#METABOLOMICS WORKBENCH juliehaines_20220622_115233 DATATRACK_ID:3314 STUDY_ID:ST002213 ANALYSIS_ID:AN003620 PROJECT_ID:PR001414
VERSION             	1
CREATED_ON             	July 8, 2022, 5:01 pm
#PROJECT
PR:PROJECT_TITLE                 	Metabolic changes in Alzheimer patient-derived induced neurons and the effects
PR:PROJECT_TITLE                 	of PKM2 modulation and hypoxia on their metabolic landscape
PR:PROJECT_SUMMARY               	We have obtained fibroblast cultures from old adult human non-demented control
PR:PROJECT_SUMMARY               	donors and Alzheimer patients (AD). The fibroblasts were reprogrammed into
PR:PROJECT_SUMMARY               	directly induced neurons (iNs) to serve as an adult-like and age-equivalent
PR:PROJECT_SUMMARY               	model for aging and neurodegeneration. Metabolomic landscape and glucose flux in
PR:PROJECT_SUMMARY               	control versus AD were assessed. Additionally, their response to PKM2 modulation
PR:PROJECT_SUMMARY               	(shikonin 10 µM or PKM2 overexpression) and hypoxia (CoDo treatment) were
PR:PROJECT_SUMMARY               	assessed.
PR:INSTITUTE                     	University of Colorado Denver
PR:LABORATORY                    	Lab of Angelo D'Alessandro in collaboration with lab of Jerome Mertens (Univ of
PR:LABORATORY                    	Innsbruck)
PR:LAST_NAME                     	Haines
PR:FIRST_NAME                    	Julie
PR:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
PR:EMAIL                         	julie.haines@cuanschutz.edu
PR:PHONE                         	3037243339
#STUDY
ST:STUDY_TITLE                   	Metabolic changes in Alzheimer patient-derived induced neurons and the effects
ST:STUDY_TITLE                   	of PKM2 modulation and hypoxia on their metabolic landscape
ST:STUDY_SUMMARY                 	We have obtained fibroblast cultures from old adult human non-demented control
ST:STUDY_SUMMARY                 	donors and Alzheimer patients (AD). The fibroblasts were reprogrammed into
ST:STUDY_SUMMARY                 	directly induced neurons (iNs) to serve as an adult-like and age-equivalent
ST:STUDY_SUMMARY                 	model for aging and neurodegeneration. Metabolomic landscape and glucose flux in
ST:STUDY_SUMMARY                 	control versus AD were assessed. Additionally, their response to PKM2 modulation
ST:STUDY_SUMMARY                 	(shikonin 10 µM or PKM2 overexpression) and hypoxia (CoDo treatment) were
ST:STUDY_SUMMARY                 	assessed.
ST:INSTITUTE                     	University of Colorado Denver
ST:LAST_NAME                     	Haines
ST:FIRST_NAME                    	Julie
ST:ADDRESS                       	12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA
ST:EMAIL                         	julie.haines@cuanschutz.edu
ST:PHONE                         	3037243339
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	50-90 yrs
#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           	-	Control3	Condition:Non-demented control	RAW_FILE_NAME=3
SUBJECT_SAMPLE_FACTORS           	-	AD6	Condition:Alzheimer patient	RAW_FILE_NAME=6
SUBJECT_SAMPLE_FACTORS           	-	AD7	Condition:Alzheimer patient	RAW_FILE_NAME=7
SUBJECT_SAMPLE_FACTORS           	-	Control9	Condition:Non-demented control	RAW_FILE_NAME=9
SUBJECT_SAMPLE_FACTORS           	-	AD2	Condition:Alzheimer patient	RAW_FILE_NAME=10
SUBJECT_SAMPLE_FACTORS           	-	Control2	Condition:Non-demented control	RAW_FILE_NAME=11
SUBJECT_SAMPLE_FACTORS           	-	AD8	Condition:Alzheimer patient	RAW_FILE_NAME=14
SUBJECT_SAMPLE_FACTORS           	-	Control10	Condition:Non-demented control	RAW_FILE_NAME=15
SUBJECT_SAMPLE_FACTORS           	-	AD11	Condition:Alzheimer patient	RAW_FILE_NAME=17
SUBJECT_SAMPLE_FACTORS           	-	Control11	Condition:Non-demented control	RAW_FILE_NAME=18
SUBJECT_SAMPLE_FACTORS           	-	AD10	Condition:Alzheimer patient	RAW_FILE_NAME=19
SUBJECT_SAMPLE_FACTORS           	-	AD1	Condition:Alzheimer patient	RAW_FILE_NAME=20
SUBJECT_SAMPLE_FACTORS           	-	Control7	Condition:Non-demented control	RAW_FILE_NAME=22
SUBJECT_SAMPLE_FACTORS           	-	AD3	Condition:Alzheimer patient	RAW_FILE_NAME=23
SUBJECT_SAMPLE_FACTORS           	-	Control8	Condition:Non-demented control	RAW_FILE_NAME=24
SUBJECT_SAMPLE_FACTORS           	-	AD5	Condition:Alzheimer patient	RAW_FILE_NAME=25
SUBJECT_SAMPLE_FACTORS           	-	Control6	Condition:Non-demented control	RAW_FILE_NAME=27
SUBJECT_SAMPLE_FACTORS           	-	Control4	Condition:Non-demented control	RAW_FILE_NAME=29
SUBJECT_SAMPLE_FACTORS           	-	Control8 media	Condition:non-demented control	RAW_FILE_NAME=31
