#METABOLOMICS WORKBENCH ychen209_20230919_041456 DATATRACK_ID:4325 STUDY_ID:ST002927 ANALYSIS_ID:AN004800 PROJECT_ID:PR001819
VERSION             	1
CREATED_ON             	October 13, 2023, 10:36 am
#PROJECT
PR:PROJECT_TITLE                 	O-GlcNAcase activity maintains stress granules for proximity-enhanced ATP
PR:PROJECT_TITLE                 	production to ensure recovery from stress
PR:PROJECT_SUMMARY               	Accurate disassembly of stress granules (SGs) after environmental stimuli
PR:PROJECT_SUMMARY               	release is essential for cells to maintain homeostasis , which requires
PR:PROJECT_SUMMARY               	ATP-consuming processes. However, the molecular mechanism whereby regulation of
PR:PROJECT_SUMMARY               	SGs programmatically disassembly and ATP restoration remain poorly understood in
PR:PROJECT_SUMMARY               	mammalian cells. Here we found that defect of OGA in cells leads to aggregates
PR:PROJECT_SUMMARY               	formation, severe autophagy and eventually apoptosis during stress recovery.
PR:PROJECT_SUMMARY               	OGA, which localized in SGs, had no effect on SGs formation but could protect
PR:PROJECT_SUMMARY               	SGs from rapid disassembly during stress recovery stage. Then the SGs localized
PR:PROJECT_SUMMARY               	glycolysis-related enzymes were reserved and concentrated in SGs during stress
PR:PROJECT_SUMMARY               	release for ATP production in a proximity manner, which was vital to guarantee
PR:PROJECT_SUMMARY               	cells resistant to stress and survival during recovery. Finally, supplementation
PR:PROJECT_SUMMARY               	of ATP to OGA knockdown cells during stress recovery significantly rescue cell
PR:PROJECT_SUMMARY               	from aggregates, autophagy and apoptosis. Together, these results describe a
PR:PROJECT_SUMMARY               	brand new mechanism on how OGA regulates the programmed disassembly of stress
PR:PROJECT_SUMMARY               	granules and restoration of ATP to safeguard cell viability in a very precisely
PR:PROJECT_SUMMARY               	programmed process, whose rate is rigorous regulated.
PR:INSTITUTE                     	Zhejiang University
PR:DEPARTMENT                    	Life Sciences Institute
PR:LABORATORY                    	Shixian Lin
PR:LAST_NAME                     	Chen
PR:FIRST_NAME                    	Yulin
PR:ADDRESS                       	Life Sciences Institute, Zhejiang University, Hangzhou, Zhejiang province, China
PR:EMAIL                         	ychen209@qq.com
PR:PHONE                         	18868107794
#STUDY
ST:STUDY_TITLE                   	O-GlcNAcase activity maintains stress granules for proximity-enhanced ATP
ST:STUDY_TITLE                   	production to ensure recovery from stress
ST:STUDY_SUMMARY                 	Accurate disassembly of stress granules (SGs) after environmental stimuli
ST:STUDY_SUMMARY                 	release is essential for cells to maintain homeostasis , which requires
ST:STUDY_SUMMARY                 	ATP-consuming processes. However, the molecular mechanism whereby regulation of
ST:STUDY_SUMMARY                 	SGs programmatically disassembly and ATP restoration remain poorly understood in
ST:STUDY_SUMMARY                 	mammalian cells. Here we found that defect of OGA in cells leads to aggregates
ST:STUDY_SUMMARY                 	formation, severe autophagy and eventually apoptosis during stress recovery.
ST:STUDY_SUMMARY                 	OGA, which localized in SGs, had no effect on SGs formation but could protect
ST:STUDY_SUMMARY                 	SGs from rapid disassembly during stress recovery stage. Then the SGs localized
ST:STUDY_SUMMARY                 	glycolysis-related enzymes were reserved and concentrated in SGs during stress
ST:STUDY_SUMMARY                 	release for ATP production in a proximity manner, which was vital to guarantee
ST:STUDY_SUMMARY                 	cells resistant to stress and survival during recovery. Finally, supplementation
ST:STUDY_SUMMARY                 	of ATP to OGA knockdown cells during stress recovery significantly rescue cell
ST:STUDY_SUMMARY                 	from aggregates, autophagy and apoptosis. Together, these results describe a
ST:STUDY_SUMMARY                 	brand new mechanism on how OGA regulates the programmed disassembly of stress
ST:STUDY_SUMMARY                 	granules and restoration of ATP to safeguard cell viability in a very precisely
ST:STUDY_SUMMARY                 	programmed process, whose rate is rigorous regulated.
