#METABOLOMICS WORKBENCH juliehaines_20241126_073648 DATATRACK_ID:5405 STUDY_ID:ST003610 ANALYSIS_ID:AN005933 PROJECT_ID:PR002231
VERSION             	1
CREATED_ON             	December 2, 2024, 3:15 pm
#PROJECT
PR:PROJECT_TITLE                 	Macrophages recycle phagocytosed bacteria to fuel immunometabolic responses
PR:PROJECT_SUMMARY               	Macrophages specialize in phagocytosis, a cellular process that eliminates
PR:PROJECT_SUMMARY               	extracellular matter, including microbes, through internalization and
PR:PROJECT_SUMMARY               	degradation. Despite the critical role of phagocytosis during bacterial
PR:PROJECT_SUMMARY               	infection, the fate of phagocytosed microbial cargo and its impact on host cell
PR:PROJECT_SUMMARY               	is poorly understood. Here, we reveal that ingested bacteria constitute an
PR:PROJECT_SUMMARY               	alternative nutrient source that skews immunometabolic host responses. Tracing
PR:PROJECT_SUMMARY               	stable isotope-labelled bacteria, we found that phagolysosomal degradation of
PR:PROJECT_SUMMARY               	bacteria provides carbon atoms and amino acids that are recycled into various
PR:PROJECT_SUMMARY               	metabolic pathways, including glutathione and itaconate biosynthesis, and
PR:PROJECT_SUMMARY               	satisfy macrophage bioenergetic needs. Metabolic recycling of
PR:PROJECT_SUMMARY               	microbially-derived nutrients is regulated by the nutrient sensing mTORC1 and
PR:PROJECT_SUMMARY               	intricately tied to microbial viability. Dead bacteria, as opposed to live ones,
PR:PROJECT_SUMMARY               	are enriched in cyclic- adenosine monophosphate (AMP), sustain the cellular AMP
PR:PROJECT_SUMMARY               	pool and subsequently activate AMP protein kinase (AMPK) to inhibit mTORC1.
PR:PROJECT_SUMMARY               	Consequently, killed bacteria strongly fuel metabolic recycling and support
PR:PROJECT_SUMMARY               	macrophage survival, but elicit decreased reactive oxygen species (ROS)
PR:PROJECT_SUMMARY               	production and a reduced IL-1β secretion compared to viable bacteria. These
PR:PROJECT_SUMMARY               	results reveal a novel insight into the fate of engulfed microbes and highlights
PR:PROJECT_SUMMARY               	a microbial viability-associated metabolite that triggers host metabolic and
PR:PROJECT_SUMMARY               	immune responses. Our findings hold promise for shaping immunometabolic
PR:PROJECT_SUMMARY               	intervention in various immune-related pathologies.
PR:INSTITUTE                     	University of Colorado Anschutz Medical Campus
PR:LABORATORY                    	Lab of Angelo D'Alessandro in collaboration with lab of Johan Garaude (INSERM,
PR:LABORATORY                    	Fr)
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                   	13C-tracing metabolomics of peritoneal macrophages 1hour and 2hours after
ST:STUDY_TITLE                   	engulfment of 13C-labeled heat-killed E coli
ST:STUDY_SUMMARY                 	13C-tracing analysis at 1h and 2h of peritoneal macrophages isolated from
ST:STUDY_SUMMARY                 	C57BL6/N mice injected with uniformly 13C-labelled and DAPI labeled heat-killed
ST:STUDY_SUMMARY                 	E. coli.
ST:INSTITUTE                     	University of Colorado Anschutz Medical Campus
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                  	Cultured cells
SU:SUBJECT_SPECIES               	Mus musculus
SU:GENDER                        	Not applicable
#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           	-	AA83PM-1_r19-	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-1_r19-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-2_r10-	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-2_r10-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-3_r17-	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-3_r17-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-4_r15-	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-4_r15-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-5_r9-	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-5_r9-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-6_r3-	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-6_r3-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-7_r16-	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-7_r16-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-8_r5-	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-8_r5-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-9_r13-	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-9_r13-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-10_r6-	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-10_r6-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-11_r2-	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-11_r2-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-12_r18-	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-12_r18-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-13_r7-	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-13_r7-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-14_r8-	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-14_r8-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-15_r12-	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-15_r12-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-16_r14-	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-16_r14-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-17_r4-	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-17_r4-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-18_r11-	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-18_r11-
SUBJECT_SAMPLE_FACTORS           	-	AA83PM-19_r1-	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	RAW_FILE_NAME(raw file name)=AA83PM-19_r1-
#COLLECTION
CO:COLLECTION_SUMMARY            	Cells from the peritoneal cavity were harvested with cold PBS. Phagocytic cells
CO:COLLECTION_SUMMARY            	(DAPI+ cells) were sorted by flow cytometry, frozen as dry cell pellet, and
CO:COLLECTION_SUMMARY            	stored at -80˚C until processing.
