#METABOLOMICS WORKBENCH STUDY_ID:ST000154 ANALYSIS_ID:AN000245 PROJECT_ID:PR000129
VERSION             	1
CREATED_ON          	01-15-2019
#PROJECT
PR:PROJECT_TITLE                 	Metabolic effects of Noxa
PR:PROJECT_SUMMARY               	labeled glutamine metabolomics on Noxa expressing cells
PR:INSTITUTE                     	University of Minnesota
PR:DEPARTMENT                    	Masonic Cancer Center
PR:LABORATORY                    	Kelekar Lab
PR:LAST_NAME                     	Kelekar
PR:FIRST_NAME                    	Ameeta
PR:ADDRESS                       	420 Delaware Street SE,Minneapolis, MN 55455
PR:EMAIL                         	ameeta@umn.edu
PR:PHONE                         	612-626-2358
PR:DOI                           	http://dx.doi.org/10.21228/M85C7W
#STUDY
ST:STUDY_TITLE                   	Use of Aspartate Dehydrogenase by cancer cells
ST:STUDY_SUMMARY                 	The human acute lymphoblastic leukemia cell line (Jurkat) was used to isolate a
ST:STUDY_SUMMARY                 	clones based on Noxa expression. JP6 is low Noxa, JP3 is high Noxa. Furthermore,
ST:STUDY_SUMMARY                 	a Noxa expressing plasmid was tranfected and stable clones were selected for a
ST:STUDY_SUMMARY                 	Noxa high model (N5). 10E6 cells were starved of glucose (A) or glutamine (B&C)
ST:STUDY_SUMMARY                 	for 3 hours and then fed 13C 1,2 glucose (A), 15N alpha nitrogen glutamine (B)
ST:STUDY_SUMMARY                 	or 15N amide nitrogen glutamine (C) for 24 hours. Cells were washed 1X in ice
ST:STUDY_SUMMARY                 	cold PBS and resuspended in -20C methanol. Quenched cells were snap frozen and
ST:STUDY_SUMMARY                 	stored at -80. For experiment A we would like to observe the contribution of
ST:STUDY_SUMMARY                 	labeled glucose into the synthesis of amino acids, specifically glycine and
ST:STUDY_SUMMARY                 	serine. For experiment B we are most interested in the nitrogen incorporation
ST:STUDY_SUMMARY                 	into aspartate.  SCB edits: This fluxomics study requires measuring amino acids
ST:STUDY_SUMMARY                 	for M, M+1, M+2, and M+3 prioritizing glycine, serine, aspartate, asparagine,
ST:STUDY_SUMMARY                 	ornithine, citrulline, then as many as possible using a diamond hydride column
ST:STUDY_SUMMARY                 	and LCMS method (see CEvans).
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Biomedical Research Core Facilities
ST:LABORATORY                    	Metabolomics core
ST:LAST_NAME                     	Kachman
ST:FIRST_NAME                    	Maureen
ST:ADDRESS                       	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
ST:EMAIL                         	mkachman@umich.edu
ST:PHONE                         	-
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:SPECIES_GROUP                 	Human
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	SU0011617	S00017122	Type:Noxa high clone | Treatment:13C labeled glucose	
SUBJECT_SAMPLE_FACTORS           	SU0011617	S00017123	Type:Noxa high clone | Treatment:13C labeled glucose	
SUBJECT_SAMPLE_FACTORS           	SU0011617	S00017124	Type:Noxa high clone | Treatment:13C labeled glucose	
SUBJECT_SAMPLE_FACTORS           	SU0011617	S00017131	Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011617	S00017132	Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011617	S00017133	Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011617	S00017140	Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011617	S00017141	Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011617	S00017142	Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011619	S00017128	Type:Noxa high plasmid | Treatment:13C labeled glucose	
SUBJECT_SAMPLE_FACTORS           	SU0011619	S00017129	Type:Noxa high plasmid | Treatment:13C labeled glucose	
SUBJECT_SAMPLE_FACTORS           	SU0011619	S00017130	Type:Noxa high plasmid | Treatment:13C labeled glucose	
SUBJECT_SAMPLE_FACTORS           	SU0011619	S00017137	Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011619	S00017138	Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011619	S00017139	Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011619	S00017146	Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011619	S00017147	Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011619	S00017148	Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011618	S00017125	Type:Noxa low clone | Treatment:13C labeled glucose	
SUBJECT_SAMPLE_FACTORS           	SU0011618	S00017126	Type:Noxa low clone | Treatment:13C labeled glucose	
SUBJECT_SAMPLE_FACTORS           	SU0011618	S00017127	Type:Noxa low clone | Treatment:13C labeled glucose	
SUBJECT_SAMPLE_FACTORS           	SU0011618	S00017134	Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011618	S00017135	Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011618	S00017136	Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011618	S00017143	Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011618	S00017144	Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine	
SUBJECT_SAMPLE_FACTORS           	SU0011618	S00017145	Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine	