SUBJECT_SAMPLE_FACTORS           	-	Control6 media	Condition:non-demented control	RAW_FILE_NAME=32
SUBJECT_SAMPLE_FACTORS           	-	AD6 media	Condition:Alzheimer patient	RAW_FILE_NAME=33
SUBJECT_SAMPLE_FACTORS           	-	AD3 media	Condition:Alzheimer patient	RAW_FILE_NAME=35
SUBJECT_SAMPLE_FACTORS           	-	AD7 media	Condition:Alzheimer patient	RAW_FILE_NAME=36
SUBJECT_SAMPLE_FACTORS           	-	Control9 media	Condition:non-demented control	RAW_FILE_NAME=38
SUBJECT_SAMPLE_FACTORS           	-	AD2 media	Condition:Alzheimer patient	RAW_FILE_NAME=39
SUBJECT_SAMPLE_FACTORS           	-	Control2 media	Condition:non-demented control	RAW_FILE_NAME=40
SUBJECT_SAMPLE_FACTORS           	-	Control10 media	Condition:non-demented control	RAW_FILE_NAME=44
SUBJECT_SAMPLE_FACTORS           	-	AD11 media	Condition:Alzheimer patient	RAW_FILE_NAME=46
SUBJECT_SAMPLE_FACTORS           	-	Control11 media	Condition:non-demented control	RAW_FILE_NAME=47
SUBJECT_SAMPLE_FACTORS           	-	AD10 media	Condition:Alzheimer patient	RAW_FILE_NAME=48
SUBJECT_SAMPLE_FACTORS           	-	AD1 media	Condition:Alzheimer patient	RAW_FILE_NAME=49
SUBJECT_SAMPLE_FACTORS           	-	Control7 media	Condition:non-demented control	RAW_FILE_NAME=51
SUBJECT_SAMPLE_FACTORS           	-	AD5 media	Condition:Alzheimer patient	RAW_FILE_NAME=52
SUBJECT_SAMPLE_FACTORS           	-	AD8 media	Condition:Alzheimer patient	RAW_FILE_NAME=53
SUBJECT_SAMPLE_FACTORS           	-	Control4 media	Condition:non-demented control	RAW_FILE_NAME=55
SUBJECT_SAMPLE_FACTORS           	-	Control3 media	Condition:non-demented control	RAW_FILE_NAME=56
#COLLECTION
CO:COLLECTION_SUMMARY            	For Metabolome, iNs were flow cytometry-isolated 21 days of conversion. iNs were
CO:COLLECTION_SUMMARY            	sorted based on the expression of the PSA-NCAM surface markers using PSA-NCAM-PE
CO:COLLECTION_SUMMARY            	(Miltenyi) and re-plated on Geltrex-coated wells. The following day, iNs were
CO:COLLECTION_SUMMARY            	treated with 2.5 mM DGlucose-C13 for 6 hours and harvested using Tryple.
CO:COLLECTION_SUMMARY            	Supernatant and cell pellets were shock frozen in liquid nitrogen.
CO:SAMPLE_TYPE                   	Biopsy
#TREATMENT
TR:TREATMENT_SUMMARY             	After two weeks of conversion, cells were treated for 10 days with shikonin (10
TR:TREATMENT_SUMMARY             	µM, ChemCruz) before FACS sorting. Control iNs were FACS-sorted and plated on
TR:TREATMENT_SUMMARY             	Geltrex-coated wells before transduction with pLVXTP-EGFP-PKM2 or pLVXTP-EGFP.
TR:TREATMENT_SUMMARY             	Around 60 % of all neurons were successfully transduced. Five days after
TR:TREATMENT_SUMMARY             	transduction, iNs were harvested for MS-analysis. Alternatively, cells were
TR:TREATMENT_SUMMARY             	treated with CoDo for 6 hours before harvest.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites from frozen cell pellets were extracted at 1e6 cells/mL in cold
SP:SAMPLEPREP_SUMMARY            	5:3:2 MeOH:acetonitrile:water. Metabolites from supernatant samples (10 uL) were
SP:SAMPLEPREP_SUMMARY            	extracted with 240 uL of the above extraction solution. Samples were vortexed 30
SP:SAMPLEPREP_SUMMARY            	min at 4 degrees C then supernatants clarified by centrifugation (10 min, 10,000
SP:SAMPLEPREP_SUMMARY            	g, 4 degrees C).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Negative C18 media
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex kinetex C18 2.1 x 150 mm, 1.7 um
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Resolution 70,000, scan range 65-900 m/z, maximum injection time 200 ms,
MS:MS_COMMENTS                   	microscans 2, automatic gain control (AGC) 3 x 10^6 ions, source voltage 4.0 kV,
MS:MS_COMMENTS                   	capillary temperature 320 C, and sheath gas 45, auxiliary gas 15, and sweep gas
MS:MS_COMMENTS                   	0 (all nitrogen). Data converted to mzXML using RawConverter. Metabolites were
MS:MS_COMMENTS                   	annotated and integrated using Maven in conjunction with the KEGG database.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	Control7	Control4	Control10	Control2	Control3	Control6	Control8	Control9	Control11	AD3	AD5	AD2	AD7	AD8	AD1	AD10	AD11
Factors	Condition:Non-demented control	Condition:Non-demented control	Condition:Non-demented control	Condition:Non-demented control	Condition:Non-demented control	Condition:Non-demented control	Condition:Non-demented control	Condition:Non-demented control	Condition:Non-demented control	Condition:Alzheimer patient	Condition:Alzheimer patient	Condition:Alzheimer patient	Condition:Alzheimer patient	Condition:Alzheimer patient	Condition:Alzheimer patient	Condition:Alzheimer patient	Condition:Alzheimer patient
