000.00	5540000.00	3920000.00	3830000.00	4230000.00	3850000.00	8330000.00	5180000.00	3030000.00	8720000.00	6090000.00	3500000.00	6980000.00	8790000.00	3460000.00	9190000.00	8770000.00	5140000.00	4870000.00	4110000.00	6870000.00	3440000.00	4720000.00	3910000.00	2810000.00	5480000.00	5710000.00	3280000.00	4970000.00	6730000.00	5230000.00
Phenylacetylglutamine	37900.00	45100.00	69700.00	117000.00	59800.00	71800.00	96300.00	60500.00	52200.00	66100.00	53000.00	49500.00	41000.00	36500.00	57600.00	70800.00	250000.00	73500.00	72000.00	262000.00	118000.00	51400.00	60700.00	46700.00	144000.00	60500.00	246000.00	222000.00	90800.00	74600.00	51500.00	122000.00	72700.00
Indoxyl sulfate	27500000.00	23000000.00	47900000.00	55300000.00	55600000.00	45900000.00	54400000.00	32500000.00	43200000.00	62600000.00	21200000.00	34300000.00	31100000.00	38200000.00	37700000.00	46600000.00	31900000.00	43700000.00	58400000.00	39300000.00	85900000.00	42600000.00	82800000.00	15300000.00	51600000.00	35100000.00	43600000.00	65800000.00	66400000.00	42600000.00	58900000.00	97600000.00	54000000.00
Pyroglutamic acid	419000.00	261000.00	284000.00	299000.00	333000.00	201000.00	350000.00	377000.00	502000.00	479000.00	347000.00	369000.00	495000.00	218000.00	446000.00	418000.00	340000.00	1730000.00	290000.00	566000.00	315000.00	341000.00	272000.00	236000.00	277000.00	405000.00	257000.00	305000.00	410000.00	268000.00	466000.00	295000.00	401000.00
Arginine	9210000.00	8940000.00	8860000.00	5710000.00	11900000.00	12100000.00	13400000.00	10100000.00	10300000.00	8360000.00	7720000.00	12000000.00	8330000.00	9400000.00	9400000.00	8490000.00	8630000.00	11000000.00	9300000.00	3980000.00	6750000.00	8590000.00	10700000.00	6630000.00	7970000.00	7490000.00	10200000.00	9110000.00	7730000.00	11800000.00	9850000.00	9800000.00	7420000.00
Uric acid	21900000.00	22000000.00	19400000.00	31000000.00	26800000.00	28400000.00	11800000.00	11800000.00	28900000.00	20400000.00	13900000.00	27900000.00	21500000.00	16800000.00	23500000.00	30300000.00	15600000.00	25200000.00	28800000.00	27700000.00	26100000.00	22900000.00	33200000.00	25800000.00	20700000.00	32000000.00	18600000.00	28200000.00	26200000.00	31600000.00	23300000.00	21300000.00	22100000.00
Docosahexaenoic acid	51500000.00	50900000.00	45800000.00	33900000.00	24400000.00	18000000.00	18900000.00	53900000.00	14800000.00	29400000.00	33500000.00	20100000.00	44900000.00	34800000.00	17300000.00	24500000.00	23100000.00	25600000.00	14500000.00	15200000.00	22300000.00	25800000.00	21900000.00	71000000.00	30800000.00	30200000.00	28400000.00	25700000.00	19900000.00	44200000.00	33400000.00	21800000.00	30000000.00
Adipic acid	334000.00	463000.00	267000.00	578000.00	297000.00	319000.00	402000.00	357000.00	374000.00	396000.00	433000.00	328000.00	1660000.00	532000.00	519000.00	415000.00	381000.00	473000.00	437000.00	210000.00	298000.00	884000.00	571000.00	488000.00	693000.00	735000.00	836000.00	374000.00	480000.00	531000.00	1500000.00	441000.00	565000.00
Hippuric acid	33400000.00	22200000.00	20600000.00	26400000.00	35300000.00	26700000.00	13500000.00	17700000.00	35600000.00	29000000.00	17800000.00	23300000.00	14900000.00	31300000.00	31000000.00	40700000.00	23700000.00	31100000.00	32300000.00	27300000.00	35700000.00	26200000.00	39400000.00	27500000.00	27900000.00	26700000.00	12800000.00	25900000.00	33900000.00	8870000.00	20300000.00	30600000.00	32300000.00
CL(18:2/18:2/18:2/18:1)	57000.00	86600.00	95100.00	120000.00	79200.00	91100.00	132000.00	118000.00	174000.00	38800.00	175000.00	145000.00	78500.00	158000.00	130000.00	61500.00	96700.00	85100.00	85100.00	96700.00	108000.00	57700.00	54000.00	107000.00	68900.00	153000.00	92300.00	68100.00	94200.00	95500.00	54000.00	53200.00	75700.00
PA(18:1/18:1)	7050000.00	8110000.00	5510000.00	6070000.00	7300000.00	5890000.00	6960000.00	9910000.00	6800000.00	4680000.00	5230000.00	5480000.00	3900000.00	7150000.00	6230000.00	4680000.00	4990000.00	5240000.00	5180000.00	5620000.00	5710000.00	5680000.00	6890000.00	4750000.00	5110000.00	4190000.00	3810000.00	4760000.00	5000000.00	3890000.00	3010000.00	3760000.00	3380000.00
PA(16:0/16:0)	2900000.00	2860000.00	3370000.00	3480000.00	3290000.00	3530000.00	3770000.00	3270000.00	3950000.00	2390000.00	3060000.00	2960000.00	3550000.00	3370000.00	3230000.00	3080000.00	3870000.00	3110000.00	3350000.00	3320000.00	3420000.00	3610000.00	2990000.00	2250000.00	2320000.00	4020000.00	3150000.00	4630000.00	3500000.00	3760000.00	2530000.00	3330000.00	3910000.00
SM(d18:1/20:0 OH)	73400.00	49600.00	126000.00	124000.00	91800.00	151000.00	117000.00	149000.00	141000.00	19400.00	115000.00	263000.00	49100.00	114000.00	68600.00	105000.00	112000.00	91000.00	127000.00	64200.00	138000.00	90100.00	67500.00	110000.00	92500.00	72200.00	72600.00	63000.00	108000.00	92200.00	57000.00	72800.00	89000.00
CL(18:2/18:2/18:2/18:2)	2420000.00	3210000.00	3430000.00	3610000.00	2970000.00	3610000.00	4100000.00	3320000.00	5390000.00	3620000.00	3030000.00	3630000.00	2650000.00	4700000.00	4970000.00	3570000.00	3740000.00	2610000.00	3460000.00	3860000.00	3090000.00	3860000.00	3080000.00	2970000.00	2530000.00	3540000.00	3750000.00	4190000.00	4170000.00	3570000.00	3770000.00	4500000.00	3860000.00
Cortisone	143000.00	150000.00	136000.00	152000.00	170000.00	173000.00	102000.00	126000.00	92400.00	102000.00	139000.00	125000.00	101000.00	124000.00	122000.00	124000.00	75700.00	123000.00	155000.00	53300.00	107000.00	53700.00	139000.00	131000.00	208000.00	166000.00	147000.00	138000.00	189000.00	216000.00	74200.00	184000.00	133000.00