ST:INSTITUTE                     	Zhejiang University
ST:DEPARTMENT                    	Life Sciences Institute
ST:LABORATORY                    	Shixian Lin
ST:LAST_NAME                     	Chen
ST:FIRST_NAME                    	Yulin
ST:ADDRESS                       	Life Sciences Institute, Zhejiang University, Hangzhou, Zhejiang province, China
ST:EMAIL                         	ychen209@qq.com
ST:PHONE                         	18868107794
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#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           	-	QC-1	Factor:QC	RAW_FILE_NAME=00QC; Other=QC-1
SUBJECT_SAMPLE_FACTORS           	-	QC-2	Factor:QC	RAW_FILE_NAME=00QC; Other=QC-2
SUBJECT_SAMPLE_FACTORS           	-	QC-3	Factor:QC	RAW_FILE_NAME=00QC; Other=QC-3
SUBJECT_SAMPLE_FACTORS           	-	C1	Factor:noStressHeLa	RAW_FILE_NAME=01C1; Other=noStressHeLa-1
SUBJECT_SAMPLE_FACTORS           	-	C2	Factor:noStressHeLa	RAW_FILE_NAME=02C2; Other=noStressHeLa-2
SUBJECT_SAMPLE_FACTORS           	-	C3	Factor:noStressHeLa	RAW_FILE_NAME=03C3; Other=noStressHeLa-3
SUBJECT_SAMPLE_FACTORS           	-	C4	Factor:noStressKDOGA	RAW_FILE_NAME=04C4; Other=noStressKDOGA-1
SUBJECT_SAMPLE_FACTORS           	-	C5	Factor:noStressKDOGA	RAW_FILE_NAME=05C5; Other=noStressKDOGA-2
SUBJECT_SAMPLE_FACTORS           	-	C6	Factor:noStressKDOGA	RAW_FILE_NAME=06C6; Other=noStressKDOGA-3
SUBJECT_SAMPLE_FACTORS           	-	C7	Factor:StressHeLa	RAW_FILE_NAME=07C7; Other=StressHeLa-1
SUBJECT_SAMPLE_FACTORS           	-	C8	Factor:StressHeLa	RAW_FILE_NAME=08C8; Other=StressHeLa-2
SUBJECT_SAMPLE_FACTORS           	-	C9	Factor:StressHeLa	RAW_FILE_NAME=09C9; Other=StressHeLa-3
SUBJECT_SAMPLE_FACTORS           	-	C10	Factor:StressKDOGA	RAW_FILE_NAME=10C10; Other=StressKDOGA-1
SUBJECT_SAMPLE_FACTORS           	-	C11	Factor:StressKDOGA	RAW_FILE_NAME=11C11; Other=StressKDOGA-2
SUBJECT_SAMPLE_FACTORS           	-	C12	Factor:StressKDOGA	RAW_FILE_NAME=12C12; Other=StressKDOGA-3
SUBJECT_SAMPLE_FACTORS           	-	C13	Factor:RecoveryHeLa	RAW_FILE_NAME=13C13; Other=RecoveryHeLa-1
SUBJECT_SAMPLE_FACTORS           	-	C14	Factor:RecoveryHeLa	RAW_FILE_NAME=14C14; Other=RecoveryHeLa-2
SUBJECT_SAMPLE_FACTORS           	-	C15	Factor:RecoveryHeLa	RAW_FILE_NAME=15C15; Other=RecoveryHeLa-3
SUBJECT_SAMPLE_FACTORS           	-	C16	Factor:RecoveryKDOGA	RAW_FILE_NAME=16C16; Other=RecoveryKDOGA-1
SUBJECT_SAMPLE_FACTORS           	-	C17	Factor:RecoveryKDOGA	RAW_FILE_NAME=17C17; Other=RecoveryKDOGA-2
SUBJECT_SAMPLE_FACTORS           	-	C18	Factor:RecoveryKDOGA	RAW_FILE_NAME=18C18; Other=RecoveryKDOGA-3
#COLLECTION
CO:COLLECTION_SUMMARY            	Care was taken to quench cells quickly to minimize oxidation and degradation.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	HeLa cells of shControl or shOGA were treated with no stress, stress by 1 M
TR:TREATMENT_SUMMARY             	sorbitol for 1 hr, or recovery from stress for 2 hr.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Briefly, equal confluency of cells in 6-well plate with 3 biological replicates