ATP	4724.67	86879.30	2181532.00	94712.52	4707.84	11600.91	6686.72	1413993.00	859528.50	9021.15	500634.80	633389.10	50282.93	8747168.00	3802767.00	765208.90	2605640.00
ADP	2877.61	20400.57	527749.40	884504.00	2169.75	3289.00	2425.85	1461066.00	1665730.00	2680.63	1015092.00	845589.80	75213.41	3581236.00	4136003.00	1617848.00	1560009.00
AMP	32146.60	276508.00	71342.84	821114.80	2014.00	1087.93	24400.17	470518.00	2861932.00	14215.85	1789795.00	510665.70	86200.74	706005.10	1387938.00	808720.20	827794.20
Adenine	4465604.00	120195.20	178379.70	148893.40	4470188.00	4903620.00	4395732.00	177150.20	164455.40	4417254.00	128955.10	145778.70	166784.60	158563.60	119075.90	157372.40	153709.70
GTP	2213.92	5141.90	403155.60	8826.38	0.00	847.75	4520.49	247662.10	113459.90	7634.95	62200.53	26555.81	20572.49	671238.70	360998.90	140719.60	367208.50
GDP	0.00	330.07	141959.90	289427.40	461.94	0.00	413.41	355201.80	385836.40	4423.64	262414.10	180906.70	36827.69	395423.80	604052.00	366356.90	284024.50
Guanosine	3264.73	201702.50	225873.70	326096.60	3664.62	3899.70	5043.40	143687.50	68202.37	3689.37	1028699.00	2686936.00	191097.40	192829.40	112409.80	7615.93	715675.60
Guanine	0.00	80270.91	173221.10	147336.20	35091.25	0.00	39090.05	151406.90	90776.60	0.00	488641.50	487616.20	170237.70	116875.60	151448.20	39008.69	244101.10
dCMP	5989.68	38977.28	108108.20	7441.53	6301.57	8656.90	4798.39	53308.38	30917.79	14629.27	191191.90	37890.05	12486.58	139552.00	102458.10	15761.27	76701.79
Cytidine	5234.14	975546.60	126712.60	231680.20	421.68	8435.04	7294.44	178701.30	339114.40	7217.68	1382990.00	2172466.00	54890.55	716413.70	498061.40	80093.38	1019658.00
UTP	7721.17	18494.35	2995847.00	241394.20	18705.38	11028.80	12536.82	1543917.00	630710.20	25567.46	621600.40	1284078.00	1093146.00	4716570.00	1776092.00	726352.50	4351989.00
UDP	26430.65	102859.20	822499.80	2364006.00	27538.31	4023.90	33448.87	1566445.00	1210276.00	5360.82	850030.00	1511050.00	718821.00	2185427.00	1885976.00	1888122.00	2435614.00
UMP	0.00	304171.80	418670.20	3898052.00	0.00	0.00	0.00	745102.00	1200166.00	0.00	4060899.00	2193598.00	1213144.00	491199.50	818415.50	537777.70	1006839.00
Uracil	40539.67	4755740.00	4104158.00	647560.90	37732.16	42691.41	41161.40	2400021.00	676646.40	60282.61	4997224.00	6429284.00	2977940.00	493615.10	938386.50	325897.30	4363270.00
IDP	98331.23	1981741.00	5690550.00	2047339.00	282131.60	278464.80	190210.30	6821012.00	2669305.00	66818.85	2350071.00	370417.20	1818828.00	4210808.00	4708514.00	3204081.00	3440802.00
IMP	2282.64	16523.16	28409.66	73106.26	826.95	2760.71	3069.29	37768.58	102400.30	7468.01	82662.71	38866.34	5630.49	78366.59	239147.20	4808.63	40201.44
Inosine	0.00	8235768.00	2795627.00	4529444.00	20129.20	8498.86	20365.73	2005184.00	1239227.00	22508.12	10674030.00	29497060.00	1920394.00	1911217.00	1522955.00	165334.20	11103310.00
Xanthine	68453.29	10657900.00	48794.86	52819.34	13063.81	531.46	29132.88	64906.79	149737.20	13700.72	40151.35	474563.20	52547.09	194728.10	39320.66	17685.20	173044.60
3',5'-Cyclic IMP	522886.00	4852802.00	14971150.00	4391310.00	1338993.00	1487048.00	1052680.00	16972670.00	6092638.00	432694.60	10532760.00	1049604.00	3686786.00	13576010.00	14709430.00	6958210.00	11212050.00
5-6-Dihydrothymine	618612.20	926198.70	622182.70	146911.40	354054.90	369423.00	347851.40	546480.80	346922.30	491050.20	1298789.00	1800526.00	133646.90	941205.50	774779.10	83776.87	1496500.00
UDP-glucose	555.49	411495.80	2658712.00	816329.30	0.00	0.00	0.00	1581823.00	805751.50	1398.26	2249061.00	3537636.00	984061.40	2333747.00	1996340.00	432658.40	2723931.00
ADP-D-ribose	24666.85	53528.89	84985.98	31575.49	22460.69	24173.53	24333.29	115820.20	53642.19	37420.80	1326169.00	497013.10	45897.11	182058.00	145771.10	65445.45	105079.30
Phosphate	2321938.00	188918500.00	173013500.00	228032700.00	6298690.00	4948452.00	4526708.00	210416500.00	201345000.00	1699837.00	156886500.00	101962200.00	192088900.00	163415200.00	153647400.00	224720400.00	147658500.00
Diphosphate	35654.87	32561260.00	24107030.00	42369580.00	39316.80	40534.33	29938.69	29286970.00	36670150.00	41379.86	20497480.00	18084470.00	33104090.00	22400820.00	24017040.00	45827080.00	20004320.00
D-Glucose	7850064.00	1953046.00	242753.20	622589.90	8751523.00	8563389.00	8413130.00	243664.10	134091.30	8001726.00	644854.80	6634106.00	399738.00	7521910.00	2191377.00	777479.20	834253.90