#COLLECTION
CO:SAMPLE_TYPE                   	Cell Extracts
CO:COLLECTION_SUMMARY            	-
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Fluxomics_analysis_protocol-2015-03-11.docx
SP:SAMPLEPREP_SUMMARY            	-
#CHROMATOGRAPHY
CH:METHODS_ID                    	AQM010
CH:METHODS_FILENAME              	QTOF-002-HILIC-35min-1mm-No_Insert.m
CH:INSTRUMENT_NAME               	Agilent 1260
CH:COLUMN_NAME                   	Phenomenex Luna NH2 (150 x 1mm, 3um)
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:LABORATORY_NAME               	MRC2 (University of Michigan)
AN:ANALYSIS_TYPE                 	MS
AN:ACQUISITION_PARAMETERS_FILE   	QTOF-002-HILIC-35min-1mm.m
AN:PROCESSING_PARAMETERS_FILE    	EX00383-MassHunterQuant-DataAnalysis-Method.m
#MS
MS:INSTRUMENT_NAME               	Agilent 6520 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	LCMS
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Area
MS_METABOLITE_DATA_START
Samples	S00017122	S00017123	S00017124	S00017131	S00017132	S00017133	S00017140	S00017141	S00017142	S00017128	S00017129	S00017130	S00017137	S00017138	S00017139	S00017146	S00017147	S00017148	S00017125	S00017126	S00017127	S00017134	S00017135	S00017136	S00017143	S00017144	S00017145
Factors	Type:Noxa high clone | Treatment:13C labeled glucose	Type:Noxa high clone | Treatment:13C labeled glucose	Type:Noxa high clone | Treatment:13C labeled glucose	Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine	Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine	Type:Noxa high clone | Treatment:15N alpha nitrogen labeled glutamine	Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine	Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine	Type:Noxa high clone | Treatment:15N amide nitrogen labeled glutamine	Type:Noxa high plasmid | Treatment:13C labeled glucose	Type:Noxa high plasmid | Treatment:13C labeled glucose	Type:Noxa high plasmid | Treatment:13C labeled glucose	Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine	Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine	Type:Noxa high plasmid | Treatment:15N alpha nitrogen labeled glutamine	Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine	Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine	Type:Noxa high plasmid | Treatment:15N amide nitrogen labeled glutamine	Type:Noxa low clone | Treatment:13C labeled glucose	Type:Noxa low clone | Treatment:13C labeled glucose	Type:Noxa low clone | Treatment:13C labeled glucose	Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine	Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine	Type:Noxa low clone | Treatment:15N alpha nitrogen labeled glutamine	Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine	Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine	Type:Noxa low clone | Treatment:15N amide nitrogen labeled glutamine	
2 or 3-phosphoglycerate_13C_1																											
2 or 3-phosphoglycerate_13C_2																											
2 or 3-phosphoglycerate_13C_3																											
2 or 3-phosphoglycerate_2PG/3PG	3329.8274	1110.7246	1868.9718	13921.5535	16965.4462	12747.2707	15414.5948	18840.8163	2310.2456	3668.9044	1834.8975	1414.0735	2843.0493	248.4805	4345.9978		1268.8090	1605.2351	2632.4105	1578.1325	1555.1801	18535.8802	16081.9803	16980.1823	25899.6904	33692.1241	27600.2683
3-Glycerophosphate	2094070.5410	1891527.3520	1830290.5210	2246558.1810	2199900.3480	2089632.5930	2158314.3590	2305811.0350	5893.2311	687169.4296	1869.5066	8358.0523	13721.3850	17150.7753	174248.4998	3626.7980	391.3674	4537.6845	4514575.6320	4340278.1160	1822278.3070	7187585.6660	6749155.8520	6584166.9340	9325685.9800	10039266.3800	9044818.4980
3-Glycerophosphate_13C_1	107792.4131	97464.3026	94228.6655	277.1057	302.6957	1544.9807	610.6321	599.2883		51474.2254	547.3710	2159.2122	958.9930				211.3479	61.2956	204693.0112	185559.7701	87684.6787	195.6863	2573.8846	2841.0396	4399.0780	968.3043	1081.0530
3-Glycerophosphate_13C_2	2139813.5670	1892409.3770	1824387.0540		6492.2822	10551.6535	10477.9749	3174.9239	32420.7718	1062892.9520	2702.9766	11877.1417	30568.1156	35543.8930	29167.9885	32215.9629	26718.3072	28909.9900	4261696.4010	4062573.0380	1832450.2730	7034.4285	7574.7555	2611.2065	5044.3933	9711.4479	5928.1388
3-Glycerophosphate_13C_3	37861.0962	29474.0701	32437.0824																46800.2467	41205.2137	14612.0771						
3-phosphoglyceraldehyde				27471.1209	19885.7086		8215.1231	20151.6795		11256.3432												35324.4216	38547.7985	34475.6299	46373.8927	50441.3579	27679.7015
3-phosphoglyceraldehyde_13C_1																											
3-phosphoglyceraldehyde_13C_2																											
3-phosphoglyceraldehyde_13C_3	100129.6825		1402.5140	26001.9203	21290.5654	62868.0776				35023.8895													193290.8958	132079.1653	315026.4237	182446.5830	
6-Phosphogluconate	9336.9402	6750.3988	2667.2129	15099.7758	14121.4682	15673.1517	14399.9958	20894.3179	4186.6926	2633.5820	3416.2039	2350.4862	2905.5868	2313.8995	3736.3340	3728.3883	5144.9800	6092.1378	5220.2975	2106.4806	5471.6586	6183.7591	6467.6291	5346.7673	11137.9994	13159.3276	10957.6082
6-Phosphogluconate_13C_1																858.5022											
6-Phosphogluconate_13C_2																											
6-Phosphogluconate_13C_3	8.7828	6.3497	2.5089					19.6542												1.9815	5.1469					12.3783	