CL(18:2/18:2/18:2/16:1)	1510000.00	1370000.00	1560000.00	1720000.00	1250000.00	1710000.00	1970000.00	1390000.00	2680000.00	1700000.00	1820000.00	1620000.00	1180000.00	1910000.00	2300000.00	1340000.00	2180000.00	1620000.00	1630000.00	1520000.00	1430000.00	1990000.00	1380000.00	1240000.00	1530000.00	1680000.00	1900000.00	1920000.00	1690000.00	1730000.00	1760000.00	1950000.00	1620000.00
CL(18:2/18:2/18:1/18:1)	745000.00	912000.00	665000.00	735000.00	646000.00	625000.00	1180000.00	954000.00	978000.00	775000.00	626000.00	814000.00	576000.00	1010000.00	1010000.00	638000.00	666000.00	657000.00	716000.00	943000.00	720000.00	800000.00	858000.00	555000.00	672000.00	848000.00	797000.00	1050000.00	801000.00	741000.00	758000.00	821000.00	571000.00
SM(d18:1/20:2 OH)	225000.00	292000.00	487000.00	457000.00	297000.00	509000.00	533000.00	524000.00	609000.00	154000.00	509000.00	751000.00	310000.00	283000.00	582000.00	366000.00	423000.00	522000.00	494000.00	273000.00	509000.00	546000.00	255000.00	408000.00	284000.00	431000.00	378000.00	269000.00	402000.00	262000.00	180000.00	223000.00	398000.00
PA(16:1/18:1)	48500.00	87600.00	52100.00	40800.00	59400.00	33000.00	91200.00	99100.00	76900.00	42900.00	38500.00	46500.00	29700.00	60800.00	78200.00	31300.00	42500.00	50600.00	42500.00	74700.00	45000.00	55600.00	79400.00	45100.00	40500.00	46600.00	30100.00	32100.00	16400.00	21300.00	24400.00	27700.00	27700.00
SM(d18:1/16:2 OH)	489000.00	250000.00	425000.00	540000.00	384000.00	398000.00	464000.00	573000.00	680000.00	474000.00	562000.00	511000.00	461000.00	525000.00	700000.00	575000.00	344000.00	390000.00	554000.00	470000.00	425000.00	692000.00	398000.00	564000.00	385000.00	491000.00	379000.00	328000.00	374000.00	500000.00	555000.00	540000.00	467000.00
SM(d18:1/18:2 OH)	718000.00	605000.00	718000.00	1060000.00	680000.00	621000.00	954000.00	992000.00	785000.00	708000.00	890000.00	891000.00	933000.00	720000.00	922000.00	779000.00	533000.00	845000.00	918000.00	997000.00	527000.00	1070000.00	674000.00	1350000.00	605000.00	842000.00	808000.00	520000.00	873000.00	803000.00	877000.00	976000.00	908000.00
SM(d18:1/16:1 OH)	1040000.00	739000.00	1240000.00	1260000.00	660000.00	871000.00	785000.00	1380000.00	1100000.00	1080000.00	1210000.00	986000.00	1530000.00	1170000.00	1690000.00	1380000.00	520000.00	975000.00	1920000.00	1780000.00	1030000.00	1360000.00	757000.00	1820000.00	920000.00	1370000.00	902000.00	848000.00	833000.00	1170000.00	1130000.00	1420000.00	1330000.00
PA(16:0/16:1)	205000.00	281000.00	193000.00	190000.00	262000.00	264000.00	390000.00	342000.00	353000.00	226000.00	265000.00	267000.00	149000.00	417000.00	381000.00	237000.00	268000.00	230000.00	275000.00	320000.00	266000.00	247000.00	361000.00	213000.00	228000.00	159000.00	104000.00	202000.00	171000.00	115000.00	126000.00	222000.00	146000.00
SM(d18:1/18:1)	177000.00	125000.00	194000.00	151000.00	154000.00	153000.00	172000.00	208000.00	137000.00	119000.00	150000.00	139000.00	168000.00	133000.00	187000.00	176000.00	91300.00	160000.00	127000.00	170000.00	162000.00	208000.00	99600.00	221000.00	86700.00	178000.00	146000.00	126000.00	126000.00	111000.00	137000.00	178000.00	173000.00
SM(d18:1/20:1 OH)	246000.00	216000.00	335000.00	224000.00	283000.00	373000.00	347000.00	322000.00	331000.00	283000.00	175000.00	278000.00	220000.00	348000.00	517000.00	297000.00	304000.00	276000.00	291000.00	695000.00	285000.00	402000.00	277000.00	298000.00	223000.00	286000.00	238000.00	277000.00	221000.00	308000.00	301000.00	255000.00	290000.00
SM(d18:1/16:0)	210000.00	193000.00	212000.00	267000.00	128000.00	261000.00	207000.00	149000.00	387000.00	190000.00	217000.00	447000.00	280000.00	167000.00	395000.00	367000.00	147000.00	235000.00	184000.00	266000.00	368000.00	300000.00	178000.00	360000.00	170000.00	267000.00	156000.00	252000.00	267000.00	196000.00	232000.00	384000.00	429000.00
SM(d18:1/18:0)	46100.00	33700.00	82900.00	113000.00	66500.00	156000.00	128000.00	108000.00	186000.00	77500.00	153000.00	168000.00	104000.00	94000.00	147000.00	102000.00	73000.00	140000.00	88900.00	94700.00	115000.00	64200.00	81100.00	145000.00	89300.00	142000.00	79100.00	92000.00	99300.00	145000.00	73400.00	102000.00	129000.00
SM(d18:1/18:1 OH)	355000.00	206000.00	389000.00	387000.00	248000.00	595000.00	442000.00	526000.00	581000.00	212000.00	385000.00	536000.00	362000.00	227000.00	458000.00	318000.00	324000.00	517000.00	346000.00	280000.00	352000.00	387000.00	292000.00	371000.00	209000.00	297000.00	236000.00	226000.00	417000.00	320000.00	275000.00	270000.00	463000.00
CL(18:2/18:2/16:1/16:1)	242000.00	235000.00	195000.00	223000.00	397000.00	506000.00	373000.00	282000.00	526000.00	424000.00	301000.00	365000.00	198000.00	559000.00	530000.00	287000.00	510000.00	298000.00	411000.00	289000.00	286000.00	362000.00	405000.00	189000.00	356000.00	202000.00	337000.00	352000.00	289000.00	239000.00	267000.00	383000.00	327000.00
SM(d18:1/16:1)	69400.00	49700.00	93500.00	79400.00	60100.00	60900.00	101000.00	77800.00	73200.00	102000.00	75100.00	71300.00	84900.00	91000.00	99200.00	74100.00	55200.00	62600.00	79400.00	135000.00	74200.00	101000.00	53900.00	89900.00	71300.00	80300.00	54100.00	52600.00	72400.00	63300.00	72000.00	103000.00	67200.00
SM(d18:1/18:0 OH)	172000.00	158000.00	124000.00	156000.00	173000.00	164000.00	150000.00	208000.00	211000.00	220000.00	141000.00	203000.00	102000.00	177000.00	323000.00	186000.00	130000.00	171000.00	198000.00	207000.00	171000.00	219000.00	176000.00	173000.00	102000.00	166000.00	121000.00	128000.00	164000.00	184000.00	147000.00	183000.00	125000.00
