#METABOLOMICS WORKBENCH STUDY_ID:ST000154 ANALYSIS_ID:AN000246 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                    	AQM011
CH:METHODS_FILENAME              	ALPHA_KETO_ACIDS-FULL.M.zip
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent DB5-MS (30m × 0.25mm, 0.25um)
CH:CHROMATOGRAPHY_TYPE           	GC
#ANALYSIS
AN:LABORATORY_NAME               	MRC2 (University of Michigan)
AN:ANALYSIS_TYPE                 	MS
AN:ACQUISITION_PARAMETERS_FILE   	ALPHA_KETO_ACIDS-FULL.M
#MS
MS:INSTRUMENT_NAME               	Agilent 5975C
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	GCMS
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Area
MS_METABOLITE_DATA_START
Samples	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: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	
Asparagine	347905.9258	487542.0262	249479.8740	238969.3327	276367.1229	283459.9889	270962.2157	324448.3480	526459.0361	568108.3298	562721.2500	316608.3761	331395.4332	325389.1555	213364.3024	159343.3498	234926.8353	492934.7125	585060.8853	531257.5954	327831.1158	367583.4295	326356.0296	314436.0907	258133.5129	237926.0970
Asparagine_1		232.7683	2647.2562	1016.1461		4868.4361	2991.0253	5053.3959				2352.8367	2652.8966	3690.8528	6516.3158	4203.8023	6861.2974		564.4186		2091.6683	1543.4484	1809.9524	5782.8401	2259.5801	4944.0144
Asparagine_2	1623.1846		1143.3878	180.9720	2697.8437			1071.3199	976.4687	170.2294	4281.9577			1574.2909		170.2917	386.5338			2168.9122	1027.9035		846.9982	75.3033	326.0384	
Asparagine_3		1660.7184		366.6709			224.5980	18.1598	426.7256	1054.2254		684.3197	548.6004		604.5416	64.0471		2102.7453	1285.6709	383.2123		714.9047	37.9854		408.7457	
Aspartate	193311.3010	296255.3024	308569.5338	266032.3964	288991.2364	613136.9247	699104.4344	814597.3558	475259.5636	533685.7197	525415.7288	243322.2839	252816.7784	242965.7803	335197.2967	233367.8296	368857.0483	138766.5191	133943.8481	135275.0131	100246.0413	105994.3057	107294.6600	144748.4749	122671.2079	108740.5441
Aspartate_13C_1	15101.1755	26206.5212	277203.5708	238619.4522	257200.2166	203.1683			36633.7431	14601.0769	40249.3724	228002.8882	237930.3149	229045.2478	1613.5852	1693.5889	3332.1937	9569.5554	9987.9477	10329.3626	58610.2146	62390.9504	61191.9121		570.4963	
Aspartate_13C_2	39581.4953	59539.4459	2528.6037	2177.5906	2224.4988		2366.3866		106816.5274	107451.1939	120149.6800		3026.6571	1778.4352			1888.2719	21120.0935	21602.1086	22368.2503	1359.8028	2284.6013		164.1196	155.3086	93.5522
Aspartate_13C_3	8048.2995	13148.9862			1949.9157	1553.0890	391.0015	3585.3512	14767.0862	16716.9557	15055.7171	1710.9147	1452.7733	961.5561	756.4837	595.8256		6018.8177	5913.6865	6355.2641	731.7871	305.3048	1305.5160	1279.9291	753.0703	161.9411