6-Phosphogluconate_13C_4	1.9146	1.3842	0.5469					4.2845												0.4319	1.1220					2.6984	
6-Phosphogluconate_13C_5																											
6-Phosphogluconate_13C_6	1233.5885	2262.7505	1054.3438					1790.9530												1089.0761	1345.8865					1797.8604	
Acetyl-CoA	41354.9085	32282.5687	33567.3132	77004.6702	69617.4703	69035.6000	43328.0663	52387.8797	44319.7510	40668.6564	33152.1637	6922.8680	30312.4156	33297.7259	26628.7617	45374.0489	29460.9165	25488.5460	19457.7146	17054.6600	18368.3076	83055.9880	73790.6528	69806.3657	45744.4020	51104.1644	44733.3068
Acetyl-CoA_13C_1	37749.0645	27348.4716	29122.2049	58722.0125	58153.0723	55755.1773	3609.7385	2913.5792		35250.2548	8646.6543	20323.4090	31448.0150	71479.8010	49374.8012			3458.9431	35735.8148	38580.6926	31201.3167	68327.2558	66940.2346	61338.6808	6633.6664	7866.8992	6734.7179
Acetyl-CoA_13C_2	49612.4527	38769.1643	36885.3143	21591.3629	19234.0245	15669.8090	107047.9566	125468.3649	127400.8150	30029.8643	6909.3452	614.7166	27019.7781	28452.1821	26774.1519	109136.5625	91381.8023	106863.4719	33286.9201	28971.7568	32753.9885	20731.2042	17419.7805	15138.8857	154653.7187	185261.1889	152647.1703
Adenosine diphosphate	221167.5633	179151.8995	167919.3528	24727.3619	25520.7362	25026.3943	18991.3667	19864.2302	2858.8328	89378.8476	56171.1906	62409.7508	7479.7353	24646.1565	20785.0738	32216.4415	13568.9466	14239.5961	108459.7500	90475.4907	100212.9685	42597.0918	39053.5900	38251.2539	32593.4038	36287.6261	34817.9690
Adenosine diphosphate_13C_1	201735.6697	159836.9234	151987.6064	18824.9386	20808.9759	20100.7067	4000.1339	2799.2993	2571.4635	81700.0595	30126.3154	64704.2358	25272.7936	37042.4816	33787.7307	1792.3336	2927.7365	3549.6220	227313.0129	189565.8447	210821.1226	39121.6089	33749.2252	31841.6650	4445.7152	5382.2344	5264.7341
Adenosine diphosphate_13C_2	188306.6820	149000.1215	145404.0645	9414.6079	9943.9840	8146.8710	43061.6013	50161.4297	55113.5451	54051.5676	62092.5184	13799.8122	16270.8854	16902.6641	18001.5883	70983.8174	69226.1069	67431.5681	157870.4204	137436.2185	145968.8150	13392.3099	11454.1496	10059.6430	105620.3413	108677.1586	106676.4940
Adenosine diphosphate_13C_3	122990.9163	94815.7656	89605.1901	734.3440	1939.8937	3204.5349	2638.9250	2379.2778	880.2569	49261.2212	41598.0355	15652.9614	1182.4709	58.2703	1574.2768	587.0062	2737.0869	518.3073	143457.6919	119911.4416	136381.4391	861.5579	1118.9548	1334.6517	2267.9968	5814.7564	1876.0643
Adenosine diphosphate_13C_4	177293.5354	143888.6339	136061.8023				850.5673			48926.8954	23021.6361	29405.7696							137208.6343	121134.6767	127656.7331				483.9383	1481.7790	
Adenosine diphosphate_13C_5	19588.9376	17509.6584	16015.7353							7164.7148	9042.6344	4156.1758							7723.0009	5455.2039	5494.1036						
Adenosine monophosphate	701995.5229	604221.2141	595217.5793	64217.0220	64956.4310	59887.7448	41090.3332	40487.8449	29527.9942	285878.0811	126574.0058	58698.6745	60729.6252	69267.2548	49637.0919	62374.1135	46510.3796	55073.5599	329772.6458	310938.3092	307748.9300	97477.0000	97035.9817	90520.2400	51427.2308	55288.3752	50744.5274
Adenosine monophosphate_13C_1	632893.5474	567310.9679	549936.9202	44722.2063	44662.4514	42780.1372	5563.6844	2349.2941	3539.7592	259343.2791	24709.8743	46543.5669	64569.5073	66648.4591	67162.1299	7385.3906	6541.9302	4728.4258	674215.0400	627594.3636	642220.6220	83164.4838	75654.3826	71114.1940	8827.0354	6909.8207	7212.7134
Adenosine monophosphate_13C_2	605007.1434	540940.4900	525460.4018	20944.5187	20336.1832	18226.3655	88203.9714	89319.1484	98153.6482	171152.7316	61045.5673	27559.0672	26318.8472	30533.0368	27717.3382	114563.4173	117123.6829	111268.3103	463660.9927	444363.8009	457625.0772	25626.6035	26422.9322	25335.9388	146135.6745	150287.0366	144857.5897
Adenosine monophosphate_13C_3	380222.8896	340392.0083	338621.5180	138.7147	550.9796	1708.9259	2275.8958		1719.5727	148753.8540	62762.4500	49925.4587	2953.6521	2433.5875	4118.9001	4063.6421	3639.8107	2471.2038	439437.4983	417173.0812	416136.9499	966.8052	157.0942	1788.1710	3321.3073	3085.9751	2849.7955
Adenosine monophosphate_13C_4	597686.0581	530886.7561	518675.8086		431.1035		40.0183	352.6965	689.3178	157555.3727	9174.4594	22745.1011			190.4838	1080.9781	580.7567	3716.7887	421253.2013	387842.3718	406601.0435				1479.6977	833.4026	
Adenosine monophosphate_13C_5	67074.0065	56838.3487	55035.9647	1430.2402						25443.4015	3034.1532	2754.5314							24608.7974	19793.7658	22253.7695					1525.6813	
Adenosine triphosphate	92340.4195	69044.4862	67941.6797	61221.8725	59164.9249	54674.5408	40587.6631	59227.0375	14412.7559	49997.7997	24490.7233	14882.8795	23685.0225	48810.8582	65284.3169	42560.9736	23792.3208	18419.0629	41488.2816	30605.6294	37382.1763	89573.7177	68502.8386	75569.5452	70004.9115	79628.1940	73907.0227
Adenosine triphosphate_13C_1	68523.2463	51364.2610	48665.8932	45037.1891	46783.4759	43254.5280	5499.4771	7274.0760	8505.2717	36308.0534	24929.7519	4171.5132	62681.9745	64222.9694	66725.3588	4537.2588	8369.5182	7771.1543	70839.3194	56655.2477	63552.6942	71758.3749	59195.8349	64358.4395	10602.2156	9757.8449	10641.9165