SM(d18:1/22:1)	195000.00	472000.00	372000.00	425000.00	433000.00	736000.00	976000.00	614000.00	650000.00	333000.00	435000.00	593000.00	289000.00	207000.00	499000.00	347000.00	514000.00	637000.00	738000.00	494000.00	637000.00	482000.00	495000.00	256000.00	241000.00	245000.00	275000.00	272000.00	468000.00	257000.00	261000.00	223000.00	302000.00
PE(34:2)	45200.00	58900.00	57700.00	65200.00	44600.00	55000.00	84300.00	95900.00	81300.00	47400.00	53700.00	92200.00	38200.00	40100.00	78100.00	53600.00	40400.00	60100.00	77000.00	44800.00	58800.00	88400.00	87400.00	40500.00	30700.00	35600.00	40100.00	35300.00	45400.00	37200.00	65300.00	25100.00	33100.00
PE(36:2)	776000.00	1270000.00	758000.00	856000.00	615000.00	779000.00	1270000.00	1420000.00	861000.00	622000.00	881000.00	1520000.00	661000.00	522000.00	1290000.00	894000.00	598000.00	921000.00	880000.00	923000.00	707000.00	1200000.00	1100000.00	548000.00	454000.00	424000.00	376000.00	358000.00	728000.00	521000.00	625000.00	239000.00	406000.00
PE(20:4/p18:0)	40100000.00	36000000.00	21100000.00	34900000.00	26500000.00	24400000.00	32100000.00	29100000.00	24300000.00	31300000.00	24900000.00	32200000.00	28800000.00	16800000.00	34300000.00	39900000.00	27900000.00	28700000.00	29200000.00	29900000.00	27700000.00	34700000.00	35800000.00	26000000.00	26100000.00	28200000.00	21700000.00	32100000.00	30400000.00	25700000.00	22600000.00	18100000.00	28700000.00
PE(22:6/p16:0)	108000.00	134000.00	79600.00	114000.00	116000.00	117000.00	135000.00	163000.00	111000.00	77000.00	163000.00	150000.00	96900.00	359000.00	106000.00	130000.00	122000.00	120000.00	146000.00	203000.00	83400.00	84600.00	158000.00	211000.00	139000.00	240000.00	126000.00	80100.00	126000.00	333000.00	107000.00	63100.00	118000.00
PE(36:4)	104000.00	204000.00	152000.00	128000.00	205000.00	270000.00	273000.00	213000.00	147000.00	60100.00	242000.00	196000.00	87400.00	316000.00	118000.00	105000.00	231000.00	295000.00	139000.00	302000.00	127000.00	85000.00	170000.00	226000.00	120000.00	196000.00	124000.00	162000.00	137000.00	223000.00	144000.00	72500.00	74200.00
PE(20:4/18:1)	40600.00	78300.00	43200.00	60300.00	58400.00	58500.00	94200.00	84500.00	50300.00	41800.00	60500.00	53500.00	24700.00	61300.00	55000.00	47500.00	85200.00	73500.00	40900.00	99000.00	53400.00	72900.00	60000.00	66000.00	47100.00	74700.00	44400.00	54400.00	55500.00	92200.00	61600.00	22300.00	33500.00
PE(p16:0/20:4)	541000.00	763000.00	476000.00	501000.00	588000.00	509000.00	759000.00	684000.00	475000.00	320000.00	943000.00	667000.00	467000.00	1190000.00	494000.00	783000.00	913000.00	608000.00	604000.00	922000.00	422000.00	553000.00	685000.00	657000.00	842000.00	1880000.00	664000.00	814000.00	503000.00	1640000.00	504000.00	332000.00	822000.00
PE(p18:0/22:6)	19000000.00	17300000.00	8450000.00	14300000.00	10400000.00	7370000.00	12200000.00	12700000.00	10900000.00	14400000.00	11600000.00	13800000.00	12300000.00	6140000.00	13300000.00	18600000.00	7090000.00	10600000.00	12500000.00	12900000.00	10300000.00	19200000.00	17900000.00	8450000.00	12500000.00	6880000.00	7660000.00	6370000.00	11000000.00	6150000.00	8200000.00	4790000.00	7220000.00
Eicosapentaenoic acid	421000.00	335000.00	281000.00	405000.00	346000.00	140000.00	179000.00	422000.00	175000.00	278000.00	1290000.00	101000.00	921000.00	2090000.00	164000.00	340000.00	380000.00	206000.00	238000.00	12900000.00	205000.00	423000.00	280000.00	640000.00	506000.00	387000.00	139000.00	883000.00	165000.00	974000.00	152000.00	234000.00	278000.00
Arachidonic acid	24700000.00	35700000.00	37900000.00	29700000.00	33200000.00	41400000.00	26400000.00	35900000.00	72500000.00	49100000.00	64100000.00	61500000.00	52100000.00	57400000.00	54800000.00	60700000.00	68100000.00	49500000.00	29900000.00	25000000.00	40400000.00	47000000.00	36500000.00	61800000.00	42100000.00	43200000.00	47000000.00	36500000.00	40300000.00	59300000.00	39300000.00	36700000.00	50700000.00
PGF2alpha	383000.00	354000.00	306000.00	357000.00	412000.00	354000.00	345000.00	316000.00	578000.00	487000.00	377000.00	512000.00	334000.00	475000.00	487000.00	437000.00	620000.00	446000.00	468000.00	852000.00	426000.00	570000.00	512000.00	489000.00	458000.00	441000.00	476000.00	467000.00	379000.00	413000.00	477000.00	500000.00	399000.00
SM(d18:1/20:0)	244000.00	478000.00	263000.00	409000.00	447000.00	567000.00	786000.00	603000.00	557000.00	472000.00	455000.00	419000.00	226000.00	186000.00	537000.00	376000.00	390000.00	434000.00	550000.00	441000.00	470000.00	664000.00	815000.00	292000.00	245000.00	113000.00	206000.00	171000.00	394000.00	206000.00	340000.00	147000.00	221000.00
Oleic acid	113000.00	152000.00	217000.00	189000.00	129000.00	44500.00	117000.00	179000.00	90400.00	132000.00	165000.00	44800.00	103000.00	177000.00	81200.00	115000.00	86200.00	60300.00	35800.00	103000.00	149000.00	241000.00	126000.00	323000.00	155000.00	116000.00	119000.00	93000.00	49500.00	352000.00	141000.00	85600.00	73400.00
Linoleic acid	532000.00	764000.00	500000.00	715000.00	751000.00	839000.00	578000.00	598000.00	496000.00	479000.00	379000.00	400000.00	391000.00	603000.00	588000.00	359000.00	360000.00	554000.00	657000.00	429000.00	551000.00	503000.00	565000.00	505000.00	486000.00	330000.00	373000.00	546000.00	476000.00	377000.00	416000.00	533000.00	415000.00
12-HETE	230000.00	148000.00	149000.00	120000.00	145000.00	191000.00	208000.00	173000.00	458000.00	760000.00	362000.00	1010000.00	435000.00	310000.00	422000.00	510000.00	641000.00	282000.00	416000.00	431000.00	394000.00	581000.00	375000.00	312000.00	666000.00	632000.00	198000.00	380000.00	223000.00	687000.00	358000.00	496000.00	273000.00