Cysteine	51596.9634	83188.0145	41571.6617	37580.1870	42386.7403	39774.4993	46431.8159	44535.3642	89015.6278	88922.6847	99098.2116	74674.9938	77512.9067	75257.5389	43108.5253	31257.2110	48924.0581	38223.8342	40961.7023	28951.2455	51255.1110	57494.4058	56962.8439	50184.5908	42929.5480	38687.1425
Cysteine_1	1019.5537	1442.8577	907.8910	929.5582	96.3027	1204.2301		1733.7845	1609.9079	1865.0217	2253.6432	1560.6663		1130.3448	632.5898	964.6998	1267.6040	3640.5579	4627.1166	3293.8963	1620.4794	283.0262	481.9747		542.7973	55.9324
Cysteine_2	1160.4634		59.6960					699.8628	375.8634	577.0073	971.7617				188.5043			976.2499	907.2493	883.7913	90.6427			887.9408		181.4646
Cysteine_3	28148.4672	31321.1298	7147.6086	7543.2409	4338.4313	6786.4434	13072.3200	13104.9974	6695.1328	4803.9222	7242.0467	4098.2488	3538.3616	3228.7840	3933.5411	1957.2619	4826.7918	17455.1618	6548.6092	16750.5800	8102.6719	8774.5813	10604.1438	18984.7356	16184.8135	14776.6317
Glutamate	7219419.9830	9843357.9780	4908159.7410	4336134.3990	4686839.3420	9511826.0810	10423484.6600	10722566.5300	9285286.8150	9292879.7310	10091605.1300	4435380.3490	4707202.4260	4501425.7250	6341146.5430	4357909.6490	6870020.6960	10673473.3000	10938976.4900	10667152.0200	5233718.4440	5599012.1850	5607648.2920	8933893.3470	8259703.2780	7329544.0680
Glutamate_13C_1	544320.8857	815980.3015	4726640.2480	4209660.0780	4552105.0840	277186.0597	313171.2181	412571.6753	702804.2436	692381.3358	815860.2126	4672503.9370	4917114.3410	4737612.3470	115323.9982	53226.0150	146548.6168	1170493.9650	1237966.6960	1188315.7300	4609026.4020	4939781.4880	4956389.9680	239059.4522	195500.6850	160434.5267
Glutamate_13C_2	1509810.0110	2098692.7220	122362.7907	109976.2547	123576.0761	43184.1712	72500.1073	84311.4752	2035669.2270	2030714.3230	2200261.6880	131733.6600	131772.6022	125984.1948	12578.1143	5639.0063	20468.2544	2851048.1370	2912613.2430	2826454.9580	153659.7161	148587.7118	145550.1481	36554.5505	30893.9452	21590.1699
Glutamate_13C_3	323806.7339	465151.2400	24413.9165	16117.1932	12951.9571				308864.2520	313245.7762	332749.3317	18905.7199	23737.1697	16415.8107				733327.5150	742499.9933	735271.0417	15008.1653	19088.3494	21480.7354			
Glutamine	1207381.5340	1805070.7560		1386.1953	3372.0393	1652.9218	2460.2909		2367175.4710	2292475.6290	2605805.3670	2109.6051	2508.7110	1628.9924	885.4876		1033.0730	2466856.2750	2478211.7840	2465617.3220	715.9466	1612.3423	458.3157	1861.4610	1289.6145	
Glutamine_1	6473.2533	7711.1019	4299044.9310	3869990.2070	4030831.5230	3144316.5310	3360797.4590	3496376.7530	9625.7784	15434.5878	23658.8499	4831121.3120	5171862.9400	4786637.3890	2155991.1840	1398791.4990	2264813.4320	13412.0902	16044.5708	19110.8041	6040444.6860	6528963.6040	6702480.8650	4090803.6470	3538186.2320	3139608.2480
Glutamine_2	4287.9792	139.6284	59269.6575	63040.4696	49140.3206	37937.2172	43921.2824	45388.5652	10960.1273	5073.0795	5513.7349	81567.1278	74819.7069	81289.7177	21248.0585	16010.6836	14583.6280	17354.7119	16099.4421	14040.1263	118409.8209	141107.9544	151630.5575	65739.0627	43184.4408	41344.3966