CO:SAMPLE_TYPE                   	Macrophages
#TREATMENT
TR:TREATMENT_SUMMARY             	Preparation of macrophages: Mice were injected or not with 0.5 ml of
TR:TREATMENT_SUMMARY             	thioglycolate medium to increase peritoneal macrophage abundance. Four days
TR:TREATMENT_SUMMARY             	later, mice were injected with 1E9 killed U-[13C]Bacteria previously labeled
TR:TREATMENT_SUMMARY             	with DAPI. One or two hours later, peritoneal cells were harvested, and sorted
TR:TREATMENT_SUMMARY             	by flow cytometry based on DAPI. Preparation of viable and killed
TR:TREATMENT_SUMMARY             	U-[13C]Bacteria: ThyA- E. coli were grown overnight with shaking in LB
TR:TREATMENT_SUMMARY             	supplemented with thymidine (500 ug/ml) and trimethoprim (50 ug/ml), diluted
TR:TREATMENT_SUMMARY             	1/40, and grown until log-phase [optical density at 600 nm (OD600) of 0.8-1.2].
TR:TREATMENT_SUMMARY             	Bacteria were washed with phosphate buffer saline (PBS) to remove LB salts
TR:TREATMENT_SUMMARY             	before addition to cells. For labeling of bacteria, 10 ul of an overnight
TR:TREATMENT_SUMMARY             	cultured of thyA- E. coli was added to 20 ml of a filtered M9 minimal medium
TR:TREATMENT_SUMMARY             	salts (Life Technologies) supplemented with 1 mM thiamine, 1 mM MgSO4, 0.1 M
TR:TREATMENT_SUMMARY             	CaCl2, 500 ug/ml thymidine, 50 ug/ml trimethoprim, and 0.5% U-[13C] glucose
TR:TREATMENT_SUMMARY             	(Campro Scientific). Bacteria were grown for 72h, washed with PBS and subjected
TR:TREATMENT_SUMMARY             	to heat-killing by re-suspension in PBS and subsequently incubation at 60˚C for
TR:TREATMENT_SUMMARY             	60-90 min. Bacteria were kept at 4˚C until use. Efficient killing was confirmed
TR:TREATMENT_SUMMARY             	by overnight plating on LB-agar plates. For DAPI labelling, killed bacteria were
TR:TREATMENT_SUMMARY             	incubated with 0.2 ug/ml of DAPI in PBS for 5min and washed 3 times with cold
TR:TREATMENT_SUMMARY             	PBS.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites from frozen pellets were extracted at 4e6 cells per mL using ice
SP:SAMPLEPREP_SUMMARY            	cold 5:3:2 methanol:acetonitrile:water (v/v/v) with vigorous vortexing at 4
SP:SAMPLEPREP_SUMMARY            	degrees C followed by centrifugation as described for 10 min at 18,000 g.
SP:SAMPLEPREP_SUMMARY            	Supernatants were maintained at 4°C until analysis that same day.
SP:PROCESSING_STORAGE_CONDITIONS 	4℃
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Negative C18
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Kinetex C18 (150 x 2.1mm,1.7um)
CH:SOLVENT_A                     	95% water/5% acetonitrile; 1 mM ammonium acetate
CH:SOLVENT_B                     	95% acetonitrile/5% water; 1 mM ammonium acetate
CH:FLOW_GRADIENT                 	0-0.5 min 0% B, 0.5-1.1 min 0-100% B, 1.1-2.75 min hold at 100% B, 2.75-3 min
CH:FLOW_GRADIENT                 	100-0% B, 3-5 min hold at 0% B
CH:FLOW_RATE                     	450 uL/min
CH:COLUMN_TEMPERATURE            	45
CH:SAMPLE_INJECTION              	10 uL
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Exploris 120
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	We use a Thermo Orbitrap Exploris 120. Resolution 120,000, scan range 65-975
MS:MS_COMMENTS                   	m/z, maximum injection time 100 ms, microscans 1, automatic gain control (AGC)
MS:MS_COMMENTS                   	detection duration 20 msec, source voltage 2.0 kV, capillary temperature 320 C,