D-Glucose 6-phosphate	2217.96	1449692.00	27827490.00	3762768.00	0.00	752.46	1729.91	22601550.00	8448697.00	0.00	12784830.00	10416160.00	3145034.00	11314850.00	29298900.00	4027789.00	9384139.00
D-Fructose 1-6-bisphosphate	3153.59	1199962.00	4214336.00	347850.30	812.30	1385.47	10539.49	402275.90	219162.40	2172.27	89902140.00	12145050.00	3811272.00	2768534.00	356511.00	130340.40	18989410.00
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	11991560.00	1200224.00	2424290.00	286652.00	12576220.00	10400210.00	11403430.00	302374.00	552861.90	9820090.00	17924580.00	3420866.00	4183004.00	1388501.00	626981.20	472896.10	3892701.00
2-3-Bisphosphoglycerate	2517.90	622186.60	3212280.00	100973.60	2347.28	2789.46	4202.91	1313516.00	616524.10	2608.29	1430875.00	127545.90	543439.10	7746742.00	1351308.00	155422.30	3290171.00
2/3-Phospho-D-glycerate	5692.41	53888760.00	85298720.00	6603740.00	3963.71	3036.73	4447.99	48592320.00	36076220.00	0.00	24818070.00	61616310.00	68030210.00	58961190.00	40502990.00	4915360.00	120301400.00
Phosphoenolpyruvate	380.20	21935410.00	16423520.00	594743.60	657.10	626.08	978.20	10829010.00	9878268.00	407.85	2566918.00	2270060.00	12913980.00	7460154.00	10257370.00	2069626.00	7582788.00
Pyruvate	5403956.00	237126.40	665027.20	241791.60	4810497.00	5415480.00	3975521.00	513524.10	262530.50	5957128.00	2483102.00	1060572.00	586274.40	2357812.00	488193.20	66285.73	1678189.00
Lactate	5671524.00	9384249.00	18996780.00	5279294.00	5098890.00	5964514.00	6418762.00	9710912.00	3418540.00	5878942.00	40041220.00	93889750.00	9477807.00	41708330.00	13390280.00	2436823.00	64376210.00
Mannitol	1077923.00	1388623.00	860619.80	389728.40	1164167.00	1264142.00	1231972.00	754071.50	447355.40	1311609.00	1622906.00	2923740.00	412685.80	1505823.00	965530.60	120854.30	1983656.00
D-Ribose	517544.00	271489.40	282858.20	103458.20	574425.40	644215.10	661876.00	224554.10	106371.00	590328.20	345871.90	420735.00	79822.62	247766.90	227127.80	43075.17	379088.50
Citrate	1662569.00	8086326.00	1046702.00	2009444.00	2219489.00	1971079.00	2627811.00	501161.60	400968.10	1727282.00	551315.30	5204388.00	1165072.00	1081364.00	444364.60	286060.90	3451066.00
2-Oxoglutarate	190928.60	23727.64	214842.80	70342.88	184324.00	133556.40	172541.30	308046.80	60617.61	144340.70	24365.22	33079.84	38614.19	377763.30	639647.90	146499.00	132053.60
Succinate	399829.10	487327.40	378571.20	608720.40	204172.60	297982.10	197814.90	626029.80	415029.00	251465.60	335635.50	818489.30	538086.40	1256676.00	961203.20	279869.70	467147.20
Fumarate	267115.00	977581.10	3064962.00	555941.20	305357.10	277877.80	314257.30	1831375.00	704632.50	284650.20	1568190.00	1899914.00	789115.70	4270648.00	2672923.00	248949.30	4340058.00
Malate	2471288.00	7556742.00	26352270.00	3225373.00	2505742.00	2569724.00	2590494.00	16597480.00	5613238.00	2526195.00	12868200.00	14866660.00	6438414.00	37266380.00	24367980.00	1678048.00	39470200.00
2-Hydroxyglutarate/Citramalate	157819.70	211137.00	536491.10	337245.70	146555.20	138912.20	116338.60	320110.70	172204.90	125098.60	328473.50	557214.80	524103.30	477161.70	335929.10	230904.30	608003.80
6-Phospho-D-gluconate	6354.01	18483890.00	6805660.00	11492560.00	8059.60	3630.76	6043.92	3506125.00	13768770.00	13832.44	11523040.00	45837120.00	3694652.00	37485440.00	9964363.00	1167362.00	23272660.00
D-Erythrose 4-phosphate	749.28	165373.40	191768.20	76747.04	861.63	1554.63	7526.48	46229.32	83246.62	1232.90	423661.80	676124.80	127816.50	468632.00	91303.31	12220.61	504505.30
Sedoheptulose 1-phosphate	26624.08	313093.40	435472.30	185905.20	6205.21	6611.06	8483.86	299381.50	381935.40	25052.73	252635.90	1008988.00	252474.90	1603377.00	312908.60	244503.30	718998.00
alpha-D-Ribose 1-phosphate	10284690.00	10135300.00	7895898.00	4353677.00	9991174.00	10107890.00	11074050.00	3661227.00	5217838.00	11296060.00	6887698.00	10220460.00	11133710.00	8667255.00	3940641.00	2020335.00	10500620.00
5-Phospho-alpha-D-ribose 1-diphosphate	15365.24	66709.73	1149471.00	50138.78	19814.08	24354.74	24983.09	478908.80	313183.10	23127.46	206707.00	11291.05	143969.50	526473.60	388634.60	276421.10	329154.50
Glutathione	16413.59	18484100.00	28821280.00	22107990.00	10041.72	14050.57	15870.22	34402480.00	22329030.00	12937.22	47363070.00	42264240.00	16637840.00	52626190.00	28046170.00	11454540.00	54570960.00
Glutathione disulfide	0.00	20784.46	28000.91	70257.43	0.00	0.00	0.00	32827.11	7625.52	0.00	104183.90	86538.86	109337.30	25349.72	9131.71	11531.14	22440.63
5-Oxoproline	3736924.00	5712888.00	8096504.00	4992468.00	2900519.00	2736757.00	1724973.00	5588787.00	6399560.00	2828335.00	11242460.00	10205810.00	4221068.00	8791035.00	7672808.00	3119780.00	11305170.00