Glutamine_3	1381.3705	1468.4383	2609.1612						1405.7720	3667.1519	3764.4780	2150.1108	9635.8355	3518.0151				875.1091	6388.2177	3090.0303	3440.3470	14964.3130	17761.5081	4939.0555		3257.8320
Glycine	2790695.8370	3817840.5030	735416.9688	878452.9121	486913.9714	556057.9392	1073410.2850	1150332.7110	2370436.2340	1235020.0160	2248589.3340	1131849.8870	708209.5497	741386.0568	980528.1327	693329.3502	1050895.7010	2480067.6370	1313769.9180	1428829.1820	351999.4694	384222.9477	669631.5879	588641.7612	510188.4749	458178.5644
Glycine_1		2344.2889	6926.8724	9716.0310	499.2921				34221.6497	21963.9849	51319.6258	40067.9806	23598.7660	30874.4222												
Glycine_2							3076.0002				224.6742						746.4594		933.6726				1656.7934			
Isoleucine	2297.0714	28507.7494	21195.0619	2934.2951	4636.2425	388.2074	2954.1559	2663.7957	11361.3260	1892.4738	793.8100	2328.6437	13823.8947	1413.0500	3301.1921	3220.9018	1594.3135	20716.6969	3036.2380	27533.9707	1792.1503	17150.3856	20808.4821	1781.6694	6563.9034	5721.7199
Isoleucine_1	2356.0631				335.3533	1192.9867	318.1586	88.3177		1200.8889	2386.5202	1358.2959		720.6870	1275.1358	610.7799	354.5998				451.6529					
Isoleucine_2	2598.2898		1441.1354	2064.0787	4349.7951		1258.6493	903.8792				839.2147		679.0337		328.2588	422.8597	4052.0661	2280.8939	857.8174	1842.3365		175.4664			
Isoleucine_3																										
Leucine	527171.8673	815108.8686	446404.0361	374490.9274	417697.5094	390088.6859	422518.8942	452075.0741	480340.9536	485902.2138	532079.8277	378120.4598	401480.5456	381564.0423	258226.3541	177478.8709	278587.9445	768602.1089	828300.5443	815910.1195	504824.7770	545657.2722	540398.7296	449586.6765	401225.9917	355012.1215
Leucine_1	4390.7320	3247.3544	1205.4423	4410.2966	3709.8196	3036.0484	2923.5861	4195.4478	3056.7629	3225.2055	1571.5597	3637.7390	6808.0550	3786.6923	1130.3198	5186.0091	1410.8680	2421.3058	6052.7935	4990.5170	4163.3060	5953.5621	6549.6689	578.7495	3709.4152	2063.1564
Leucine_2																										
Leucine_3	756.0291		829.3216	2863.5764	0.7716	1237.2692	524.9623	205.6948	13.7154		404.9793		467.6464	1398.4914	674.3799		215.9858	958.9058	133.2897	1108.3734	1720.5762	240.4754		422.4751	860.6707	1261.6993
Lysine	10096.8350	13449.1963	4837.9247	6855.1173	4882.8701	1752.7383	2702.8806	4839.5507	5329.4324	2988.1565	5099.1991	2186.0852	497.9204	2473.7830	3910.9436	2254.5122	3467.6575	10069.5025	5316.0196	6238.5767	7586.4576	3317.9515	1370.6930	4425.3557	3369.3300	3531.2802
Lysine_1	1414.2603	2656.0111					1393.6657	1407.4433	566.6657	1481.2107	685.6527	601.7290	2172.3606	523.3730	1073.2332	630.4322	577.3514	2040.5716	1212.3683	2087.8485	701.9722	2064.4942	1462.3924	683.0734	1725.8310	383.5705