SP:SAMPLEPREP_SUMMARY            	were rinsed by 1 mL HPLC-grade water rapidly and immediately quenched by
SP:SAMPLEPREP_SUMMARY            	directly added by 1 mL liquid nitrogen to the plate. Then, 1 mL ice-cold 90% MC
SP:SAMPLEPREP_SUMMARY            	buffer (MC, 9: 1 MeOH: CHCl3. 90% MC, 9 : 1 MC: water) with 5 µM methionine
SP:SAMPLEPREP_SUMMARY            	sulfone as internal signal was added to each well of plate and the cells were
SP:SAMPLEPREP_SUMMARY            	scraped and transferred to1.5-mL tubes. Extracts were centrifuged at 4 ℃ for 5
SP:SAMPLEPREP_SUMMARY            	min at 16,000 xg and the supernatants were transferred to new clean 1.5-mL tubes
SP:SAMPLEPREP_SUMMARY            	and equal volume of each sample was pooled for the QC sample. Finally, the
SP:SAMPLEPREP_SUMMARY            	extracts were dried using vacuum concentrator system and store at -80 ℃ until
SP:SAMPLEPREP_SUMMARY            	analysis. For targeted analysis, the dried extracts were resuspended by 100 µL
SP:SAMPLEPREP_SUMMARY            	60% acetonitrile and centrifuged at 4 ℃ for 15 min at 15,000 xg after 30 min
SP:SAMPLEPREP_SUMMARY            	incubation at 4 ℃. Only the supernatant was transferred to autosampler vials
SP:SAMPLEPREP_SUMMARY            	for MS analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Shimadzu 20AD
CH:COLUMN_NAME                   	Merck SeQuant ZIC-HILIC (150 x 2.1mm,5um)
CH:SOLVENT_A                     	100% water, 20 mM ammonium carbonate
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	0.01 min 80% B, 20 min 20% B, 20.5 min 80% B, 24 min 80% B.
CH:FLOW_RATE                     	0.15 mL/min
CH:COLUMN_TEMPERATURE            	45
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex Triple Quad 5500+
MS:INSTRUMENT_TYPE               	QTRAP
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The raw data were extracted with the software Analyst v1.7.2 and OS v1.7.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak intensity
MS_METABOLITE_DATA_START
Samples	QC-1	QC-2	QC-3	C1	C2	C3	C4	C5	C6	C7	C8	C9	C10	C11	C12	C13	C14	C15	C16	C17	C18
Factors	Factor:QC	Factor:QC	Factor:QC	Factor:noStressHeLa	Factor:noStressHeLa	Factor:noStressHeLa	Factor:noStressKDOGA	Factor:noStressKDOGA	Factor:noStressKDOGA	Factor:StressHeLa	Factor:StressHeLa	Factor:StressHeLa	Factor:StressKDOGA	Factor:StressKDOGA	Factor:StressKDOGA	Factor:RecoveryHeLa	Factor:RecoveryHeLa	Factor:RecoveryHeLa	Factor:RecoveryKDOGA	Factor:RecoveryKDOGA	Factor:RecoveryKDOGA
glycine	2754.232798	1838.235958	2553.051991	2376.729386	4544.026679	4799.458508	3573.96817	3062.692338	4237.807393	255.3120253	N/A	N/A	255.4126361	510.5393872	N/A	2093.282001	1991.250066	1531.569377	816.9092114	1787.214641	561.4471034
alanine	6421646.343	6312144.653	6086779.44	16030200.69	14367434.67	16645764.25	9896224.269	8758550.345	9096302.971	1624537.066	1627165.679	1653486.201	1340471.172	1344334.036	1224364.28	5242493.538	4447658.669	4689580.708	2348167.191	2465492.214	1779904.166