MS:MS_COMMENTS                   	vaporizer temp 200 C, and sheath gas 50, auxiliary gas 10, and sweep gas 1 (all
MS:MS_COMMENTS                   	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	AA83PM-1_r19-	AA83PM-2_r10-	AA83PM-3_r17-	AA83PM-4_r15-	AA83PM-5_r9-	AA83PM-6_r3-	AA83PM-7_r16-	AA83PM-8_r5-	AA83PM-9_r13-	AA83PM-10_r6-	AA83PM-11_r2-	AA83PM-12_r18-	AA83PM-13_r7-	AA83PM-14_r8-	AA83PM-15_r12-	AA83PM-16_r14-	AA83PM-17_r4-	AA83PM-18_r11-	AA83PM-19_r1-
Factors	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:1h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:13C-labelled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells	Killed E coli labeling:Unlabeled KEC | Timepoint:2h | Sample source:cells
ADP	775710.69	1229823.62	1488447.62	686576.75	955402.81	413119.16	259618.81	369281.75	711871.31	331348.91	281276.09	446111.03	269246.41	253227.25	334667.25	230293.33	259736.05	229945.5	287624.31
AMP	1139820.62	1600551.5	2011828.88	1397026.88	1524229.5	437166.91	424943.41	792692	1191836.88	626192.44	344703.78	654159.44	356164.75	314061.5	1934660.62	3624747.25	1134967.88	4834486	1036974.56
Adenine	338989.25	245081.27	267469.72	327352.91	288457.28	432892.62	248050.61	309789.97	272683.62	656019.31	542233.06	887234.31	758108.94	759449.81	873062.81	802822.19	651217.31	745916	523926.91
Adenine 13C1	0	0	0	3160.25995	0	0	0	0	0	0	5058.5717	0	0	0	0	0	0	0	0
Citrate	27128682	45101092	43615888	21598714	26824802	5108305.5	4351005.5	4688781.5	6231690.5	4361508.5	1483650	1864554.88	1704246.12	1598007.5	2073350	1935391.88	2785719.75	2620453.25	2766194
Citrate 13C1	1864792.988	1850210.428	0	0	750131.818	0	2302.797	41550.891	100228.147	17365.529	66575.4	188182.7879	53047.06608	54365.985	14565.48	43254.58592	56357.6865	69484.7255	0
Citrate 13C2	1674249.081	1929285.393	307759.0319	175353.5318	870531.1625	41152.49124	6124.970042	18838.49779	49556.51618	96115.97897	122341.8806	164600.2789	147405.6039	114799.0493	22235.7474	37127.42297	107156.6148	52224.01564	62320.44894
Citrate 13C3	232077.14	226969.92	30800.25	19096.57	94495.16	0	0	0	14870.15	10520.12	50148.52	45329.86	16889.86	15282.44	0	0	3796.89	7610	2129.33
Citrate 13C4	644353.44	731912.19	2067.02	61260.79	436853.97	0	0	674.82	21363.8	89500.21	116590.54	157959.72	116474.12	76287.95	0	2291.59	19156.27	8857.6	8093.99
2-Oxoglutarate	57672.21	226745.27	249799.92	77013.72	53871.75	7437.14	0	19837.63	24908.78	71717.28	36736.71	39378.42	41125.47	21726.6	99641.04	51896.59	39307.18	26879.76	34181.55
Succinate	493472.25	773872.69	789158.19	341393.59	700532.5	275527.66	171200.8	264057.69	389344.97	479684.91	382421.22	367002.75	335504.25	358063.41	283666.34	255686.52	245006.12	296214.97	234878.92
Fumarate	5466648	12300443	12967037	6378663.5	12645368	115167.13	115248.4	214981.08	297719.84	6195821.5	3246315.25	2441518	2447697.25	2086989.38	4390945.5	1683302.62	2836062.75	1925170	2841338
Fumarate 13C1	15671.658	0	0	18778.586	0	0	2902.1704	0	0	0	0	7460.978	19637.841	18486.51728	0	0	0	0	0
Fumarate 13C2	13194.95947	0	0	1659.137464	0	0	0	0	0	0	9107.383676	10370.38115	5081.418124	15400.17856	0	0	0	0	0
Malate	5757498.5	8902595	11243643	4237363.5	6673000	1550770.12	1853419.5	1775661.62	2620554.75	3326103.25	2513006.25	2461847.25	2073137.12	2293846	2180637.75	1807180.38	2408826.75	2138661.25	1946797.62
Malate 13C1	391501.876	428800.57	18610.958	0	105230.91	0	0	0	0	111934.597	183619.415	158921.381	181462.4067	125198.726	7927.729	50036.71328	32545.203	32946.065	41730.88472