Lysine_2	552.7760	616.0488	20.6299		214.8891	279.5040	950.0639	174.9330	369.1321		787.8764	214.1169	594.0841	672.8540	433.0389	648.7401	821.2194	673.5849	84.7466	414.3190	34.0928			769.7956	427.1570	902.7131
Lysine_3		48.0941	1255.2289	447.7222	1672.9149	705.8088	98.9397	908.6890	72.9092		526.9812	1031.7365						243.0756	330.1802	545.5024	210.6368			25.9324	429.1073	50.2913
Methionine	68098.5573	102866.8670	50191.5902	45549.8054	48024.5116	44427.7541	50988.1954	52523.9413	59972.7325	57645.5386	66694.3629	45038.2834	47205.5528	44537.3784	29477.7598	20744.4874	31622.7274	95413.4044	94726.1647	93504.2866	60622.1473	64129.7637	63762.1808	49852.3599	45873.1551	39495.5741
Methionine_1	259.5921		2629.0373	2923.2804	2244.6333	482.6736	39.7567	1671.1912	788.7615	1077.2030	1184.5291	2513.3126	3165.1921	3631.1758	372.0551	1306.8180	110.9042	2049.7912	1501.1585	1057.6106	1989.7211		2982.8297	711.5058	631.5470	1311.5848
Methionine_2	2308.7947	5608.7933	2704.5406	1194.6704	1742.3353	1934.8409	2733.1085	2449.2980	2410.6453	2983.0041	3891.5357	1698.8092	1805.5680	1728.1719	1111.6217	763.4112	1741.6929	5031.3304	3984.1314	3293.7336	3012.8638	3762.6119	4191.3320	1884.5810	2334.7412	2524.1211
Methionine_3	372.2702	269.7918		669.3907	368.0314	160.8113	439.2448		386.8934	251.6324	209.3869	478.0558	482.1198	31.9094	516.2729	177.8158	124.2623		578.1935	160.5033	333.6286			417.2220	25.4617	95.8700
Phenylalanine	61455.1598	96468.4228	51642.4368	42652.3278	45475.8486	43981.3088	49466.5868	50952.0509	58141.4656	59979.1220	64626.7225	43952.8038	47834.7016	44085.7430	28469.6290	19741.0265	29871.1700	91811.5452	94170.2187	91721.5426	56569.4287	61150.0708	60324.3433	50397.8383	43243.6478	37924.8652
Phenylalanine_1																										
Phenylalanine_2																										
Phenylalanine_3			1164.1845	7.5427			70.1109	966.1929		331.5468	162.5346		98.4060			251.1186	82.4725	1231.8818		232.4850				1642.2914	114.7851	245.8840
Proline	81584.2795	131609.8213	26011.5734	20063.5396	19670.6985	18311.0110	27556.6408	35155.1723	50637.4711	43018.3226	54509.7327	27185.8424	25849.8655	24059.4120	24581.1031	16955.9678	25700.9205	106704.8715	78170.0654	83459.4737	36064.6321	35558.1082	37911.7826	43767.4776	38261.6466	33469.0152
Proline_1						1326.7533	1584.1841	519.8727		1505.5276					656.8599	466.9653							211.1191	719.3290		
Proline_2			4195.4746	3001.1464	3768.6452							4069.5366	3878.8808	3769.6155							7456.6705	6500.5503	6097.0469			
Serine	404682.8491	584757.7783	253367.4468	240918.5914	239364.8763	249356.0183	280226.1069	301676.2234	581877.0954	546619.9073	624870.4779	309646.2429	307957.4328	302044.7717	220769.7545	159512.3890	244131.6054	732644.7985	688354.2607	677244.4024	214106.1353	223938.0577	230070.3026	169685.8583	145521.1248	128656.2349
Serine_1	2660.1231	63.2435	3836.2658	1288.7277	3991.1790				40539.9633	36098.5315	42723.3018	16748.9205	16033.5475	14698.4761												