serine	5398499.464	5509023.25	5216107.908	7560128.863	6667797.797	7431813.188	7700659.246	6681999.516	7524135.381	2255251.864	2109233.914	2152192.805	1964352.775	2022437.871	1680638.777	9904753.725	8076304.367	7959127.698	4769065.829	5729632.891	3483853.115
proline	25548190.34	24966455.5	26202928.24	51874768	50955409.85	55717680.53	41045787.28	37148160.91	41918283.9	7795240.457	7649700.336	8019279.552	7108786.46	7092672.743	5753093.144	25872198.57	21131214.83	22986606.22	8962750.835	9341675.295	7184091.923
valine	1306945.416	1299042.884	1335533.215	2135666.715	1990844.884	2094108.683	1522917.419	1301608.445	1426013.994	531672.978	552522.2071	556015.9636	279022.1974	566530.445	449100.5563	2380686.563	1602764.166	1660529.458	1229406.489	1454425.525	862339.2991
threonine	21658148.44	20805787.94	21913473.85	42899320.98	37945506.85	43699632.07	29382214.99	24449877.96	26239899.03	7343102.404	7259367.185	7607085.787	6730049.578	7174549.579	6222316.264	28657564.84	24062847.75	24335427.18	16407839.17	17085336.54	11223537.03
cysteine	N/A	2757.255828	N/A	3036.308409	2013.882117	1224.866698	1989.297218	3033.636757	1877.211861	909.5795495	2348.619474	3318.981964	1938.710805	510.1630853	N/A	510.5173622	N/A	1378.247419	N/A	N/A	N/A
leucine-isoleucine	101637502.4	104562158.9	108332704.3	181063658	158663883.8	168029861.2	123391592.9	108240031.1	109749528	46246219.87	44183461.64	47135872.11	43429739.25	45935022.19	38317967.45	184646810.8	134582952.4	137276668.1	104015228	114794001.5	66513208.5
asparagine	408464.2108	400008.1662	272297.3787	870572.1802	741689.7358	877518.3384	586579.7045	498181.5131	555062.8853	113471.8837	128218.2965	120814.7075	93646.54678	90856.42847	90682.63498	564636.8289	504280.1795	512109.1022	160779.8997	182488.1808	145940.0214
aspartate	4692753.61	4465293.139	4465947.279	6253825.669	5444251.103	6167937.258	4692606.132	3897035.322	4661738.482	6385251.515	5630763.403	6393407.249	2802680.558	2703622.507	2490169.888	6035730.506	5384961.648	5525727.471	1697567.027	1726132.483	1621951.708
lysine	294597.2684	265075.4589	290852.4706	254766.7653	180345.1215	185335.7756	128743.7433	103661.2444	53628.04173	185496.1641	165239.231	194492.538	177701.4856	99290.21538	122291.9881	747537.0087	395391.1594	384103.8489	515275.54	676192.1863	315064.9033
glutamine	124880569.2	133792529.7	123528240.6	192482703.3	158084678.7	179279420.2	170669540.7	143222372.9	159660794.6	63483681.62	67871865.89	66715251.3	55756292.06	60938132.36	54826485.99	187279467.7	157138715.6	159393117.4	97878554.21	110317753.4	83367472.57
glutamate	68913505.4	71072456.95	67043744.37	94107873.93	82146769.58	89551766.69	66850536.61	61452491.79	69100890.56	82049341	82295630.59	85339167.55	53919328.03	55811216.47	50855809.06	81511961.93	73181296.57	77742547.81	35265954.79	36202614.37	35664107.64
methionine	13572806.78	13165814.35	13556924.21	22855196.56	19909700.64	20987005.95	15767816.85	14040311.05	14723911.32	6234052.123	5965729.267	6116399.933	5540980.693	5886828.364	4940780.297	24217204.78	16805811.55	17015953.72	12312361.25	14168967.18	8222974.568