S-Glutathionyl-L-cysteine	39304.01	89996.21	108743.80	687043.70	72404.32	72427.70	63219.79	86128.54	64470.86	64266.93	172483.90	231954.90	161412.10	131678.40	68376.91	10911.52	135304.20
Ascorbate	5554782.00	49955.05	76936.66	31363.24	6091482.00	5878468.00	5878620.00	53200.64	25721.69	6043858.00	45752.30	110728.90	36494.60	55192.45	17555.85	19544.00	148159.60
(5-L-Glutamyl)-L-glutamine	2484.05	361944.30	295448.10	440765.70	0.00	0.00	0.00	241661.10	133781.20	0.00	419529.20	802873.90	232354.40	315470.40	227135.50	15547.86	586261.20
Cystathionine	3915.37	53695.11	101683.60	127135.90	4447.49	3062.27	540.17	123236.90	230730.30	3847.86	249140.70	365943.00	0.00	212653.30	755566.50	72765.04	370826.10
Dimethylglycine	35258.65	363786.70	505265.50	364572.30	24555.08	20259.20	20735.60	363640.90	167993.60	18017.25	701191.90	917849.90	501030.10	625321.50	414863.00	137353.70	554106.90
S-Adenosyl-L-homocysteine	2339076.00	89319.21	11297.73	14462.84	4301073.00	4990428.00	4009472.00	1492.92	110431.20	5284256.00	1229.55	1548.01	19036.61	43354.59	1392.81	1704.57	5724.22
3-Phosphonopyruvate	380.20	21935410.00	16423520.00	594743.60	657.10	626.08	978.20	10829010.00	9878268.00	407.85	2566918.00	2270060.00	12913980.00	7460154.00	10257370.00	2069626.00	7582788.00
N-Glycoloyl-neuraminate	2243.89	54581.13	39378.62	48064.75	3504.79	2022.38	4098.00	16527.93	21832.61	3714.73	18484.87	100184.90	27777.99	61435.75	27267.82	10475.69	47405.66
UDP-N-acetyl-D-glucosamine	2815.78	346215.90	1598181.00	1185384.00	0.00	348.10	0.00	1360940.00	964308.40	0.00	2820169.00	4728224.00	864569.00	2025344.00	1046384.00	337472.20	4924614.00
CMP-N-acetylneuraminate	5280.33	46296.17	67953.85	95766.66	0.00	22169.01	0.00	53223.52	64300.91	27427.58	96737.73	149367.90	84861.20	64562.08	62527.30	32587.03	108293.70
Glycolate	2118677.00	853181.70	502928.50	775751.00	1871277.00	1902104.00	1856390.00	649149.40	595285.80	1868391.00	522723.20	566198.70	545299.20	364530.70	741332.80	695014.30	312344.90
Carnosine	3255.92	169339.10	148209.50	238156.10	0.00	0.00	0.00	203346.00	213492.60	0.00	223958.50	208752.50	24601.97	200201.70	472395.40	137295.00	300342.30
trans-4-Hydroxy-L-proline	14894.06	423465.00	397088.30	215312.90	13717.73	15065.79	6368.10	254284.70	244043.10	27807.02	620744.00	525381.20	150949.00	411136.20	487395.80	106244.20	672856.20
Pantothenol	2490332.00	4856846.00	571772.70	108171.90	2431628.00	2812342.00	2623236.00	2446322.00	3038405.00	2974447.00	6261546.00	5888544.00	611740.70	2489004.00	7983390.00	1934520.00	4419612.00
5-6-Dihydrouracil	114204.40	672256.60	215244.70	138294.80	124251.50	145291.20	156507.40	214865.50	116073.80	182952.00	679264.20	1144058.00	94193.63	459138.50	309571.00	49435.08	671793.90
Pantetheine	5891.07	565846.60	916984.10	412103.60	6045.75	3194.66	6442.48	428582.80	182101.60	8357.61	395848.50	496630.20	964988.20	954892.30	190383.70	113517.40	512392.20
Indole-3-acetaldehyde	3006055.00	2949580.00	2926293.00	1957743.00	3673434.00	3503283.00	3356863.00	3007881.00	1032102.00	3506842.00	3100617.00	3786466.00	2629169.00	2930419.00	1521172.00	491953.50	3808070.00
Indolepyruvate	123034.60	102556.40	302339.00	200098.70	124582.70	112600.60	145466.40	265149.90	104842.00	150653.30	223107.80	532982.40	252698.60	130030.90	67767.45	57695.36	162067.90
N-formyl kynurenine	679773.20	73981.24	120333.00	364396.00	699121.20	715148.40	775952.50	157241.60	303923.70	752803.80	372478.50	303091.20	15389.36	279832.60	518621.20	106841.30	405824.80
g-Oxalo-crotonate	955553.70	83258.52	245920.80	222188.50	1150302.00	1119167.00	1144940.00	197944.00	166793.70	1118947.00	146781.70	94916.19	260272.20	210661.80	67985.91	206552.30	372908.50
Ectoine	92477.65	17331.85	19776.04	18631.50	88658.00	116230.80	74628.98	22819.82	16099.88	103077.90	13151.13	20181.77	19123.96	20181.10	20139.94	23071.99	24186.00
Ethanolamine phosphate	18475.82	2293278.00	514429.80	373905.60	419.35	1039.60	13367.16	505644.80	409513.10	3726.86	2090466.00	3035732.00	145798.10	3599969.00	874415.80	304562.20	2795273.00
N-Methylethanolamine phosphate	1538.74	291643.10	70303.73	135662.80	15340.32	1728.89	16945.98	117460.10	74687.17	13904.32	336091.40	918135.40	54364.89	433648.50	171834.70	40887.02	288486.00
CDP-choline	40159.26	72914.20	53566.36	20986.51	38998.45	30358.58	33868.75	34464.71	22177.29	30925.88	80722.24	89090.77	38840.01	56805.30	50041.32	11131.52	89364.60
Sphinganine 1-phosphate	125193.20	179826.20	150673.80	84097.61	124773.00	170331.80	105177.10	138495.50	129099.00	124102.30	162808.30	115538.50	169472.70	129582.40	164216.10	103006.40	179653.80
Butanoic acid	4969588.00	73269.70	51072.69	65184.27	3725752.00	5260816.00	3932513.00	55893.39	80037.41	5559580.00	61450.83	81510.38	49142.84	66605.44	60668.01	40932.07	43682.05