20-HETE	423000.00	467000.00	670000.00	420000.00	671000.00	521000.00	334000.00	571000.00	913000.00	607000.00	666000.00	1870000.00	1290000.00	1040000.00	984000.00	772000.00	670000.00	1310000.00	461000.00	982000.00	742000.00	1670000.00	761000.00	993000.00	1050000.00	1300000.00	752000.00	822000.00	624000.00	1450000.00	465000.00	878000.00	688000.00
5-HETE	329000.00	172000.00	155000.00	693000.00	605000.00	251000.00	436000.00	265000.00	115000.00	189000.00	628000.00	140000.00	201000.00	401000.00	217000.00	354000.00	215000.00	932000.00	198000.00	370000.00	261000.00	692000.00	315000.00	424000.00	271000.00	526000.00	304000.00	291000.00	268000.00	567000.00	198000.00	386000.00	234000.00
2-Pyrocatechuic acid	5100000.00	6110000.00	4090000.00	5600000.00	7860000.00	7430000.00	5750000.00	3740000.00	7440000.00	8040000.00	5240000.00	8020000.00	4270000.00	4700000.00	8290000.00	7830000.00	6880000.00	5600000.00	10300000.00	4490000.00	8510000.00	8580000.00	8960000.00	7060000.00	7800000.00	5930000.00	3280000.00	5930000.00	7680000.00	4480000.00	6600000.00	7470000.00	6350000.00
14,15-Epoxy-5,8,11-eicosatrienoic acid	59400.00	40000.00	24400.00	122000.00	71000.00	46800.00	62100.00	8840.00	21000.00	39600.00	92600.00	31700.00	45300.00	48600.00	38300.00	69700.00	36800.00	57100.00	17500.00	46800.00	41900.00	165000.00	54700.00	101000.00	53000.00	87500.00	39200.00	47700.00	13900.00	119000.00	38200.00	52400.00	56700.00
Glycerol	27700000.00	40400000.00	32900000.00	34200000.00	30300000.00	34100000.00	29300000.00	25300000.00	26100000.00	27000000.00	15600000.00	17200000.00	23900000.00	29800000.00	29600000.00	29900000.00	27700000.00	40600000.00	29100000.00	22400000.00	29300000.00	28800000.00	32900000.00	39200000.00	29500000.00	18400000.00	30500000.00	27200000.00	24300000.00	14600000.00	27400000.00	18700000.00	26600000.00
PI(40:5)	1610000.00	810000.00	560000.00	2370000.00	2090000.00	791000.00	1770000.00	1530000.00	3110000.00	1570000.00	3750000.00	2760000.00	1690000.00	3890000.00	3900000.00	2190000.00	2620000.00	1990000.00	2240000.00	2600000.00	1680000.00	2070000.00	3210000.00	1500000.00	1510000.00	2570000.00	454000.00	2250000.00	736000.00	1270000.00	597000.00	1780000.00	1440000.00
PI(38:5)	3120000.00	2510000.00	2840000.00	6760000.00	4690000.00	2500000.00	2410000.00	3090000.00	7180000.00	5280000.00	5770000.00	5970000.00	3630000.00	4300000.00	6070000.00	7330000.00	5840000.00	5220000.00	6010000.00	5840000.00	2970000.00	7140000.00	7050000.00	4620000.00	5640000.00	8000000.00	2290000.00	7520000.00	1830000.00	5120000.00	2470000.00	4600000.00	5260000.00
PI(36:4)	12500000.00	10300000.00	7620000.00	19600000.00	19700000.00	11900000.00	10700000.00	14200000.00	22500000.00	17900000.00	20100000.00	20900000.00	12800000.00	19200000.00	19100000.00	18100000.00	21700000.00	22600000.00	20000000.00	17100000.00	11400000.00	16800000.00	20200000.00	13700000.00	17700000.00	16300000.00	6350000.00	17000000.00	6990000.00	11800000.00	5730000.00	10100000.00	15400000.00
PI(16:0/16:0)	225000.00	247000.00	65900.00	475000.00	369000.00	177000.00	176000.00	320000.00	990000.00	249000.00	588000.00	504000.00	246000.00	788000.00	894000.00	310000.00	432000.00	476000.00	510000.00	632000.00	256000.00	419000.00	650000.00	226000.00	297000.00	351000.00	98800.00	295000.00	101000.00	260000.00	98400.00	291000.00	315000.00
PI(36:1)	750000.00	577000.00	593000.00	2140000.00	1930000.00	1080000.00	1150000.00	888000.00	3170000.00	1610000.00	2800000.00	2070000.00	726000.00	3140000.00	2890000.00	2300000.00	2950000.00	2380000.00	2210000.00	2410000.00	1260000.00	3230000.00	2960000.00	1130000.00	1910000.00	2020000.00	594000.00	2180000.00	996000.00	1670000.00	455000.00	1660000.00	1580000.00
Uracil	3600000.00	3950000.00	3640000.00	3650000.00	2680000.00	4690000.00	2470000.00	2120000.00	5260000.00	2820000.00	2340000.00	5250000.00	3120000.00	3460000.00	4550000.00	4930000.00	3290000.00	4750000.00	7260000.00	29300000.00	2690000.00	2560000.00	4040000.00	2830000.00	3730000.00	4530000.00	3330000.00	6000000.00	3610000.00	4360000.00	4920000.00	3610000.00	4980000.00
PS(18:0/18:1)	50400.00	85900.00	74900.00	76800.00	117000.00	115000.00	121000.00	79900.00	153000.00	58700.00	149000.00	136000.00	65400.00	70300.00	139000.00	126000.00	123000.00	259000.00	91100.00	136000.00	69600.00	104000.00	180000.00	78600.00	60300.00	213000.00	70200.00	221000.00	66900.00	197000.00	40000.00	106000.00	117000.00
Taurodeoxycholic acid	753000.00	929000.00	387000.00	2170000.00	447000.00	117000.00	313000.00	894000.00	1140000.00	3440000.00	2390000.00	2410000.00	1740000.00	679000.00	700000.00	1970000.00	402000.00	704000.00	1970000.00	611000.00	471000.00	1050000.00	1190000.00	2130000.00	1570000.00	886000.00	429000.00	379000.00	657000.00	759000.00	322000.00	492000.00	1740000.00
4-Pyridoxic acid	20200000.00	20200000.00	14400000.00	18700000.00	20700000.00	14200000.00	14400000.00	15300000.00	15900000.00	14000000.00	10200000.00	13100000.00	11500000.00	13200000.00	19500000.00	18400000.00	11800000.00	16100000.00	13800000.00	28600000.00	17600000.00	14400000.00	20400000.00	23900000.00	18100000.00	10900000.00	10800000.00	16200000.00	16500000.00	11700000.00	22600000.00	17100000.00	19000000.00
Hydroxyisocaproic acid	1050000.00	937000.00	706000.00	844000.00	1380000.00	836000.00	1160000.00	1250000.00	919000.00	439000.00	1040000.00	918000.00	354000.00	1320000.00	1240000.00	1030000.00	1160000.00	1110000.00	1030000.00	959000.00	860000.00	980000.00	1720000.00	943000.00	1360000.00	874000.00	767000.00	981000.00	662000.00	1440000.00	767000.00	1090000.00	933000.00