histidine	35652483.04	21790643.24	37486707.86	60033976.14	46652375.49	56896364.83	42753483.7	37575991	26310701.68	15500529.87	15746471.88	16254144.21	15142707.82	15756043.17	13240435.99	60267551.73	46419820.93	27343825.44	37696698.91	48428154.3	27615302.07
arginine	2828693.25	1827787.743	3673090.13	2558072.011	1638811.527	1562210.512	1451544.548	1069980.658	971920.556	2239165.614	1999091.627	2109115.497	1947389.672	1739272.55	1756595.738	2328110.494	4146534.19	4254622.53	5182328.14	4535367.323	1998937.309
glucosamine	288559.7762	363415.6326	582454.7551	254693.7795	130079.2102	177028.7439	251918.0699	290418.3094	66732.47344	135945.9811	812187.9556	43560.37924	51351.18415	552150.1345	230985.0678	557859.1899	899743.5349	230274.3741	925356.9911	1009789.454	332029.9721
tyrosine	5650364.132	5541962.259	5644776.213	10225646.51	8749682.087	9510578.792	6516162.119	5877058.558	6366582.07	2444853.161	2428879.245	2599110.666	2345064.362	2465273.637	2056953.751	9624393.262	6781204.451	6989272.336	4830006.874	5287856.78	3084184.196
N-acetyl-glucosamine	156885.227	236457.2215	174806.0686	98729.69379	31785.42933	97148.09375	340991.2029	319929.183	230014.6925	59021.23878	40678.44183	61923.96357	607851.6373	384511.0059	473687.203	69347.3068	76081.80829	71896.92517	306938.2577	176926.5424	204659.754
D-glucosamine-6-phosphate	1530.654127	2757.235219	305.9093542	1735.184567	2413.853907	N/A	714.0122392	1326.464779	2708.785752	N/A	204.1744375	1020.758895	3620.536682	1528.576116	765.5514031	921.3919352	1887.590327	1428.616249	3306.046578	408.2596428	408.4106344
CMP	281580.6899	276614.8515	271815.1713	82928.53999	81931.59764	111961.6625	90745.73856	76106.00306	22700.81029	78341.25892	132753.2661	153555.5709	233213.1771	206452.355	207654.7725	670746.9302	609030.3999	721726.7074	413740.1	380140.5031	324677.7845
UMP	185186.1518	152313.771	175952.9251	103513.8162	66471.92798	125910.3602	70732.1265	94165.88042	88470.36644	85481.85046	83563.11025	83437.25584	101918.2588	136048.6386	110526.6383	303046.4141	276776.8768	291148.4636	251479.0465	208672.3507	205591.4626
AMP	4125173.965	4091801.61	4619889.443	2973471.35	2120225.214	2955623.635	2567458.592	2621105.676	2133015.208	3468911.338	3115985.325	3648140.228	6642544.404	6000021.549	6007364.345	5551086.219	2325347.315	5755177.476	6061302.629	5517629.715	5819165.65
GMP	517003.8808	597635.6525	556877.1962	261944.9734	188280.7934	267018.1388	303377.8084	291298.2186	207208.8002	226225.4007	193402.5874	278251.5282	828966.3227	372442.2879	382164.7853	802161.2655	750747.1559	842105.4598	1252428.669	1078861.261	1092978.276
NAD+_POS	4340350.753	4213055.166	4154910.522	8970081.326	8263167.188	9114621.064	7021511.316	6299694.428	6478868.111	3392870.776	3266382.04	3519689.816	2074604.581	2205528.309	1883988.884	2503775.568	2204843.282	2344039.789	727126.686	711786.4184	650807.438
NADH	135674.0266	140167.323	130319.2728	229937.3843	224251.3167	257709.1743	176232.3039	162242.4689	170667.3887	107691.7727	101359.3512	57133.94221	82668.24012	92579.28712	87470.70281	135319.9269	110297.4511	107257.9688	50065.47828	53401.78185	35468.83159