Adenosine triphosphate_13C_2	64333.5307	54778.5428	54054.1790	26839.7466	25686.0328	21239.6755	109851.0513	161584.0839	134728.5675	30879.8430	18551.5627	3317.7790	32647.3102	37489.6745	32829.1184	134651.9090	112668.5582	136011.5676	50994.3822	38575.7927	45323.7288	30112.5452	24989.9600	24246.2873	220237.8782	251279.0903	230243.2445
Adenosine triphosphate_13C_3	40665.3897	30962.3696	28475.8035	1658.1079	462.2280	1730.0177	4453.3960	1368.2313	1445.7648	17944.5655	8390.2663	13614.5603	2549.1606	3090.5809	2478.9473	2554.8985	318.6569	1957.0045	40988.5148	34875.2770	39616.9350	511.5998	1813.9000		4117.5976	5462.2356	4433.8974
Adenosine triphosphate_13C_4	63113.5466	44502.8598	43276.8267		725.8847		1964.4312			20722.9565	10190.2552	5972.8778					377.6731	1021.4655	42721.0747	32825.9936	39381.1784				2302.2848	1992.3885	
Adenosine triphosphate_13C_5	6470.8420	6896.4251	5248.0108							2925.7354	1610.1227	1561.9560							2318.2298	1366.1825	2246.4835			301.4526			
Aspartate	728298.9003	638426.5802	631258.7841	715998.4147	708361.7355	667451.1540	1439330.0580	1582333.4190		920716.9054	24460.8004	51054.4815	17246.8374	69474.5673	28380.1813	17927.5265		66868.9870	257872.2296	250014.9895	242210.6367	270892.5718	262839.8253	254236.9011	426494.2661	469428.7379	418681.2110
Aspartate_13C_1	65580.5000	63754.0704	56821.1151	291199.8448	386112.8792		1387.2106	4110.4214	14281.3720	76185.1446	14827.6142	3654.4575	383295.8411	364571.0064	262912.0646	812.4022	7307.8069	9449.2536	21079.6181	19783.5397	23635.0219	160265.3544		65777.9688	2739.2191		2628.6108
Aspartate_13C_2	163500.7691	152769.3994	141465.3778	17663.4491	14530.4744	21372.1907		257.2793	3746.8014	234423.8720	5482.9980	11651.7034	1909.7095	4195.3460	5808.9766	2371.8597	3022.7760	3031.4748	52840.3423	51452.2344	55003.7811		5732.1132	4727.4242		40.8324	
Aspartate_13C_3	41361.0802	36848.8097	35391.2028		25169.4555	22697.9661	1763.3447	1201.5831		37903.2198	4696.6681	3201.1793	2329.5203	1406.6726	1612.2625	1282.1208	1493.7575	2312.1494	15511.3181	13520.8732	16181.2098	2600.9076	2884.0429		2276.6334	1341.0330	7582.8944
Aspartate_13C_4	10630.7023	8928.7830	8985.2608							14044.7451	4036.1292	1413.4308							3605.3693	3034.7632	2671.9547					64709.9333	
Citrate or Isocitrate	169399.2197	167120.4486	149121.3283	921908.3071	885506.1545	810130.2983	939653.6697	1103559.4900	78437.0172	430893.8559	36079.9915	1222.4377	67856.9735	82214.2268	2946.6337	3123.6464	79390.0415	73794.8813	161897.9638	133943.0510	152106.3674	632940.2700	572772.5384	538367.1187	812147.2605	904688.2446	784313.1766
Citrate or Isocitrate_13C_1	19502.7171	18435.5268	16619.1283			348.0862	1794.5376	354.0575	409.6459	30158.0785		5019.3999		355.6659	5787.5293				22587.9507	19314.1563	19454.9647	269.1628		669.4723			470.1765
Citrate or Isocitrate_13C_2	86832.7241	74274.8568	72010.6934							140309.4237			498.7747	876.6408	1805.6707	1359.9037	687.6070	623.9993	73821.2191	61843.2069	71226.1609						
Citrate or Isocitrate_13C_3	19682.7695	17483.8664	15479.8814	415.2070		664.9058	316.6596	765.8367		20965.2451		8288.1484	1747.4532	2276.8812	3297.6133	2085.0863	2573.9775	1972.0191	20454.0483	17400.5509	19362.7612	732.8596	830.7435	849.8741	2207.8276	1879.0502	1921.6957
Citrate or Isocitrate_13C_4	28721.1254	20970.0957	17873.9598	55.5762		4686.3903				32849.0378	7517.6917	1738.2735							22070.0343	20746.5002	22644.0796		5044.3643			22.0223	
Citrate or Isocitrate_13C_5	5003.4280	4568.7205	3994.2498							3055.1336		1189.8284							4297.7765	3836.8513	3767.3095						
Citrate or Isocitrate_13C_6	2495.0534	1323.1755	2524.6524	1774.0998						1266.2250	1798.6399	3510.1154							1111.7535	1027.8156	2153.6533					1187.3350	
Erythrose 4-phosphate	3186.1052	4260.1644	15663.5639	48833.3014	45988.4253	36782.2559	41434.6496	41997.4925	16501.8929	6407.2985	2743.0401	10509.4975	9726.7064	6871.5307	10268.6642	10980.3278	16582.4877	27372.3274	3449.7857	20470.3021	4476.0116	46612.3470	42434.4838	41411.9851	46426.2004	50594.6707	43689.7205
Erythrose 4-phosphate_13C_1																											
Erythrose 4-phosphate_13C_2																											
Erythrose 4-phosphate_13C_3																											
Erythrose 4-phosphate_13C_4																											
Fructose 1_6-bisphosphate	3577.9375	17531.2557	35786.4278	111884.3152	83021.6153	71409.5508	77529.6255	112652.3861	54220.9196	54142.2931	11498.8531	2877.3691	100536.8287	68241.9841	17125.7117	50128.7712	79724.4912	14578.1752	19325.3096	10442.5783	12032.3041	330176.0267	292719.0982	295558.7239	476663.9530	551574.9675	561482.3180
Fructose 1_6-bisphosphate_13C_1			490.4338	425.5656						603.2284				6554.3219	3896.1110	2350.1074			513.7349	571.4129	1230.6043		12.6764	812.8625	4644.2023	535.6186	2603.2872
Fructose 1_6-bisphosphate_13C_2		3376.0302	4692.3852	1986.8795	4689.8110		4993.7826	2810.6655		9242.5437	2978.4056		29.3566		1261.3483	107.4803		841.9109	7643.2792	6992.1827	6611.3544	3511.8493	2080.3572	2452.2892	4623.2060	2555.1465	1681.0095
Fructose 1_6-bisphosphate_13C_3																											
Fructose 1_6-bisphosphate_13C_4																											
Fructose 1_6-bisphosphate_13C_5																											
Fructose 1_6-bisphosphate_13C_6																											