Malate 13C2	350151.2329	300358.9161	102204.5172	13714.02426	200066.492	14424.07905	12186.26985	16741.2591	19645.876	132510.9341	323154.4099	216571.0637	335199.0265	253271.0041	31499.61532	28619.12878	35095.15141	44337.44182	53557.52981
Malate 13C4	118819.15	169336.25	1134.68	11139.31	92472.07	830.77	946.06	0	0	282850.03	475762.5	349379.78	457072.25	448343.72	7788.37	15274.14	34533.22	15201.04	17352.58
Itaconate	1667004.38	2018256.5	1946360.88	1295182.88	6721433.5	92721.88	109851.66	130647.31	168488.39	344910.66	269142.72	263462.5	191939.31	199644.05	494527.16	230638.58	178002.31	167447.23	224432.86
Itaconate 13C1	69944.8491	80695.3425	0	0	197474.7175	0	0	0	0	0	0	9321.6425	11692.48795	0	0	0	0	0	0
Itaconate 13C2	97759.71175	51017.45409	6840.388338	14111.61179	155034.4337	2781.956313	1602.538729	1271.061887	903.6726203	488.6552535	3974.713272	11758.53594	4595.003587	2470.626749	3127.035341	2226.788296	3627.353012	4704.252129	4046.790599
Glutathione	10736893	9334501	10892585	10633553	6819784.5	3426732.75	2624270	1056896.5	6303504.5	13526681	10558747	10463117	8282046	8688515	19472130	17233598	16435035	18519262	17120112
Glutathione 13C1	65506.77	0	59662.77	0	50188.645	0	11733.96	8089.925	0	0	0	50100.88	0	0	82188.95	0	0	0	0
Glutathione 13C2	358737.6847	181824.5379	0	0	142648.1676	690.523725	0	0	0	0	160196.9113	186585.1943	145984.3634	123522.6085	0	0	0	0	0
Glutathione 13C3	309994.84	110632.88	0	0	34382.04	0	0	0	0	37926.27	133408.64	137495.73	72133.92	52020.8	15106.34	25893.14	23158.97	20201.69	15597.71
Glutathione 13C4	29094.42	10896.04	0	0	0	0	0	0	0	12434.61	33490.83	30765.54	42114.44	9637.58	14890.55	46340.45	3852.81	20983.97	4624.17
Glutathione 13C5	136820.45	0	0	0	0	0	0	0	0	44864.59	134755.11	133256.56	134830.92	82265.35	0	0	11778.89	0	3490.03
Glutathione 13C7	0	0	0	0	0	7002.4	0	0	0	6086.47	47995.45	33864.5	47990.97	45416.33	4686.19	5794.91	4127.29	5135.13	2695.04
Glutathione 13C10	0	19660.25	14221.15	12904.36	27478.48	0	0	0	0	9200.89	43186.11	6198.84	7618.67	11639.09	5118.15	9690.62	3346.78	0	0
Glutathione disulfide	29565.29	107213.85	112784.65	32308.99	0	46443.62	52467.28	177599.81	165055.03	33563.25	37516.15	16128.4	21234.74	46040.85	22013.52	13232.04	8367.81	15806.85	17898.92
Glutathione disulfide 13C1	29565.29	102888.595	109655.997	29470.0308	0	46443.62	52467.28	177599.81	165055.03	31539.0542	28015.2058	14764.6552	19558.6326	43480.2502	20887.527	11100.1036	7631.5184	15806.85	17898.92
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID	mz	rt
ADP	C00008	426.022095	0.564
AMP	C00020	346.055939	0.622
Adenine	C00147	134.047318	0.679
Adenine 13C1	C00147	135.05069	0.681
Citrate	C00158	191.019608	0.543
Citrate 13C1	C00158	192.023117	0.542
Citrate 13C2	C00158	193.025818	0.545
Citrate 13C3	C00158	194.029663	0.565
Citrate 13C4	C00158	195.032059	0.55
2-Oxoglutarate	C00026	145.014191	0.619
Succinate	C00042	117.019409	0.556
Fumarate	C00122	115.003784	0.566
Fumarate 13C1	C00122	116.006981	0.568
Fumarate 13C2	C00122	117.009911	0.562
Malate	C00149	133.014191	0.547
Malate 13C1	C00149	134.017593	0.554
Malate 13C2	C00149	135.018997	0.558
Malate 13C4	C00149	137.028915	0.53
Itaconate	C00490	129.019424	0.602
Itaconate 13C1	C00490	130.02269	0.589
Itaconate 13C2	C00490	131.023956	0.615
Glutathione	C00051	306.076477	0.591
Glutathione 13C1	C00051	307.07782	0.591
Glutathione 13C2	C00051	308.082001	0.593
Glutathione 13C3	C00051	309.085541	0.594
Glutathione 13C4	C00051	310.087769	0.608
Glutathione 13C5	C00051	311.093353	0.593
Glutathione 13C7	C00051	313.098846	0.634
Glutathione 13C10	C00051	316.114136	0.627
Glutathione disulfide	C00127	611.144592	0.531
Glutathione disulfide 13C1	C00127	612.148071	0.537
METABOLITES_END
#END