Chenodeoxycholic acid	1020000.00	1960000.00	750000.00	1710000.00	499000.00	85100.00	723000.00	1990000.00	331000.00	1260000.00	2540000.00	3280000.00	511000.00	2740000.00	107000.00	1080000.00	294000.00	341000.00	989000.00	1190000.00	1540000.00	878000.00	1400000.00	1980000.00	869000.00	1740000.00	526000.00	4700000.00	2560000.00	2570000.00	1160000.00	1850000.00	4540000.00
Deoxycholic acid	1330000.00	1430000.00	1670000.00	4050000.00	426000.00	360000.00	951000.00	1840000.00	486000.00	1870000.00	4840000.00	3680000.00	590000.00	1930000.00	190000.00	1710000.00	461000.00	642000.00	1780000.00	1440000.00	3220000.00	1460000.00	2520000.00	3260000.00	1750000.00	2900000.00	1420000.00	2840000.00	2220000.00	4490000.00	918000.00	1560000.00	6740000.00
Uridine	647000.00	409000.00	585000.00	519000.00	624000.00	533000.00	483000.00	456000.00	433000.00	438000.00	426000.00	430000.00	509000.00	480000.00	464000.00	576000.00	388000.00	576000.00	432000.00	1180000.00	383000.00	482000.00	620000.00	499000.00	407000.00	577000.00	521000.00	431000.00	525000.00	413000.00	587000.00	491000.00	444000.00
Glycocholic acid	2600000.00	2230000.00	9060000.00	1050000.00	7660000.00	518000.00	18800000.00	4800000.00	8540000.00	1800000.00	3720000.00	5680000.00	804000.00	8690000.00	265000.00	779000.00	737000.00	181000.00	1190000.00	970000.00	8330000.00	736000.00	1990000.00	427000.00	1810000.00	1620000.00	790000.00	12200000.00	1080000.00	2990000.00	3350000.00	4320000.00	3560000.00
Nicotinic acid	259000.00	285000.00	271000.00	380000.00	293000.00	239000.00	232000.00	287000.00	414000.00	501000.00	387000.00	313000.00	352000.00	516000.00	545000.00	319000.00	476000.00	447000.00	374000.00	356000.00	461000.00	418000.00	442000.00	512000.00	354000.00	468000.00	463000.00	544000.00	397000.00	447000.00	535000.00	475000.00	429000.00
p-Aminobenzoic acid	6100000.00	4600000.00	5900000.00	4300000.00	5630000.00	7300000.00	6300000.00	5400000.00	5430000.00	5730000.00	4590000.00	7490000.00	7410000.00	8520000.00	6420000.00	5050000.00	5450000.00	13900000.00	15300000.00	6040000.00	14100000.00	14400000.00	16000000.00	15900000.00	13100000.00	15900000.00	13100000.00	14300000.00	13500000.00	14800000.00	15600000.00	15100000.00	16100000.00
L-Lactic acid	250000000.00	299000000.00	207000000.00	282000000.00	189000000.00	224000000.00	174000000.00	145000000.00	377000000.00	233000000.00	136000000.00	358000000.00	245000000.00	174000000.00	354000000.00	407000000.00	161000000.00	455000000.00	410000000.00	243000000.00	215000000.00	169000000.00	336000000.00	157000000.00	264000000.00	183000000.00	111000000.00	266000000.00	245000000.00	184000000.00	221000000.00	318000000.00	229000000.00
Pantothenic acid	15900000.00	17900000.00	18700000.00	20200000.00	17200000.00	18200000.00	17100000.00	14100000.00	16800000.00	20200000.00	18500000.00	12000000.00	20000000.00	13500000.00	20500000.00	16200000.00	20300000.00	13900000.00	17100000.00	13900000.00	14200000.00	14900000.00	14700000.00	16400000.00	18300000.00	19800000.00	21600000.00	14500000.00	25700000.00	35100000.00	21200000.00	19900000.00	23300000.00
Kynurenic acid	5430000.00	6470000.00	6490000.00	6990000.00	5430000.00	3770000.00	4860000.00	4970000.00	4800000.00	7110000.00	3910000.00	5330000.00	5780000.00	4560000.00	5850000.00	5530000.00	3370000.00	4990000.00	5430000.00	5160000.00	6380000.00	3970000.00	5080000.00	5130000.00	6150000.00	6560000.00	2990000.00	5670000.00	4160000.00	4560000.00	4170000.00	5390000.00	6540000.00
Taurine	16100000.00	15900000.00	16100000.00	15300000.00	16400000.00	17500000.00	11800000.00	18100000.00	15500000.00	15700000.00	12900000.00	23000000.00	16600000.00	9340000.00	18100000.00	18000000.00	11100000.00	27600000.00	15600000.00	14700000.00	16000000.00	14400000.00	14200000.00	12600000.00	10200000.00	21900000.00	18900000.00	21800000.00	19200000.00	21900000.00	19200000.00	18700000.00	23400000.00
Homovanillic acid	425000.00	441000.00	473000.00	492000.00	641000.00	634000.00	429000.00	608000.00	671000.00	829000.00	464000.00	746000.00	420000.00	1070000.00	748000.00	725000.00	682000.00	554000.00	722000.00	411000.00	590000.00	862000.00	881000.00	630000.00	704000.00	482000.00	441000.00	528000.00	398000.00	612000.00	520000.00	726000.00	640000.00
Camp	145000.00	200000.00	147000.00	192000.00	151000.00	172000.00	150000.00	285000.00	182000.00	218000.00	174000.00	233000.00	250000.00	233000.00	180000.00	204000.00	167000.00	112000.00	201000.00	542000.00	148000.00	181000.00	117000.00	214000.00	191000.00	189000.00	161000.00	218000.00	192000.00	209000.00	293000.00	155000.00	255000.00
Allantoin	20600000.00	15500000.00	16600000.00	21800000.00	19500000.00	15800000.00	14300000.00	12400000.00	15500000.00	13500000.00	11500000.00	16600000.00	17700000.00	14500000.00	16300000.00	16900000.00	11400000.00	12900000.00	16200000.00	11200000.00	16300000.00	14300000.00	19600000.00	18500000.00	25200000.00	23300000.00	22400000.00	24500000.00	21000000.00	14100000.00	19900000.00	17300000.00	21800000.00
Glucose	12400000.00	15400000.00	13000000.00	16300000.00	13200000.00	14500000.00	11700000.00	13400000.00	10200000.00	10900000.00	15300000.00	7610000.00	10500000.00	14100000.00	11000000.00	11400000.00	16400000.00	14900000.00	13800000.00	14600000.00	12800000.00	13600000.00	13600000.00	17400000.00	17100000.00	16300000.00	13300000.00	12900000.00	15700000.00	17900000.00	14700000.00	11900000.00	12300000.00
L-Threonine	9300000.00	8170000.00	6130000.00	9550000.00	13100000.00	11700000.00	12300000.00	14000000.00	13400000.00	10400000.00	7030000.00	12600000.00	10600000.00	9140000.00	10800000.00	9570000.00	9770000.00	15200000.00	11900000.00	7730000.00	11600000.00	8390000.00	12000000.00	7790000.00	7440000.00	13000000.00	10000000.00	9110000.00	8880000.00	9500000.00	11400000.00	11600000.00	10600000.00