Glucose 6-phosphate or fructose-6-phosphate	47497.3110	41243.4914	43542.5700	118615.2930	122677.3332	113592.9270	130979.2179	140339.5508	11535.9869	32278.5887	20616.8262	9442.0951	23371.7749		5198.7154	8041.4200	13166.6708	26214.8613	31854.0154	26037.2335	29458.0709	234452.7976	238428.9241	202585.2720	378915.6075	444150.4439	387673.5276
Glucose 6-phosphate or fructose-6-phosphate_13C_1	1463.5293			954.5298	865.4301	1264.3826	1467.1237	772.8263	6612.2571	1056.8267	2706.4213		5087.8020	7226.6880	2466.3603	4098.0824	6763.4500		7069.9224	5630.3549	4606.9656	746.0697	224.9161	501.9547	1337.1960		2702.8615
Glucose 6-phosphate or fructose-6-phosphate_13C_2	78118.6089	69390.3769	66299.6595		748.2061	3104.6880	3035.3417			55404.5762	24211.4848	10505.5715		783.3831	3070.6998	3368.7245	3522.1058	617.1459	140208.6993	141210.5523	118704.1431			934.2446	1571.2691	2082.3618	257.6144
Glucose 6-phosphate or fructose-6-phosphate_13C_3	196.1160		521.6952								267.9924								4043.2905	4978.5887	5355.2277						
Glucose 6-phosphate or fructose-6-phosphate_13C_4																											
Glucose 6-phosphate or fructose-6-phosphate_13C_5																											
Glucose 6-phosphate or fructose-6-phosphate_13C_6																											
Glutamate	30903013.0400	28764413.2000	27741453.7300	13382381.8500	13035902.0200	12519545.6400	27757160.5700	30283026.9200		25338102.0300	2574244.3100	2939673.6950	2085310.0510	2836911.2330	2272464.6190	1617720.8870		1541858.5870	28985496.6800	27683301.2100	27666044.5200	14813697.6700	13942003.7500	13690462.6600	30709788.4100	32328497.9200	29119352.2200
Glutamate_13C_1	1516378.5720	1379854.8580	1330263.1880	13738345.8000	13343145.6900	12823998.5300			1265.9143	1051045.1830	102459.7503	101748.1242	13617388.6000	13801507.4300	12636162.8400				2103201.4980	2004333.6590	2034964.3560	13655376.2800	12980739.4300	12761245.2300			
Glutamate_13C_2	5990757.0970	5505911.7380	5317707.5020	54841.6376	71864.9423				53781.2491	5013800.1820	503125.8021	533871.0215		113139.3053	71366.4767	34857.7158	32817.9114	9649.5813	7054118.5890	6766819.9870	6782533.4250	70525.0610		52081.5224			
Glutamate_13C_3	1284404.7430	1175936.7060	1129568.1800				2946.5488	1620.7884	54.1922	741780.1954	71689.2724					3622.0710	3234.5778	2862.5199	1729246.6780	1651673.6800	1676711.6370				3076.9226	2084.2116	
Glutamate_13C_4	1018662.7220	918377.6717	908311.5990			1821.5325			736.3479	797448.4195	80512.9432	90922.3174	2190.1830						1295602.5230	1247495.5890	1226825.8190		184.6057				
Glutamate_13C_5	192987.2323	178391.0020	173032.5184							103906.8009	11868.8737				704.5626				259230.0955	248084.3684	248251.3271						
Lactate	133907.3704	145273.7167	146118.1242	253456.6976	228665.5765	305619.7798	212255.7028	234243.5393		118149.7539									108198.2416	111523.0593	99636.5276	273137.7073	441955.6526	263173.1125	259897.4446	266120.3873	243553.9244
Lactate_13C_1	8490.8419	9374.1681	5495.7383	472.1256	1476.3436		858.9067	261.4454		4314.8598									3078.1366	4476.1428	3942.4297			1167.8815	4356.2522	3094.8698	1717.4298
Lactate_13C_2	136972.0545	118118.9535	121100.8146							82134.7612									85898.2176	64447.8291	127119.3705						428.3881
Lactate_13C_3	2566.2026	508.4665	1914.8791							485.8799										585.6779	72.3385						
Malate	2154523.6660	1795729.3300	1714110.5000	4645515.2360	4294976.6640	4026251.2880	4460432.8450	5097812.2790	4499.3975	2566065.8370	2241950.0680	1327178.3270	240640.7947				114994.4501	2878.1251	1822738.0880	1706023.3880	1648131.7650	2638516.2630	2430223.4500	2306824.7460	3000355.6530	3485768.1210	2744931.8850
Malate_13C_1	241706.1579	199141.4563	191107.7147	285.5374			3607.1338	4755.7501	26754.8098	182925.9079	164003.5271	175746.5457	8031.4140	12498.8325	1258.9610	12171.1022	25469.3659	20084.2436	245502.7563	232516.9699	238220.4399	3461.4340		2456.6228	2169.4473	4999.7643	
Malate_13C_2	560130.5063	476626.3072	458490.7366	868.6831	971.3081	1286.8573	2298.5842	3649.1821	21832.1389	625263.4321	529715.9978	569374.4087	19151.7328	21890.9448	33268.4585	5848.6296	21486.4670	15170.5472	541245.7077	518213.5791	492088.5291		1095.2772	1946.4615	1690.1525	2794.8790	
Malate_13C_3	116143.3273	99924.6393	95100.8484	608.9590		344.8693				66693.5066	15163.1439	41388.7785	1129.1707	656.8262	994.3951	1500.0374		773.1068	115786.1837	111804.8801	104348.4546						
Malate_13C_4	37247.9811	30649.9184	27222.3783					1045.7880		40453.0018	36191.5143	33215.4807							37558.1531	37762.6223	33426.6934					3225.0592	
Malonyl-CoA	4494.1547	2819.8768	2484.7556	7860.0759	6681.3948	7283.0494	3911.3927	7913.0195	1800.0252	1622.5919	1110.2575	330.7032	3114.3555	407.3959	1000.7980	1807.0495	2162.2885	1506.4117	18762.0609	307.4227	571.1502	7854.8288	6954.5657	5160.7711	4957.7458	4970.8754	4628.9230
Malonyl-CoA_13C_1	4512.3284	2606.1019	3717.9716	7653.2373	6025.7086	6303.9673	545.4402		331.3022		1583.7666	826.1721	3038.0476	4028.6303	3759.2434					4095.6571	2600.5693	7931.9810	4291.8380	6899.8277	228.6693	10.6488	
Malonyl-CoA_13C_2	4550.0166	2075.7933	3234.3382	685.8199	321.3088	1088.4340	11982.3366	15272.1427	15073.3668	45042.4797		1161.7758	482.1279	240.3209	727.9058	4506.4775	3370.4311	7671.7637	550.3946	648.2110	1576.5499	2312.1388		255.5114	18043.6764	22205.3671	18804.6463
Malonyl-CoA_13C_3	3278.7027	3442.4718	3373.3909	15785.2125	15505.6388		1522.4499				945.1786	531.1456				1373.8952	25.2561	85.8560	1838.2446	3030.2214	693.3251	17880.2093	256.8513				