Heptanoic acid	305905.40	256438.30	226729.30	241983.50	280002.60	265767.90	294307.20	212495.00	230677.90	291032.60	211488.00	411237.50	243200.90	213616.10	259639.40	207619.90	256051.40
Octanoic acid (caprylate)	396277.40	348748.60	285244.80	294396.50	422414.00	419624.90	409950.80	280015.40	339759.20	418723.30	280940.10	412889.00	449763.60	284211.40	305536.00	275060.80	306230.50
Nonanoic acid (pelargonate)	1021148.00	1244593.00	1478754.00	1281244.00	1110398.00	993810.90	974086.70	1261610.00	1238888.00	992168.10	1146221.00	1560871.00	1549153.00	1323938.00	1156690.00	1141823.00	1439726.00
Decanoic acid (caprate)	5408436.00	774049.80	557578.60	629449.30	5258882.00	5370282.00	3380720.00	543127.20	546912.20	6665804.00	736081.80	961063.00	1078271.00	715048.30	865430.70	527140.20	623169.70
Dodecanoic acid	1567233.00	2111208.00	1068397.00	1108035.00	1353243.00	1702871.00	1085698.00	1133720.00	1326570.00	1589655.00	1013624.00	1124445.00	1407648.00	1275821.00	1394957.00	1106675.00	1284679.00
Tetradecanoic acid	3705928.00	8808577.00	5288216.00	8905828.00	2890144.00	6378546.00	2186336.00	4958278.00	8249298.00	4808400.00	5806876.00	8585004.00	11667010.00	6246104.00	10845680.00	5730920.00	8895330.00
Hexadecanoic acid	70385640.00	120878900.00	85628980.00	86056960.00	66812910.00	119032800.00	45806680.00	79848470.00	83404940.00	78765160.00	82803330.00	71900100.00	134117300.00	82007110.00	123793800.00	79187100.00	103151400.00
Octadecanoic acid	60464380.00	91574940.00	79516870.00	37440180.00	51887330.00	85656260.00	50168630.00	72340210.00	61966130.00	58589920.00	78984540.00	45567180.00	93340480.00	59857500.00	95990340.00	53961560.00	80594690.00
Tetradecenoic acid	246555.70	584687.00	365543.80	339725.90	169059.90	496452.20	173933.40	201174.20	1248943.00	449043.80	338443.00	483381.00	828210.80	218678.70	213290.40	247307.60	627818.20
Hexadecenoic acid	1601391.00	20990250.00	4123841.00	23264450.00	1092995.00	4638912.00	1189880.00	3437088.00	13081180.00	3132378.00	5958622.00	13115640.00	15454650.00	3611465.00	3281957.00	6178840.00	16912220.00
Octadecenoic acid	5190120.00	105960400.00	30974540.00	104260400.00	3587695.00	8362350.00	3969901.00	27193550.00	52877420.00	5047512.00	40460520.00	72290560.00	114626400.00	25920410.00	21225480.00	35104150.00	90146730.00
Linoleate	7794570.00	12674560.00	2331681.00	16806300.00	8465271.00	7927700.00	4887432.00	1816342.00	4896656.00	9220291.00	4396348.00	5493532.00	6684030.00	2396142.00	2043600.00	3146435.00	10392650.00
Octadecatrienoic acid	2627242.00	764196.50	81784.12	757667.50	2865484.00	2563710.00	1898444.00	87890.66	241335.50	3061423.00	196233.20	252284.00	311878.30	73174.84	106469.00	177408.40	406613.00
Eicosatetraenoic acid	238727.60	69286850.00	6780128.00	53862620.00	241709.50	197553.20	160312.50	6656712.00	17475960.00	264395.50	12205540.00	26463300.00	18773430.00	5225866.00	4960452.00	9570354.00	40869730.00
Eicosapentaenoic acid	91294.10	16726500.00	2306816.00	14941380.00	96646.75	95701.69	59393.51	1852519.00	3984677.00	166073.80	3352732.00	7835254.00	4268612.00	1578559.00	1664352.00	3985208.00	11836270.00
Docosahexaenoic acid	372494.90	23746580.00	7590266.00	14009120.00	231042.90	147160.80	159997.00	7926586.00	11021540.00	208913.90	10137460.00	9255229.00	9993863.00	4187424.00	7667380.00	8562567.00	26940950.00
Dodecanedioic acid	19043.06	34333.64	24482.80	16294.62	15779.27	17105.79	16546.26	16488.82	11537.95	14979.08	16442.48	212407.90	30307.38	18412.88	7418.56	15068.60	53899.21
(8Z-11Z-14Z)-Icosatrienoic acid	161727.50	9104657.00	1066067.00	10234970.00	140533.20	162174.60	131974.60	1243801.00	2546496.00	152500.80	2963886.00	3681317.00	3194531.00	1212938.00	1045953.00	2470381.00	7191034.00
(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acid	91294.10	16726500.00	2306816.00	14941380.00	96646.75	95701.69	59393.51	1852519.00	3984677.00	166073.80	3352732.00	7835254.00	4268612.00	1578559.00	1664352.00	3985208.00	11836270.00
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	166026.40	22192520.00	6390958.00	17166030.00	126161.60	124408.60	116077.00	6266852.00	10372480.00	199403.90	10300460.00	8920981.00	13324660.00	4417586.00	6321494.00	9259778.00	27350510.00
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanate	33437.82	27895.87	29351.30	24318.24	38809.06	11638.54	29568.26	27162.91	9694.21	30319.71	27744.88	24692.10	7656.82	10046.46	27917.75	27520.26	30098.56
3alpha-12alpha-Dihydroxy-5beta-cholanate	144914.00	129139.50	114581.70	99284.18	129176.60	114581.10	106638.90	100059.70	112049.50	101853.60	112885.30	104924.90	89728.78	123332.70	112701.30	108802.90	110267.80