2,3-Diphosphoglyceric acid	16200.00	18200.00	21300.00	39900.00	27900.00	16000.00	16000.00	24100.00	14900.00	21200.00	13200.00	30700.00	26900.00	24300.00	17100.00	16800.00	13900.00	20300.00	18900.00	16800.00	21900.00	23200.00	40900.00	19500.00	11200.00	31700.00	16200.00	34500.00	32300.00	22400.00	33300.00	28300.00	41800.00
Citrulline	10500000.00	10800000.00	9260000.00	10900000.00	11000000.00	11400000.00	10500000.00	12500000.00	12200000.00	7910000.00	7850000.00	14100000.00	10800000.00	10500000.00	14700000.00	14100000.00	8100000.00	15300000.00	10500000.00	5560000.00	12100000.00	10500000.00	13800000.00	10500000.00	7070000.00	9280000.00	9180000.00	11000000.00	7970000.00	7270000.00	9430000.00	11200000.00	10300000.00
Hypoxanthine	63000.00	88400.00	67300.00	63600.00	61900.00	95500.00	113000.00	67700.00	142000.00	56000.00	162000.00	96900.00	98500.00	209000.00	204000.00	111000.00	586000.00	164000.00	198000.00	118000.00	175000.00	80800.00	256000.00	40900.00	13400.00	70900.00	62800.00	188000.00	55000.00	125000.00	75100.00	227000.00	139000.00
S-Adenosylhomocysteine	44500.00	23800.00	39300.00	28500.00	53900.00	40300.00	34500.00	17300.00	55000.00	67500.00	17700.00	40400.00	35100.00	27300.00	47100.00	19100.00	17500.00	40300.00	40100.00	16400.00	64200.00	48300.00	49700.00	42700.00	54200.00	51500.00	35900.00	36400.00	41600.00	34100.00	63800.00	29600.00	31500.00
Allantoic acid	541000.00	352000.00	367000.00	466000.00	390000.00	375000.00	402000.00	447000.00	344000.00	260000.00	427000.00	353000.00	358000.00	343000.00	452000.00	469000.00	326000.00	1350000.00	342000.00	164000.00	396000.00	351000.00	482000.00	454000.00	249000.00	389000.00	408000.00	347000.00	371000.00	327000.00	435000.00	377000.00	376000.00
Myoinositol	6550000.00	6560000.00	7090000.00	6970000.00	8390000.00	6520000.00	5610000.00	6180000.00	5700000.00	6810000.00	5800000.00	5860000.00	4320000.00	5170000.00	6130000.00	6770000.00	6920000.00	7250000.00	6450000.00	6010000.00	6940000.00	5650000.00	6600000.00	6260000.00	14100000.00	4970000.00	6290000.00	4570000.00	7760000.00	4590000.00	7660000.00	5860000.00	5000000.00
Inosine	462000.00	380000.00	333000.00	383000.00	285000.00	576000.00	491000.00	320000.00	968000.00	465000.00	1060000.00	591000.00	554000.00	946000.00	1130000.00	680000.00	1750000.00	1100000.00	1020000.00	605000.00	863000.00	532000.00	1050000.00	218000.00	104000.00	451000.00	364000.00	1160000.00	317000.00	778000.00	333000.00	1090000.00	879000.00
NAD	103000.00	114000.00	117000.00	118000.00	152000.00	103000.00	113000.00	87400.00	70300.00	144000.00	134000.00	65200.00	104000.00	80700.00	97700.00	154000.00	89900.00	82900.00	79300.00	41300.00	149000.00	114000.00	92700.00	89100.00	79400.00	107000.00	90600.00	62400.00	105000.00	169000.00	96100.00	111000.00	96700.00
Gamma-glutamyl-Alanine	520000.00	586000.00	448000.00	539000.00	626000.00	593000.00	523000.00	458000.00	667000.00	461000.00	277000.00	496000.00	375000.00	407000.00	569000.00	452000.00	391000.00	916000.00	582000.00	367000.00	566000.00	374000.00	823000.00	487000.00	420000.00	510000.00	370000.00	554000.00	570000.00	345000.00	672000.00	493000.00	510000.00
L-Aspartic acid	486000.00	571000.00	478000.00	439000.00	552000.00	503000.00	383000.00	506000.00	991000.00	504000.00	401000.00	898000.00	626000.00	375000.00	562000.00	859000.00	472000.00	993000.00	613000.00	584000.00	563000.00	530000.00	780000.00	472000.00	478000.00	706000.00	475000.00	736000.00	358000.00	693000.00	733000.00	735000.00	667000.00
Guanosine	27000.00	23700.00	47800.00	26700.00	22900.00	40500.00	53400.00	30800.00	55600.00	29700.00	80600.00	49700.00	27900.00	46700.00	61400.00	33700.00	98700.00	48500.00	28100.00	67300.00	55800.00	29000.00	51800.00	17400.00	16600.00	46000.00	34300.00	25900.00	22600.00	27600.00	20100.00	40000.00	27400.00
Orotic acid	4160000.00	2680000.00	2420000.00	3400000.00	3120000.00	3050000.00	2380000.00	1760000.00	4910000.00	4150000.00	3100000.00	4630000.00	2990000.00	4690000.00	2860000.00	2640000.00	4220000.00	3110000.00	3490000.00	2300000.00	3550000.00	2970000.00	2840000.00	2890000.00	2160000.00	3870000.00	2230000.00	3350000.00	3520000.00	2290000.00	2960000.00	3040000.00	4650000.00
Xanthosine	201000.00	364000.00	258000.00	235000.00	290000.00	218000.00	145000.00	52600.00	146000.00	198000.00	89000.00	119000.00	168000.00	134000.00	139000.00	165000.00	142000.00	249000.00	212000.00	154000.00	318000.00	223000.00	131000.00	214000.00	152000.00	139000.00	117000.00	119000.00	244000.00	276000.00	118000.00	133000.00	239000.00
L-Cystine	98000.00	95900.00	129000.00	154000.00	211000.00	136000.00	132000.00	92600.00	263000.00	188000.00	131000.00	304000.00	189000.00	189000.00	205000.00	210000.00	143000.00	238000.00	111000.00	162000.00	128000.00	131000.00	193000.00	157000.00	136000.00	295000.00	113000.00	237000.00	151000.00	117000.00	180000.00	225000.00	195000.00
Glutathione	9840.00	16400.00	16300.00	13800.00	14200.00	9450.00	10200.00	9710.00	8100.00	10900.00	16400.00	13300.00	9300.00	21300.00	7050.00	8340.00	15700.00	15300.00	13700.00	13900.00	15500.00	13600.00	10000.00	15900.00	17600.00	20900.00	14200.00	17300.00	14400.00	12200.00	15200.00	8150.00	17000.00
N-acetyl-L-aspartic acid	1100000.00	903000.00	982000.00	1020000.00	1240000.00	886000.00	620000.00	854000.00	1960000.00	779000.00	702000.00	776000.00	687000.00	869000.00	1520000.00	1280000.00	872000.00	1610000.00	1210000.00	3140000.00	866000.00	698000.00	4660000.00	855000.00	1060000.00	644000.00	1510000.00	814000.00	3280000.00	386000.00	741000.00	832000.00	824000.00