Nicotinamide Adenine Dinucleotide oxidized	104855.3479	95234.7530	95690.5370	467396.8552	447098.8034	450853.7102	187053.8058	192481.1207	158095.0693	82269.2294	85113.2162	78844.7673	295324.3107	290314.0099	360983.9326	68009.0767	367030.2346	274173.0773	65253.0344	59383.8426	62967.4402	702877.3634	669584.3573	637784.2154	168684.2114	170947.3481	180853.3371
Nicotinamide Adenine Dinucleotide oxidized_13C_1	154352.1961	141797.9078	137939.2743	278508.7540	277859.0427	264549.7262	124084.3468	124332.8366	147588.8534	118905.0555	103274.1785	62875.6602	214558.5458	243665.1697	186125.0543	64336.8891	13548.5260	29163.8806	115829.9927	107911.0317	116506.1316	457918.3637	446883.5802	423868.7631	213668.8452	227867.1246	227823.5227
Nicotinamide Adenine Dinucleotide oxidized_13C_2	250776.7987	226060.2444	228144.1402	115137.1513	112993.0126	104929.7215	289220.4425	292490.6237	318125.5090	125114.9023	106703.7406	136959.0637	75142.0129	92574.6166	90491.1460	330796.8565	352168.7575	332298.0185	223428.9449	209109.7125	218050.6054	158449.5490	154665.9151	151801.7607	307939.3336	328059.2802	327279.8651
Nicotinamide Adenine Dinucleotide oxidized_13C_3	256687.8766	236082.7798	235774.5714	4935.4397	6713.7894	5762.1380	229264.1921	237850.1666	263399.9463	121973.5503	25689.6367	66035.5530	9991.9230	7193.7866	8989.8068	9032.7061	11578.9186	14620.3860	260591.4351	238635.1151	250405.7098	8963.5723	10512.3718	8322.5017	553982.6105	580753.3818	603348.0335
Nicotinamide Adenine Dinucleotide oxidized_13C_4	334212.1815	302447.4494	303410.5452	1688.2322	2116.3897	374.2918	7707.1927	3771.3109	3846.7444	141882.7161	90086.5910	101423.1490	1704.9418	277.8662	145.9789	436.7721	1294.5753	403.7841	305928.0099	287196.3510	307708.1649	204.4535	876.1376		14014.6734	16843.7542	10959.2928
Nicotinamide Adenine Dinucleotide oxidized_13C_5	271455.5639	248515.6166	249921.9320				2659.5364	3473.4811	3203.5145	105771.1580	64199.3539	76465.0055							290511.2015	265648.3037	277467.2786		956.3662		2460.0743	1615.6373	940.5132
Nicotinamide Adenine Dinucleotide reduced	69511.8953	60324.8246	60054.4981	544816.2672	562918.0640	439576.2905	239240.1138	257529.9480	177078.6106	47203.1192	25079.4303	30958.7858	368300.6972	370525.8922	348746.5594	289647.6810	122837.8442	312872.0314	84182.1862	76344.2355	79298.8409	900766.7314	861146.9886	854312.6209	253584.2411	284428.4523	260197.5831
Nicotinamide Adenine Dinucleotide reduced_13C_1	100595.0521	89491.1596	89100.8033	326264.0977	342653.7349	263194.9504	160500.0794	165699.5113	144460.5149	64634.1439	64229.6096	18679.7892	235755.0541	265654.5618	219312.9745	7469.9262	87261.2631		145039.8800	136233.6118	139478.1150	597979.0845	574002.7127	582328.1082	339184.0674	369052.1345	327424.1720
Nicotinamide Adenine Dinucleotide reduced_13C_2	164652.2542	139744.7824	136585.3116	127768.3385	132867.9678	101495.0300	359872.6400	390087.1874	310486.8208	73767.7473	75281.8588	31861.6825	98656.7636	97316.6466	112015.8961	368491.0940	379728.9543	371277.2615	285482.8561	251966.0644	265693.5074	199494.3047	190218.7665	191346.3151	479322.2443	532984.4439	479340.0689
Nicotinamide Adenine Dinucleotide reduced_13C_3	167531.2627	146903.3928	144034.8626	12090.7622	11776.0246	8019.7778	299307.7646	307611.6926	258340.4985	74842.3759	72565.9766	28137.0469	11591.5379	9791.2981	9116.1924	9396.3091	14594.5025	10740.1000	320139.3930	289645.1567	299849.5368	8449.5527	15276.6335	11309.0070	873600.2433	951904.6788	861481.8689
Nicotinamide Adenine Dinucleotide reduced_13C_4	219667.4287	188037.8482	178318.7826	273.1484	1170.5945	1114.7272	5386.1208	9137.5756	9815.6703	82854.6767	43747.6063	61493.8715		1377.9099	1057.1090	2601.7020	1087.3498	1114.3446	395309.8487	355444.9906	375992.1151		290.2587		15163.5889	20653.8973	13496.9580
Nicotinamide Adenine Dinucleotide reduced_13C_5	171932.3227	142609.5061	148349.1768	657.0200	810.3421	1486.9612	3587.8434	2395.3342	26.0850	55939.3786	63997.5143	15634.1647				90.5824	498.2951		355518.7790	327597.7258	345295.4642	227.4567			3085.2984	3618.1336	4007.1724
Phosphoenolpyruvate	1008.5233	1125.6193	1078.3990	6426.9937	6159.8173	4930.9588	8433.2216	7567.0529	2063.1816	2202.8489	1354.0894		1053.0219				1539.8431					5619.7682	5025.2006	5385.4619	6937.4474	8239.7093	5609.3474
Phosphoenolpyruvate_13C_1																											
Phosphoenolpyruvate_13C_2																											
Phosphoenolpyruvate_13C_3																											
Ribose-5-phosphate or xylulose 5-phosphate	2267.1650	1156.0311		27421.1742	27071.1435	22364.4192	18997.9672	20361.0291	3564.9725	2446.8035		1079.6616	7380.0095	15613.2949	6368.7239	10478.2298	4344.5172	5558.5350	1582.5700	2319.8973		121026.7378	92162.9861	95037.6869	102928.6828	106951.5884	107906.9058
Ribose-5-phosphate or xylulose 5-phosphate_13C_1																											
Ribose-5-phosphate or xylulose 5-phosphate_13C_2																											
Ribose-5-phosphate or xylulose 5-phosphate_13C_3																			0.9083	1.3315							
Ribose-5-phosphate or xylulose 5-phosphate_13C_4																			0.2191	0.3212							
Ribose-5-phosphate or xylulose 5-phosphate_13C_5																			6432.4738	2745.4527	1340.0306						