13(S)-HODE	104629.80	491736.70	117441.10	192816.20	102041.60	107063.00	86905.52	66887.20	99480.66	108458.20	118162.60	930044.10	228495.80	86828.01	61214.46	59449.96	363342.30
9(S)-HODE	44912.30	69110.77	98500.96	136134.90	54627.75	57532.22	41197.04	71446.81	57008.51	58133.05	71301.28	158170.10	97143.90	73448.68	79223.23	49410.82	120013.00
11(R)-HPETE/Leukotriene B4 (isobars)	76617.32	995068.00	275220.00	1030877.00	74579.44	257421.30	65822.62	205546.30	910960.30	187504.00	266603.50	390405.70	1099564.00	172046.10	159806.90	413837.40	710890.70
Prostaglandin A2	20546.29	36348.87	13944.79	20344.97	15810.09	19941.20	16223.14	16511.49	16384.83	15811.96	20078.37	28030.07	22923.42	17227.89	12222.18	15458.71	22603.17
Prostaglandin B2	12166.85	14165.57	10376.67	12731.53	9564.37	12628.25	11570.11	10308.34	14871.43	11538.46	12060.39	18136.29	10778.42	13049.90	11529.30	13411.01	11526.11
Prostaglandin D2/Thromboxane A2 (isobars)	41425.21	48500.53	52416.91	35581.70	36706.00	70016.85	34710.88	47961.31	266598.80	62696.67	34238.19	22625.40	159039.90	20618.13	12637.57	30476.65	25507.53
Prostaglandin E2	462024.10	832612.40	348843.10	566457.80	649779.10	833575.30	257142.20	363643.10	621751.70	638188.40	485874.80	446875.00	926938.50	628555.10	661405.10	612877.40	341146.20
Prostaglandin F2alpha/beta/D1 (isobars)	20474.97	13655.26	18647.66	20689.84	11367.09	13947.33	10249.29	19906.68	21899.41	14185.36	11968.51	17599.76	27884.27	16805.28	11329.06	23182.42	14897.73
Prostaglandin D3 (isobars)	6059.61	82364.79	8832.09	100118.90	1642.93	12590.44	0.00	5735.03	35374.95	19269.66	20951.49	44864.25	35088.65	22475.73	13010.95	15094.50	56249.93
Prostaglandin G2	296891.40	292092.70	225668.30	302670.40	299224.70	300732.60	254669.60	307229.50	275257.40	295401.20	274417.70	248992.00	264910.50	303446.90	265254.70	301317.20	272309.50
Thromboxane B2	0.00	474570.90	176926.50	110256.90	675.44	0.00	1423.06	144553.90	98397.04	0.00	83075.38	446016.30	156783.50	100089.70	60669.67	54019.99	468580.80
Leukotriene A4	3228.13	234678.50	34842.44	39611.35	3011.52	2323.37	0.00	31803.56	32074.17	2060.69	34284.17	347598.20	39101.37	32813.56	26678.39	22994.53	176128.00
Undecanoic acid	436876.70	325555.60	235968.80	268113.10	337703.80	354740.10	248745.50	271571.60	288730.30	399182.70	254196.90	340739.30	278340.60	295609.70	296206.20	280487.40	314969.20
Stearidonic acid	22589.19	54052.02	13055.24	35382.05	13275.55	27920.71	4150.00	9320.27	9347.68	14441.90	16953.68	15573.76	20851.20	9924.42	9760.33	13507.59	33404.27
trans-9-Octadecenoic acid	5190120.00	105960400.00	30974540.00	104260400.00	3587695.00	8362350.00	3969901.00	27193550.00	52877420.00	5047512.00	40460520.00	72290560.00	114626400.00	25920410.00	21225480.00	35104150.00	90146730.00
Docosatetraenoic acid	150942.30	4601724.00	906427.90	5922258.00	110950.00	149887.50	83452.29	979249.40	1854594.00	194779.80	1314156.00	1958494.00	3615665.00	682774.40	1076468.00	1811594.00	4930608.00
(15Z)-Tetracosenoic acid	193520.30	212615.90	1779.27	6249.91	266405.20	5256.08	72922.48	52899.34	76303.98	199119.60	251178.60	120678.10	3252.87	134772.00	200425.70	103900.40	2616.83
N1-Acetylspermine	16045.56	80185.16	34379.86	87413.77	15781.22	53067.96	13995.07	30464.90	54111.80	31934.37	50660.56	82369.12	78439.76	30369.73	30139.92	30400.46	80806.18
Ferric gluconate	489738.70	864.30	3808.57	0.00	88754.66	122944.70	67208.66	0.00	2419.80	94820.02	0.00	0.00	1730.53	2757.99	0.00	1648.23	1871.07
D-Alanyl-alanyl-poly(glycerolphosphate)	177729.10	359486.90	329206.00	296443.10	249920.30	187267.60	186266.80	259077.40	292217.30	273425.00	217464.80	241230.50	245309.60	293737.90	241395.70	182444.30	375076.10
Vanillate	29568.08	58634.16	45326.91	42158.82	37883.53	28952.12	25030.44	69575.27	54786.55	37386.17	28553.13	41513.65	51351.28	55289.59	33429.11	29256.97	57082.52
N-Acetylmethionine	45934.32	4099631.00	1248594.00	748828.80	22480.70	40206.11	39545.75	1149112.00	2308052.00	26236.19	5693700.00	6036134.00	295569.70	5365929.00	4304242.00	268058.50	7640672.00
10-Hydroxydecanoic acid	61305.05	45635.92	47735.31	32423.49	52719.82	31289.49	41965.42	43039.27	38182.89	42999.60	33290.65	52339.04	65420.04	40937.69	29087.85	41860.60	58073.60
Oxalosuccinate	90740.59	123661.40	81994.46	120681.70	90539.00	195523.00	178021.10	119765.80	95749.12	142804.20	219981.60	79708.99	36102.93	223401.80	108323.70	104377.00	153104.40
N-Carbamyl-L-glutamate	822338.80	535377.70	367982.40	175285.30	522772.20	658689.10	688489.30	253337.50	566083.70	567235.10	308246.20	286498.90	354285.40	199349.90	770018.20	252749.80	265398.90
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	mz	r.t.