Serine_2	10603.5523	17645.2535				724.2904	2580.7523	1624.1482	17081.7850	14048.1457	18653.9761				648.4298	1769.3910		7764.6363	6077.8617	4510.7763	618.3125	2152.3831	1391.5641	742.9934	424.1223	
Serine_3			435.0411	541.1025	550.7198							814.0968	261.7622		170.6476			343.6500			494.0493			379.0415	371.0092	737.8674
Threonine	102397.2082	158849.4992	66329.7695	57912.8803	60874.4272	60890.5673	68818.4874	69281.8630	105077.9209	102846.5982	118262.8077	67790.6258	70246.7886	68099.9381	43194.2483	26836.3409	47832.4946	158158.8626	158591.1876	157578.5639	76423.6679	81442.6069	84605.9160	65220.4386	56521.0799	50325.5886
Threonine_1	10070.3505	16597.6321	6916.3911	7074.8698	4810.2832	7293.6045	6795.9802	7041.6760	10791.3514	10975.1514	11210.6522	6558.4863	6661.6282	6259.5766	4980.6073	2838.8789	5270.0403	14187.1077	16275.0580	15397.4651	8512.1587	7820.8245	7406.5764	5423.6824	6255.2992	4167.7767
Threonine_2	3301.9305	6371.4399	2887.5616	1960.3295	2533.1278	2272.9020	3255.9772	3236.1384	2967.6615	3673.5857	4247.4908	2268.5953	3213.2127	3085.3767	1162.3217	1266.6803	1977.9409	7457.5657	4539.1024	5685.6096	2858.4977	3067.1903	4009.6783	3184.1704	2299.2191	2217.1750
Threonine_3	248.3424	686.6445	97.3355	288.4846	733.7857		165.5950	235.2024	460.2135	354.4509	467.4643	1000.9088	389.5167	232.9163		37.1440	115.1857	296.0970	702.0207	1077.2482	173.2892	565.5949	195.0423	9.0738	862.0357	29.7295
Tryptophan	9471.3446	1686.8955	6946.2291	8852.4419	6939.6221	6300.4640	10151.4931	8104.4536	8362.4606	6806.0463	8033.8045	6929.2695	6174.8289	6424.0565	3480.3633	2078.2361	4163.3991	13495.2293	11547.0352	11236.9818	8776.0563	8472.7485	9721.4771	5693.0278	5341.8165	7615.5840
Tryptophan_1		6052.6100	5383.7363		1445.0240	1546.2472		266.4619	3064.9189		1766.2941			1210.1889			653.6618		1965.4174	1018.2447		118.6511		1179.0653	902.4915	
Tryptophan_2		340.5951		4087.0931	578.6793	697.1410	1443.9096			2722.4904	3665.4307	1113.3923		691.7854	1643.3812	180.2323	340.0288	4921.8357		179.3766	882.1454	1111.5728	470.8945	2204.4462	1656.6419	
Tryptophan_3	1818.3985		900.8164		650.0426	694.2079	158.5208	624.0779	2216.2647		6.6717	1873.6461		1142.8734		512.7850			1172.4454	226.8306	832.7416	690.1148	1939.6249			644.4997
Tryptophan_4																										
Valine	906770.3361	1410133.2540	1613444.1920	1380105.4480	1123557.6370	1341144.3940	1716751.8660	1857707.8070	1497523.5300	1301096.4290	1687652.3490	1465137.1340	1471026.2220	1478511.7810	1057704.2490	705415.9566	1156405.0620	1561701.1010	1419251.6420	1408983.9590	1173871.5450	1296526.5050	1584551.5980	1324935.8880	1166257.6340	1039804.8840
Valine_1					5358.8394	2367.0914					1111.3906	1742.4174	3811.9432					2433.7344	2063.2570	895.0300	4132.2424	6308.6996			888.3474	
Valine_2	719.3009								1179.0539	2150.8401			1209.6872		1494.5050	1793.9247		1248.0966			1154.4975			1063.5075		