Glycerol 3-phosphate	1440000.00	930000.00	1110000.00	1030000.00	3680000.00	1210000.00	2490000.00	1030000.00	468000.00	1270000.00	2790000.00	587000.00	702000.00	2600000.00	597000.00	626000.00	770000.00	1090000.00	635000.00	257000.00	791000.00	794000.00	708000.00	1750000.00	1080000.00	633000.00	984000.00	909000.00	988000.00	1060000.00	699000.00	765000.00	736000.00
Succinic acid	2370000.00	3570000.00	1640000.00	2020000.00	1350000.00	1380000.00	1250000.00	1240000.00	6770000.00	1620000.00	1330000.00	4710000.00	2130000.00	1400000.00	3460000.00	7920000.00	1540000.00	6500000.00	9380000.00	5170000.00	1480000.00	1460000.00	4350000.00	1180000.00	2030000.00	1780000.00	1120000.00	3130000.00	1470000.00	2080000.00	2080000.00	2800000.00	1960000.00
Fructose 6-phosphate	244000.00	200000.00	154000.00	182000.00	347000.00	143000.00	208000.00	159000.00	430000.00	319000.00	305000.00	472000.00	371000.00	468000.00	443000.00	137000.00	373000.00	412000.00	328000.00	477000.00	180000.00	319000.00	225000.00	527000.00	307000.00	502000.00	344000.00	491000.00	137000.00	369000.00	385000.00	240000.00	216000.00
Malic acid	34800000.00	38800000.00	27800000.00	36800000.00	25700000.00	20400000.00	16700000.00	18300000.00	38900000.00	25600000.00	16600000.00	38000000.00	32000000.00	20000000.00	42200000.00	50900000.00	16900000.00	48400000.00	46500000.00	61900000.00	23700000.00	18900000.00	38800000.00	22200000.00	32700000.00	20800000.00	16700000.00	31100000.00	24400000.00	24900000.00	23500000.00	30200000.00	32000000.00
Azelaic acid	1100000.00	1110000.00	1280000.00	1230000.00	1380000.00	1320000.00	1220000.00	1220000.00	1190000.00	1260000.00	1120000.00	1310000.00	1220000.00	1110000.00	1430000.00	1200000.00	1070000.00	1120000.00	1110000.00	2220000.00	1120000.00	1140000.00	1200000.00	1110000.00	1230000.00	1250000.00	1190000.00	1170000.00	1210000.00	1190000.00	1100000.00	1180000.00	1100000.00
Oxaloacetic acid	7990000.00	8070000.00	11200000.00	6180000.00	12000000.00	12000000.00	4980000.00	9440000.00	14900000.00	25800000.00	18000000.00	28000000.00	28100000.00	7470000.00	21100000.00	13100000.00	11700000.00	4160000.00	11100000.00	4010000.00	9050000.00	6940000.00	6920000.00	4340000.00	10500000.00	8790000.00	5320000.00	9230000.00	16400000.00	3000000.00	9680000.00	13300000.00	13600000.00
Ascorbic acid	463000.00	651000.00	436000.00	473000.00	425000.00	321000.00	359000.00	375000.00	231000.00	214000.00	189000.00	238000.00	221000.00	175000.00	357000.00	231000.00	282000.00	326000.00	206000.00	676000.00	281000.00	354000.00	290000.00	361000.00	407000.00	215000.00	302000.00	321000.00	390000.00	393000.00	375000.00	287000.00	300000.00
Pyrophosphate	289000.00	105000.00	273000.00	125000.00	169000.00	284000.00	161000.00	234000.00	114000.00	18900.00	24100.00	113000.00	105000.00	98400.00	28400.00	62400.00	8070.00	113000.00	8250.00	134000.00	61800.00	47800.00	68200.00	86300.00	135000.00	76100.00	57000.00	44100.00	164000.00	65600.00	6320.00	58300.00	85000.00
Glyceraldehyde 3-phosphate	232000.00	154000.00	174000.00	229000.00	169000.00	256000.00	200000.00	228000.00	261000.00	97300.00	66800.00	152000.00	124000.00	187000.00	113000.00	211000.00	71100.00	291000.00	107000.00	374000.00	166000.00	137000.00	112000.00	247000.00	117000.00	99700.00	108000.00	112000.00	213000.00	120000.00	102000.00	179000.00	117000.00
Quinolinic acid	461000.00	565000.00	496000.00	531000.00	365000.00	351000.00	373000.00	515000.00	1800000.00	1220000.00	1190000.00	1700000.00	1700000.00	1810000.00	1330000.00	1560000.00	1620000.00	1750000.00	1730000.00	931000.00	1290000.00	1420000.00	1150000.00	1580000.00	1400000.00	1280000.00	1080000.00	1490000.00	658000.00	1150000.00	1220000.00	1610000.00	1810000.00
CoA	413000.00	318000.00	153000.00	246000.00	273000.00	182000.00	448000.00	411000.00	204000.00	272000.00	190000.00	210000.00	167000.00	86200.00	321000.00	264000.00	175000.00	229000.00	254000.00	275000.00	208000.00	394000.00	394000.00	162000.00	153000.00	57100.00	101000.00	110000.00	184000.00	115000.00	148000.00	94600.00	80000.00
NADP	22300.00	15700.00	18400.00	22300.00	30500.00	19900.00	25800.00	30400.00	16200.00	15600.00	31800.00	25000.00	10500.00	27200.00	28600.00	29700.00	22800.00	14300.00	24200.00	13000.00	34400.00	22800.00	20300.00	41600.00	6170.00	32200.00	33500.00	12500.00	24300.00	35500.00	13300.00	6700.00	25900.00
cis-aconitic acid	1190000.00	1160000.00	1040000.00	918000.00	1140000.00	980000.00	675000.00	1350000.00	1160000.00	931000.00	462000.00	1020000.00	713000.00	1170000.00	981000.00	1070000.00	998000.00	986000.00	1070000.00	1660000.00	683000.00	520000.00	855000.00	797000.00	998000.00	699000.00	456000.00	930000.00	984000.00	387000.00	476000.00	679000.00	1050000.00
Benzoic acid	1570000.00	1930000.00	2160000.00	2020000.00	1440000.00	2120000.00	1920000.00	2280000.00	3980000.00	3740000.00	3460000.00	4350000.00	2510000.00	3330000.00	4010000.00	4250000.00	4380000.00	4290000.00	3870000.00	3750000.00	3390000.00	3350000.00	4170000.00	4220000.00	2900000.00	4190000.00	2850000.00	4400000.00	2880000.00	4000000.00	3490000.00	3920000.00	3960000.00
Citric acid	535000.00	379000.00	432000.00	288000.00	537000.00	338000.00	313000.00	396000.00	352000.00	267000.00	214000.00	376000.00	290000.00	406000.00	374000.00	446000.00	465000.00	411000.00	522000.00	423000.00	305000.00	225000.00	282000.00	338000.00	394000.00	292000.00	226000.00	376000.00	427000.00	221000.00	177000.00	327000.00	355000.00
Pseudouridine	796000.00	583000.00	574000.00	634000.00	585000.00	563000.00	554000.00	684000.00	646000.00	558000.00	550000.00	649000.00	522000.00	674000.00	595000.00	619000.00	515000.00	645000.00	536000.00	1730000.00	544000.00	614000.00	678000.00	665000.00	588000.00	813000.00	616000.00	732000.00	669000.00	591000.00	671000.00	666000.00	783000.00