NADP+_pos	37833.93862	25060.10055	42447.67479	16857.50098	107419.8342	64159.53339	62549.90984	13274.58372	42282.14409	101366.2115	81199.91369	158417.89	98519.44547	131357.7365	60692.46861	23851.18825	42066.66165	56536.4525	20706.56753	45798.1336	60500.2813
NADPH	100564.861	109548.6376	98228.01369	73145.17238	74698.55123	55487.62773	68212.38957	66106.23654	52554.72213	151767.2009	75187.62455	121431.9926	101826.8082	135968.9049	101073.5574	76011.12587	64207.38847	78131.2822	87566.1024	84660.73666	111142.447
coenzyme A_pos	1378.57518	4571.957084	1025.793795	3372.224901	3613.86083	9950.01911	8934.655599	1644.718659	4901.773809	5969.798136	6692.787339	8577.301963	1281.708949	3837.225682	2552.921898	2808.050173	7350.359687	7120.707505	2450.641996	1531.989109	1838.132594
acetyl-CoA_pos	7301.617624	27270.73512	22295.75274	41735.72944	11460.42269	14262.33163	27267.63975	4414.829768	23265.00712	12529.39532	25383.0575	42374.40918	30240.66943	26361.73775	35142.39007	33572.45474	11471.5735	4857.877701	55049.44799	11887.85478	11955.01256
succinyl-CoA_pos	5105.857807	3113.209217	1580.023742	19523.2897	6577.490387	5126.616281	4749.499384	7130.285432	5561.514833	357.3553357	1174.334019	408.4159679	N/A	204.1999997	N/A	2192.405029	612.5460743	3874.598985	N/A	306.3	N/A
phenylalanine	38810345.19	37612067.96	38549335.58	67194352.02	57966367.05	63346527.31	45528008.84	40811174.79	43494318.65	17287449.8	16490262.28	17481654.25	15467876.93	16579984.27	13705528.91	63967028.09	43386945.23	46348303.02	33039751.28	37819281.38	22246856.15
tryptophan	5037419.907	4952229.129	5057370.597	8694128.608	7929613.147	8248409.225	5997071.558	5462934.546	5663791.234	2685774.705	2565091.4	2644074.306	2415683.395	2500704.683	2060053.97	8534025.061	6148490.924	6281930.678	4065537.683	4809645.352	2749386.255
Methionine-sulfone	24148643.14	24127594.24	24678222.92	24189266.44	23439340.07	23895011.18	23406994.86	23557944.91	23345046.72	22286754.48	22522282.03	23602188.09	28047269.94	26078134.71	23611139.52	25136783.05	21952882.87	25390856.95	23074612.47	21924053.68	23942229.68
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Precursor ion (m/z)	Product ion (m/z)	Retention time (min)
glycine	76.1	30.5	8.51
alanine	90.1	44.2	7.8
serine	106	60	8.58
proline	116.1	70.1	6.36
valine	118.02	58	6.03
threonine	120	74	7.43
cysteine	122.1	59.1	9.06
leucine-isoleucine	1322.1	86	5.01
asparagine	133.1	74	8.18
aspartate	134	74	8.57
lysine	147	67	13.82
glutamine	147.1	84.1	8.01
glutamate	148.1	84.1	8.15
methionine	150.1	133	5.51
histidine	156.1	110.1	7.66
arginine	175.02	60	14.32
glucosamine	180	162	7.53
tyrosine	182.1	77	6.66
N-acetyl-glucosamine	222	138	4.8
D-glucosamine-6-phosphate	260	126	9.99
CMP	234	112	9.39
UMP	325	97	8.82
AMP	348.15	136	7.81
GMP	364	152
NAD+_POS	664.1	428	7.7
NADH	666.1	514	7.14
NADP+_pos	744.2	136	10.26
NADPH	746.15	729	10.26
coenzyme A_pos	768	261	8.15
acetyl-CoA_pos	810	303	7.21
succinyl-CoA_pos	868.1	361
phenylalanine	166.1	103	4.6
tryptophan	205	85	5.58
Methionine-sulfone	182.1	56	5.1
METABOLITES_END
#END