Sedoheptulose 7-phosphate	23031.9624	18973.3344	19598.0314	28285.7382	27578.6818	28012.3342	25526.5019	28495.3413	12835.7569	6266.8673	7022.5904	3709.2894	12805.3083	4213.0841	2361.5675	1113.9779	11830.5231	10372.6945	81458.8171	76280.6620	82640.7720	152089.9538	140787.7334	140627.1408	227199.0619	245606.8779	221194.5551
Sedoheptulose 7-phosphate_13C_1	2903.6048	1034.3258	1929.9811																10974.1392	9422.7316	7708.5951				242.3483	193.0431	551.6763
Sedoheptulose 7-phosphate_13C_2	25105.0558	23134.9743	19250.4484							7588.9075	5310.6959	3885.5764							112090.2060	96639.6141	93782.4210						
Sedoheptulose 7-phosphate_13C_3	3814.9751	3876.0967	3403.3452	5.2187	10.5572					788.8611									16373.4717	13932.9954	13596.1090						
Sedoheptulose 7-phosphate_13C_4	6391.8244	5985.6541	5598.7920	6.9187	6.4601					2237.1694									24571.6341	22482.6180	22099.4395						
Sedoheptulose 7-phosphate_13C_5	1771.5563	1626.4933	1232.6829	2237.5381	1829.8030														11291.9447	8554.3376	7367.1396						
Sedoheptulose 7-phosphate_13C_6																											
Sedoheptulose 7-phosphate_13C_7																											
Sucrose	212258.8457	162449.9900	190746.2894	167948.8268	165968.6426	159707.9653	210293.1370	239679.6920	5924.1149	311965.9829	411164.7993	395838.4731	21686.1483	1486.6557	6208.1237	3513.9731	10542.4302	3035.5525	198856.0194	220259.2394	219945.9769	95494.8757	90405.5826	81821.5838	132604.2807	134428.8544	111959.7784
Sucrose_13C_1	21911.9885	28222.6509	26843.7968	768.1788		281.7650	559.4811	576.1076	1540.1506	30284.8479	29200.7408	33906.2623	1708.3605	2138.7399		3501.8125		3210.6358	40031.0595	26874.4249	24714.8874			16.2645		301.8305	
Sucrose_13C_2											46172.6883	51032.5838															
Sucrose_13C_3		1808.2694									7854.3186	8468.6294							5438.1465	13738.7034	4843.4917						
Sucrose_13C_4						34498.8726	19260.2745														9837.3118
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
2 or 3-phosphoglycerate_13C_1	724		C00597	2PG/3PG_13C_1	UM_Target_ID				
2 or 3-phosphoglycerate_13C_2	724		C00597	2PG/3PG_13C_2	UM_Target_ID				
2 or 3-phosphoglycerate_13C_3	724		C00597	2PG/3PG_13C_3	UM_Target_ID				
2 or 3-phosphoglycerate_2PG/3PG	724		C00597	2PG/3PG	UM_Target_ID				
3-Glycerophosphate	754			GI_OH3P	UM_Target_ID				
3-Glycerophosphate_13C_1	754			GI_OH3P_13C_1	UM_Target_ID				
3-Glycerophosphate_13C_2	754			GI_OH3P_13C_2	UM_Target_ID				
3-Glycerophosphate_13C_3	754			GI_OH3P_13C_3	UM_Target_ID				
3-phosphoglyceraldehyde	439168		C00118	G3P	UM_Target_ID				
3-phosphoglyceraldehyde_13C_1	439168		C00118	G3P_13C_1	UM_Target_ID				
3-phosphoglyceraldehyde_13C_2	439168		C00118	G3P_13C_2	UM_Target_ID				
3-phosphoglyceraldehyde_13C_3	439168		C00118	G3P_13C_3	UM_Target_ID				
6-Phosphogluconate	91493		C00345	6PG	UM_Target_ID				
6-Phosphogluconate_13C_1	91493		C00345	6PG_13C_1	UM_Target_ID				
6-Phosphogluconate_13C_2	91493		C00345	6PG_13C_2	UM_Target_ID				
6-Phosphogluconate_13C_3	91493		C00345	6PG_13C_3	UM_Target_ID				
6-Phosphogluconate_13C_4	91493		C00345	6PG_13C_4	UM_Target_ID				
6-Phosphogluconate_13C_5	91493		C00345	6PG_13C_5	UM_Target_ID				
6-Phosphogluconate_13C_6	91493		C00345	6PG_13C_6	UM_Target_ID				
Acetyl-CoA	444493		C00024	aCoA	UM_Target_ID				
Acetyl-CoA_13C_1	444493		C00024	aCoA_13C_1	UM_Target_ID				
Acetyl-CoA_13C_2	444493		C00024	aCoA_13C_2	UM_Target_ID				
Adenosine diphosphate	6022		C00008	ADP	UM_Target_ID				
Adenosine diphosphate_13C_1	6022		C00008	ADP_13C_1	UM_Target_ID				
Adenosine diphosphate_13C_2	6022		C00008	ADP_13C_2	UM_Target_ID				
Adenosine diphosphate_13C_3	6022		C00008	ADP_13C_3	UM_Target_ID				
Adenosine diphosphate_13C_4	6022		C00008	ADP_13C_4	UM_Target_ID				
Adenosine diphosphate_13C_5	6022		C00008	ADP_13C_5	UM_Target_ID				
Adenosine monophosphate	6083		C00020	AMP	UM_Target_ID				
Adenosine monophosphate_13C_1	6083		C00020	AMP_13C_1	UM_Target_ID				
Adenosine monophosphate_13C_2	6083		C00020	AMP_13C_2	UM_Target_ID				
Adenosine monophosphate_13C_3	6083		C00020	AMP_13C_3	UM_Target_ID				
Adenosine monophosphate_13C_4	6083		C00020	AMP_13C_4	UM_Target_ID				
Adenosine monophosphate_13C_5	6083		C00020	AMP_13C_5	UM_Target_ID				
Adenosine triphosphate	5957		C00002	ATP	UM_Target_ID				
Adenosine triphosphate_13C_1	5957		C00002	ATP_13C_1	UM_Target_ID				
Adenosine triphosphate_13C_2	5957		C00002	ATP_13C_2	UM_Target_ID				
Adenosine triphosphate_13C_3	5957		C00002	ATP_13C_3	UM_Target_ID				
Adenosine triphosphate_13C_4	5957		C00002	ATP_13C_4	UM_Target_ID				
Adenosine triphosphate_13C_5	5957		C00002	ATP_13C_5	UM_Target_ID				
Aspartate	5960		C00049	ASP	UM_Target_ID				
Aspartate_13C_1	5960		C00049	ASP_13C_1	UM_Target_ID				
Aspartate_13C_2	5960		C00049	ASP_13C_2	UM_Target_ID				
Aspartate_13C_3	5960		C00049	ASP_13C_3	UM_Target_ID				
Aspartate_13C_4	5960		C00049	ASP_13C_4	UM_Target_ID				
Citrate or Isocitrate	311		C00158	CIT/ICIT	UM_Target_ID				
Citrate or Isocitrate_13C_1	311		C00158	CIT/ICIT_13C_1	UM_Target_ID				
Citrate or Isocitrate_13C_2	311		C00158	CIT/ICIT_13C_2	UM_Target_ID				
Citrate or Isocitrate_13C_3	311		C00158	CIT/ICIT_13C_3	UM_Target_ID				
Citrate or Isocitrate_13C_4	311		C00158	CIT/ICIT_13C_4	UM_Target_ID				
Citrate or Isocitrate_13C_5	311		C00158	CIT/ICIT_13C_5	UM_Target_ID				
Citrate or Isocitrate_13C_6	311		C00158	CIT/ICIT_13C_6	UM_Target_ID				