ATP	C00002	505.9848	0.65
ADP	C00008	426.0224	0.54
AMP	C00020	346.0539	0.61
Adenine	C00147	134.0459	0.66
GTP	C00044	521.9797	0.74
GDP	C00035	442.0167	0.59
Guanosine	C00387	282.0845	0.87
Guanine	C00242	150.0397	0.66
dCMP	C00239	306.0504	0.62
Cytidine	C00475	242.0782	0.61
UTP	C00075	482.9577	0.62
UDP	C00015	402.9960	0.56
UMP	C00105	323.0281	0.60
Uracil	C00106	111.0185	0.69
IDP	C00104	427.0037	0.56
IMP	C00130	347.0402	1.01
Inosine	C00294	267.0742	0.67
Xanthine	C00385	151.0249	0.62
3',5'-Cyclic IMP	C00943	329.0296	0.56
5-6-Dihydrothymine	C00906	127.0500	0.63
UDP-glucose	C00029	565.0464	0.55
ADP-D-ribose	C01882	558.0600	0.69
Phosphate	C00009	96.9681	0.61
Diphosphate	C00013	176.9343	0.60
D-Glucose	C00031	179.0550	0.66
D-Glucose 6-phosphate	C02965	259.0219	0.57
D-Fructose 1-6-bisphosphate	C00354	338.9886	0.50
D-Glyceraldehyde 3-phosphate/Glycerone phosphate	C00118	168.9887	0.62
2-3-Bisphosphoglycerate	C03339	264.9510	0.58
2/3-Phospho-D-glycerate	C00631	184.9845	0.55
Phosphoenolpyruvate	C00074	166.9740	0.55
Pyruvate	C00022	87.0072	0.64
Lactate	C01432	89.0229	0.63
Mannitol	C00392	181.0691	0.65
D-Ribose	C00121	149.0453	0.63
Citrate	C00158	191.0187	0.60
2-Oxoglutarate	C00026	145.0129	0.56
Succinate	C00042	117.0178	0.57
Fumarate	C00122	115.0022	0.59
Malate	C00149	133.0128	0.59
2-Hydroxyglutarate/Citramalate	C02630	147.0282	0.56
6-Phospho-D-gluconate	C00345	275.0168	0.60
D-Erythrose 4-phosphate	C00279	199.0036	0.58
Sedoheptulose 1-phosphate	C06222	289.0348	0.62
alpha-D-Ribose 1-phosphate	C00620	229.0112	0.60
5-Phospho-alpha-D-ribose 1-diphosphate	C00119	388.9413	0.64
Glutathione	C00051	306.0779	0.65
Glutathione disulfide	C00127	611.1441	0.55
5-Oxoproline	C01879	128.0340	0.62
S-Glutathionyl-L-cysteine	C05526	425.0801	0.60
Ascorbate	C00072	175.0237	0.57
(5-L-Glutamyl)-L-glutamine	C05283	274.1045	0.64
Cystathionine	C00542	221.0617	0.66
Dimethylglycine	C01026	102.0545	0.62
S-Adenosyl-L-homocysteine	C00021	383.1155	1.90
3-Phosphonopyruvate	C02798	166.9740	0.54
N-Glycoloyl-neuraminate	C03410	324.0950	0.78
UDP-N-acetyl-D-glucosamine	C00043	606.0742	0.53
CMP-N-acetylneuraminate	C00128	613.1364	0.59
Glycolate	C00160	75.0072	0.67
Carnosine	C00386	225.0988	0.66
trans-4-Hydroxy-L-proline	C01157	130.0497	0.64
Pantothenol	C00864	218.1026	0.64
5-6-Dihydrouracil	C00429	113.0342	0.63
Pantetheine	C00831	277.1249	1.82
Indole-3-acetaldehyde	C00637	158.0599	1.91
Indolepyruvate	C00331	202.0481	0.69
N-formyl kynurenine	C02700	235.0749	0.65
g-Oxalo-crotonate	C03453	157.0112	0.66
Ectoine	C06231	141.0654	1.79
Ethanolamine phosphate	C00346	140.0102	0.58
N-Methylethanolamine phosphate	C01210	154.0249	0.60
CDP-choline	C00307	487.1005	1.11
Sphinganine 1-phosphate	C01120	380.2545	3.42
Butanoic acid	C00246	87.0436	0.67
Heptanoic acid	C17714	129.0907	1.70
Octanoic acid (caprylate)	C06423	143.1064	1.74
Nonanoic acid (pelargonate)	C01601	157.1221	1.98
Decanoic acid (caprate)	C01571	171.1379	2.11
Dodecanoic acid	C02679	199.1694	2.31
Tetradecanoic acid	C06424	227.2009	2.54
Hexadecanoic acid	C00249	255.2325	2.90
Octadecanoic acid	C01530	283.2638	3.41
Tetradecenoic acid	C08322	225.1854	2.35
Hexadecenoic acid	C08362	253.2169	2.58
Octadecenoic acid	C00712	281.2482	2.93
Linoleate	C01595	279.2326	2.63
Octadecatrienoic acid	C06427	277.2171	2.44
Eicosatetraenoic acid	C00219	303.2325	2.53
Eicosapentaenoic acid	C06428	301.2172	2.38
Docosahexaenoic acid	C06429	327.2328	2.44
Dodecanedioic acid	C02678	229.1441	1.69
(8Z-11Z-14Z)-Icosatrienoic acid	C03242	305.2482	2.70
(5Z-8Z-11Z-14Z-17Z)-Icosapentaenoic acid	C06428	301.2172	2.38
(7Z-10Z-13Z-16Z-19Z)-Docosa-7-10-13-16-19-pentaenoic acid	C16513	329.2483	2.55
3alpha-7alpha-12alpha-Trihydroxy-5beta-cholanate	C00695	407.2826	2.08
3alpha-12alpha-Dihydroxy-5beta-cholanate	C04483	391.2878	2.27
13(S)-HODE	C14762	295.2275	2.16
9(S)-HODE	C14767	295.2275	2.27
11(R)-HPETE/Leukotriene B4 (isobars)	C14820	335.2202	2.58
Prostaglandin A2	C05953	333.2095	1.73
Prostaglandin B2	C05954	333.2096	2.01
Prostaglandin D2/Thromboxane A2 (isobars)	C00696	351.2201	1.92
Prostaglandin E2	C00584	351.2206	2.90
Prostaglandin F2alpha/beta/D1 (isobars)	C00639	353.2303	2.16
Prostaglandin D3 (isobars)	C13802	349.2047	2.58
Prostaglandin G2	C05956	367.2138	2.18
Thromboxane B2	C05963	369.2279	1.72
Leukotriene A4	C00909	317.2126	2.08
Undecanoic acid	C17715	185.1538	2.20
Stearidonic acid	C16300	275.2013	2.33
trans-9-Octadecenoic acid	C01712	281.2481	2.93
Docosatetraenoic acid	C16527	331.2638	2.78
(15Z)-Tetracosenoic acid	C08323	365.3423	2.20
N1-Acetylspermine	C02567	243.2233	2.70
Ferric gluconate	C13511	194.0469	1.82
D-Alanyl-alanyl-poly(glycerolphosphate)	C04457	313.0782	2.11
Vanillate	C06672	167.0353	2.23
N-Acetylmethionine	C02712	190.0525	0.64
10-Hydroxydecanoic acid	C02774	187.1330	1.71
Oxalosuccinate	C05379	189.0064	3.80
N-Carbamyl-L-glutamate	C05829	189.0488	0.62
METABOLITES_END
#END