Valine_3			101.7118						509.3521
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	
Asparagine	6267		C00152	Asn	UM_Target_ID				
Asparagine	6267		C00152	ASN_13C_1	UM_Target_ID				
Asparagine	6267		C00152	ASN_13C_2	UM_Target_ID				
Asparagine	6267		C00152	ASN_13C_3	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				
Cysteine	594		C00097	Cys	UM_Target_ID				
Cysteine	594		C00097	CYS_13C_1	UM_Target_ID				
Cysteine	594		C00097	CYS_13C_2	UM_Target_ID				
Cysteine	594		C00097	CYS_13C_3	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				
Glutamine	5961		C00064	Gln	UM_Target_ID				
Glutamine	5961		C00064	GLN_13C_1	UM_Target_ID				
Glutamine	5961		C00064	GLN_13C_2	UM_Target_ID				
Glutamine	5961		C00064	GLN_13C_3	UM_Target_ID				
Glycine	750		C00037	Gly	UM_Target_ID				
Glycine	750		C00037	GLY_13C_1	UM_Target_ID				
Glycine	750		C00037	GLY_13C_2	UM_Target_ID				
Isoleucine	6306		C00407	Ile	UM_Target_ID				
Isoleucine	6306		C00407	ILE_13C_1	UM_Target_ID				
Isoleucine	6306		C00407	ILE_13C_2	UM_Target_ID				
Isoleucine	6306		C00407	ILE_13C_3	UM_Target_ID				
Leucine	6106		C00123	Leu	UM_Target_ID				
Leucine	6106		C00123	LEU_13C_1	UM_Target_ID				
Leucine	6106		C00123	LEU_13C_2	UM_Target_ID				
Leucine	6106		C00123	LEU_13C_3	UM_Target_ID				
Lysine	5962		C00047	Lys	UM_Target_ID				
Lysine	5962		C00047	LYS_13C_1	UM_Target_ID				
Lysine	5962		C00047	LYS_13C_2	UM_Target_ID				
Lysine	5962		C00047	LYS_13C_3	UM_Target_ID				
Methionine	6137		C00073	Met	UM_Target_ID				
Methionine	6137		C00073	MET_13C_1	UM_Target_ID				
Methionine	6137		C00073	MET_13C_2	UM_Target_ID				
Methionine	6137		C00073	MET_13C_3	UM_Target_ID				
Phenylalanine	6140		C00079	Phe	UM_Target_ID				
Phenylalanine	6140		C00079	PHE_13C_1	UM_Target_ID				
Phenylalanine	6140		C00079	PHE_13C_2	UM_Target_ID				
Phenylalanine	6140		C00079	PHE_13C_3	UM_Target_ID				
Proline	145742		C00148	Pro	UM_Target_ID				
Proline	145742		C00148	PRO_13C_1	UM_Target_ID				
Proline	145742		C00148	PRO_13C_2	UM_Target_ID				
Serine	5951		C00065	Ser	UM_Target_ID				
Serine	5951		C00065	SER_13C_1	UM_Target_ID				
Serine	5951		C00065	SER_13C_2	UM_Target_ID				
Serine	5951		C00065	SER_13C_3	UM_Target_ID				
Threonine	6288		C00188	Thr	UM_Target_ID				
Threonine	6288		C00188	THR_13C_1	UM_Target_ID				
Threonine	6288		C00188	THR_13C_2	UM_Target_ID				
Threonine	6288		C00188	THR_13C_3	UM_Target_ID				
Tryptophan	6305		C00078	Trp	UM_Target_ID				
Tryptophan	6305		C00078	TRP_13C_1	UM_Target_ID				
Tryptophan	6305		C00078	TRP_13C_2	UM_Target_ID				
Tryptophan	6305		C00078	TRP_13C_3	UM_Target_ID				
Tryptophan	6305		C00078	TRP_13C_4	UM_Target_ID				
Valine	6287		C00183	Val	UM_Target_ID				
Valine	6287		C00183	VAL_13C_1	UM_Target_ID				
Valine	6287		C00183	VAL_13C_2	UM_Target_ID				
Valine	6287		C00183	VAL_13C_3	UM_Target_ID				
METABOLITES_END
#END