Erythrose 4-phosphate	122357		C00279	E4P	UM_Target_ID				
Erythrose 4-phosphate_13C_1	122357		C00279	E4P_13C_1	UM_Target_ID				
Erythrose 4-phosphate_13C_2	122357		C00279	E4P_13C_2	UM_Target_ID				
Erythrose 4-phosphate_13C_3	122357		C00279	E4P_13C_3	UM_Target_ID				
Erythrose 4-phosphate_13C_4	122357		C00279	E4P_13C_4	UM_Target_ID				
Fructose 1,6-bisphosphate	172313		C00354	FBP	UM_Target_ID				
Fructose 1,6-bisphosphate_13C_1	172313		C00354	FBP_13C_1	UM_Target_ID				
Fructose 1,6-bisphosphate_13C_2	172313		C00354	FBP_13C_2	UM_Target_ID				
Fructose 1,6-bisphosphate_13C_3	172313		C00354	FBP_13C_3	UM_Target_ID				
Fructose 1,6-bisphosphate_13C_4	172313		C00354	FBP_13C_4	UM_Target_ID				
Fructose 1,6-bisphosphate_13C_5	172313		C00354	FBP_13C_5	UM_Target_ID				
Fructose 1,6-bisphosphate_13C_6	172313		C00354	FBP_13C_6	UM_Target_ID				
Glucose 6-phosphate or fructose-6-phosphate	5958		C00092	G6P/F6P	UM_Target_ID				
Glucose 6-phosphate or fructose-6-phosphate_13C_1	5958		C00092	G6P/F6P_13C_1	UM_Target_ID				
Glucose 6-phosphate or fructose-6-phosphate_13C_2	5958		C00092	G6P/F6P_13C_2	UM_Target_ID				
Glucose 6-phosphate or fructose-6-phosphate_13C_3	5958		C00092	G6P/F6P_13C_3	UM_Target_ID				
Glucose 6-phosphate or fructose-6-phosphate_13C_4	5958		C00092	G6P/F6P_13C_4	UM_Target_ID				
Glucose 6-phosphate or fructose-6-phosphate_13C_5	5958		C00092	G6P/F6P_13C_5	UM_Target_ID				
Glucose 6-phosphate or fructose-6-phosphate_13C_6	5958		C00092	G6P/F6P_13C_6	UM_Target_ID				
Glutamate	611			GLU	UM_Target_ID				
Glutamate_13C_1	611			GLU_13C_1	UM_Target_ID				
Glutamate_13C_2	611			GLU_13C_2	UM_Target_ID				
Glutamate_13C_3	611			GLU_13C_3	UM_Target_ID				
Glutamate_13C_4	611			GLU_13C_4	UM_Target_ID				
Glutamate_13C_5	611			GLU_13C_5	UM_Target_ID				
Lactate	107689		C00186	LAC	UM_Target_ID				
Lactate_13C_1	107689		C00186	LAC_13C_1	UM_Target_ID				
Lactate_13C_2	107689		C00186	LAC_13C_2	UM_Target_ID				
Lactate_13C_3	107689		C00186	LAC_13C_3	UM_Target_ID				
Malate	222656		C00149	MAL	UM_Target_ID				
Malate_13C_1	222656		C00149	MAL_13C_1	UM_Target_ID				
Malate_13C_2	222656		C00149	MAL_13C_2	UM_Target_ID				
Malate_13C_3	222656		C00149	MAL_13C_3	UM_Target_ID				
Malate_13C_4	222656		C00149	MAL_13C_4	UM_Target_ID				
Malonyl-CoA	644066		C00083	mCoA	UM_Target_ID				
Malonyl-CoA_13C_1	644066		C00083	mCoA_13C_1	UM_Target_ID				
Malonyl-CoA_13C_2	644066		C00083	mCoA_13C_2	UM_Target_ID				
Malonyl-CoA_13C_3	644066		C00083	mCoA_13C_3	UM_Target_ID				
Nicotinamide Adenine Dinucleotide oxidized	10897651		C00003	NAD	UM_Target_ID				
Nicotinamide Adenine Dinucleotide oxidized_13C_1	10897651		C00003	NAD_13C_1	UM_Target_ID				
Nicotinamide Adenine Dinucleotide oxidized_13C_2	10897651		C00003	NAD_13C_2	UM_Target_ID				
Nicotinamide Adenine Dinucleotide oxidized_13C_3	10897651		C00003	NAD_13C_3	UM_Target_ID				
Nicotinamide Adenine Dinucleotide oxidized_13C_4	10897651		C00003	NAD_13C_4	UM_Target_ID				
Nicotinamide Adenine Dinucleotide oxidized_13C_5	10897651		C00003	NAD_13C_5	UM_Target_ID				
Nicotinamide Adenine Dinucleotide reduced	439153		C00004	NADH	UM_Target_ID				
Nicotinamide Adenine Dinucleotide reduced_13C_1	439153		C00004	NADH_13C_1	UM_Target_ID				
Nicotinamide Adenine Dinucleotide reduced_13C_2	439153		C00004	NADH_13C_2	UM_Target_ID				
Nicotinamide Adenine Dinucleotide reduced_13C_3	439153		C00004	NADH_13C_3	UM_Target_ID				
Nicotinamide Adenine Dinucleotide reduced_13C_4	439153		C00004	NADH_13C_4	UM_Target_ID				
Nicotinamide Adenine Dinucleotide reduced_13C_5	439153		C00004	NADH_13C_5	UM_Target_ID				
Phosphoenolpyruvate	1005		C00074	PEP	UM_Target_ID				
Phosphoenolpyruvate_13C_1	1005		C00074	PEP_13C_1	UM_Target_ID				
Phosphoenolpyruvate_13C_2	1005		C00074	PEP_13C_2	UM_Target_ID				
Phosphoenolpyruvate_13C_3	1005		C00074	PEP_13C_3	UM_Target_ID				
Ribose-5-phosphate or xylulose 5-phosphate	77982		C00117	R5P/X5P	UM_Target_ID				
Ribose-5-phosphate or xylulose 5-phosphate_13C_1	77982		C00117	R5P/X5P_13C_1	UM_Target_ID				
Ribose-5-phosphate or xylulose 5-phosphate_13C_2	77982		C00117	R5P/X5P_13C_2	UM_Target_ID				
Ribose-5-phosphate or xylulose 5-phosphate_13C_3	77982		C00117	R5P/X5P_13C_3	UM_Target_ID				
Ribose-5-phosphate or xylulose 5-phosphate_13C_4	77982		C00117	R5P/X5P_13C_4	UM_Target_ID				
Ribose-5-phosphate or xylulose 5-phosphate_13C_5	77982		C00117	R5P/X5P_13C_5	UM_Target_ID				
Sedoheptulose 7-phosphate	165007		C05382	S7P	UM_Target_ID				
Sedoheptulose 7-phosphate_13C_1	165007		C05382	S7P_13C_1	UM_Target_ID				
Sedoheptulose 7-phosphate_13C_2	165007		C05382	S7P_13C_2	UM_Target_ID				
Sedoheptulose 7-phosphate_13C_3	165007		C05382	S7P_13C_3	UM_Target_ID				
Sedoheptulose 7-phosphate_13C_4	165007		C05382	S7P_13C_4	UM_Target_ID				
Sedoheptulose 7-phosphate_13C_5	165007		C05382	S7P_13C_5	UM_Target_ID				
Sedoheptulose 7-phosphate_13C_6	165007		C05382	S7P_13C_6	UM_Target_ID				
Sedoheptulose 7-phosphate_13C_7	165007		C05382	S7P_13C_7	UM_Target_ID				
Sucrose	5988		C00089	SUC	UM_Target_ID				
Sucrose_13C_1	5988		C00089	SUC_13C_1	UM_Target_ID				
Sucrose_13C_2	5988		C00089	SUC_13C_2	UM_Target_ID				
Sucrose_13C_3	5988		C00089	SUC_13C_3	UM_Target_ID				
Sucrose_13C_4	5988		C00089	SUC_13C_4	UM_Target_ID				
METABOLITES_END
#END