Anandamide	50100.00	46100.00	49700.00	40700.00	41800.00	35400.00	51900.00	42400.00	29300.00	33900.00	39000.00	39400.00	52100.00	30400.00	33400.00	26400.00	33100.00	40400.00	35000.00	12300.00	41400.00	37100.00	38300.00	43100.00	27500.00	43700.00	25500.00	25300.00	31900.00	47000.00	34400.00	25000.00	35300.00
Dimethyl-L-arginine	21300000.00	15200000.00	16200000.00	16200000.00	17300000.00	17800000.00	19300000.00	17200000.00	28100000.00	21400000.00	16700000.00	28400000.00	27900000.00	12900000.00	26800000.00	32500000.00	15400000.00	27700000.00	26900000.00	3900000.00	23000000.00	22000000.00	29800000.00	14800000.00	17300000.00	20500000.00	18300000.00	24600000.00	21000000.00	13200000.00	21000000.00	27700000.00	26200000.00
Creatinine	312000000.00	287000000.00	294000000.00	324000000.00	300000000.00	286000000.00	284000000.00	285000000.00	242000000.00	236000000.00	249000000.00	245000000.00	267000000.00	240000000.00	283000000.00	283000000.00	239000000.00	289000000.00	259000000.00	250000000.00	292000000.00	277000000.00	254000000.00	313000000.00	309000000.00	284000000.00	307000000.00	245000000.00	303000000.00	271000000.00	300000000.00	275000000.00	293000000.00
L-Proline	55000000.00	64900000.00	65300000.00	63800000.00	92700000.00	87800000.00	92600000.00	72700000.00	99500000.00	87800000.00	68400000.00	93200000.00	65600000.00	102000000.00	87700000.00	79500000.00	107000000.00	104000000.00	110000000.00	36300000.00	96700000.00	87400000.00	111000000.00	78200000.00	72200000.00	91900000.00	85500000.00	105000000.00	66000000.00	82000000.00	90500000.00	88800000.00	79400000.00
Hydroxyproline	4420000.00	4090000.00	4420000.00	5140000.00	3860000.00	4450000.00	3890000.00	4610000.00	5040000.00	6100000.00	4220000.00	5270000.00	5820000.00	4680000.00	5190000.00	5080000.00	5910000.00	6480000.00	5520000.00	1630000.00	5410000.00	5070000.00	6700000.00	6370000.00	3880000.00	7610000.00	6820000.00	8990000.00	4410000.00	6610000.00	9630000.00	5820000.00	6100000.00
1-Pyrroline-5-carboxylic acid	460000.00	167000.00	416000.00	355000.00	402000.00	385000.00	384000.00	295000.00	356000.00	481000.00	410000.00	290000.00	481000.00	455000.00	472000.00	330000.00	347000.00	529000.00	515000.00	240000.00	297000.00	370000.00	498000.00	403000.00	309000.00	502000.00	573000.00	508000.00	361000.00	439000.00	604000.00	551000.00	436000.00
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
Isovalerylglycine			546304
Methylsuccinic acid			10349	C08645
Suberic acid			10457	C08278
Phenylacetylglutamine			92258	C04148
Indoxyl sulfate			10258
Pyroglutamic acid			7405	C01879
Arginine			6322	C00062
Uric acid			1175	C00366
Docosahexaenoic acid			445580	C06429
Adipic acid			196	C06104
Hippuric acid			464	C01586
CL(18:2/18:2/18:2/18:1)
PA(18:1/18:1)			14057128	C00416
PA(16:0/16:0)			446066	C00416
SM(d18:1/20:0 OH)
CL(18:2/18:2/18:2/18:2)			5283539
Cortisone			222786	C00762
CL(18:2/18:2/18:2/16:1)
CL(18:2/18:2/18:1/18:1)			53480370
SM(d18:1/20:2 OH)
PA(16:1/18:1)
SM(d18:1/16:2 OH)
SM(d18:1/18:2 OH)
SM(d18:1/16:1 OH)
PA(16:0/16:1)
SM(d18:1/18:1)
SM(d18:1/20:1 OH)
SM(d18:1/16:0)			5283590	C00550
SM(d18:1/18:0)			5283588	C00550
SM(d18:1/18:1 OH)
CL(18:2/18:2/16:1/16:1)
SM(d18:1/16:1)
SM(d18:1/18:0 OH)
SM(d18:1/22:1)
PE(34:2)			9546747	C00350
PE(36:2)			9546749	C00350
PE(20:4/p18:0)
PE(22:6/p16:0)
PE(36:4)			9546800	C00350
PE(20:4/18:1)			52924645	C00350
PE(p16:0/20:4)
PE(p18:0/22:6)
Eicosapentaenoic acid			446284	C06428
Arachidonic acid			444899	C00219
PGF2alpha
SM(d18:1/20:0)			44260124	C00550
Oleic acid			445639	C00712
Linoleic acid			5280450	C01595
12-HETE			5312983
20-HETE			5283157	C14748
5-HETE			5280733	C04805
2-Pyrocatechuic acid			19	C00196
14,15-Epoxy-5,8,11-eicosatrienoic acid			5283205	C14771
Glycerol			753	C00116
PI(40:5)
PI(38:5)
PI(36:4)
PI(16:0/16:0)				C00626
PI(36:1)
Uracil			1174	C00106
PS(18:0/18:1)			59720717	C02737
Taurodeoxycholic acid			2733768	C05463
4-Pyridoxic acid			6723	C00847
Hydroxyisocaproic acid			83697
Chenodeoxycholic acid			10133	C02528
Deoxycholic acid			222528	C04483
Uridine			6029	C00299
Glycocholic acid			23617285	C01921
Nicotinic acid			938	C00253
p-Aminobenzoic acid			978	C00568
L-Lactic acid			107689	C00186
Pantothenic acid			988	C00864
Kynurenic acid			3845	C01717
Taurine			1123	C00245
Homovanillic acid			1738	C05582
Camp			6076	C00575
Allantoin			204	C01551
Glucose			5793	C00031
L-Threonine			6288	C00188
2,3-Diphosphoglyceric acid			186004	C01159
Citrulline			9750	C00327
Hypoxanthine			790	C00262
S-Adenosylhomocysteine			439155	C00021
Allantoic acid			203	C00499
Myoinositol				C00137
Inosine			6021	C00294
NAD			5893	C00003
Gamma-glutamyl-Alanine
L-Aspartic acid			5960	C00049
Guanosine			6802	C00387
Orotic acid			967	C00295
Xanthosine			64959	C01762
L-Cystine			67678	C00491
Glutathione			124886	C00051
N-acetyl-L-aspartic acid			65065	C01042
Glycerol 3-phosphate			439162	C00093
Succinic acid			1110	C00042
Fructose 6-phosphate			69507	C00085
Malic acid			222656	C00149
Azelaic acid			2266	C08261
Oxaloacetic acid			970	C00036
Ascorbic acid			54670067	C00072
Pyrophosphate			644102	C00013
Glyceraldehyde 3-phosphate			3418	C00118
Quinolinic acid			1066	C03722
CoA			6816	C00010
NADP			5886	C00006
cis-aconitic acid			643757	C00417
Benzoic acid			243	C00180
Citric acid			311	C00158
Pseudouridine			15047	C02067
Anandamide			5281969	C11695
Dimethyl-L-arginine			123831	C03626
Creatinine			588	C00791
L-Proline			145742	C00148
Hydroxyproline			5810	C01157
1-Pyrroline-5-carboxylic acid			1196	C04322
METABOLITES_END
#END