#METABOLOMICS WORKBENCH japizsaab_20220805_083805 DATATRACK_ID:3388 STUDY_ID:ST002526 ANALYSIS_ID:AN004160 PROJECT_ID:PR001627
VERSION             	1
CREATED_ON             	March 28, 2023, 10:00 am
#PROJECT
PR:PROJECT_TITLE                 	Pancreatic tumors activate arginine biosynthesis to adapt to myeloid-driven
PR:PROJECT_TITLE                 	amino acid stress
PR:PROJECT_SUMMARY               	Nutrient stress in the tumor microenvironment requires cancer cells to adopt
PR:PROJECT_SUMMARY               	adaptive metabolic programs to maintain survival and proliferation. Therefore,
PR:PROJECT_SUMMARY               	knowledge of microenvironmental nutrient levels and how cancer cells cope with
PR:PROJECT_SUMMARY               	such nutrition is critical to understand the metabolism underpinning cancer cell
PR:PROJECT_SUMMARY               	biology. Previously, we performed quantitative metabolomics of the interstitial
PR:PROJECT_SUMMARY               	fluid (the local perfusate) of murine pancreatic ductal adenocarcinoma (PDAC)
PR:PROJECT_SUMMARY               	tumors to comprehensively characterize nutrient availability in the
PR:PROJECT_SUMMARY               	microenvironment of these tumors (Sullivan et al., 2019a). Here, we develop
PR:PROJECT_SUMMARY               	Tumor Interstitial Fluid Medium (TIFM), a cell culture medium that contains
PR:PROJECT_SUMMARY               	nutrient levels representative of the PDAC microenvironment, enabling study of
PR:PROJECT_SUMMARY               	PDAC metabolism under physiological nutrition. We show that PDAC cells cultured
PR:PROJECT_SUMMARY               	in TIFM, compared to standard laboratory models, adopt a cellular state more
PR:PROJECT_SUMMARY               	similar to PDAC cells in tumors. Further, using the TIFM model we identified
PR:PROJECT_SUMMARY               	arginine biosynthesis as a metabolic adaptation PDAC cells engage to cope with
PR:PROJECT_SUMMARY               	microenvironmental arginine starvation driven by myeloid cells in PDAC tumors.
PR:PROJECT_SUMMARY               	Altogether, these data show that nutrient availability in tumors is an important
PR:PROJECT_SUMMARY               	determinant of cancer cell metabolism and behavior, and cell culture models that
PR:PROJECT_SUMMARY               	incorporate physiological nutrient availability have improved fidelity and
PR:PROJECT_SUMMARY               	enable the discovery of novel cancer metabolic phenotypes.
PR:INSTITUTE                     	University of Chicago
PR:LAST_NAME                     	Apiz Saab
PR:FIRST_NAME                    	Juan
PR:ADDRESS                       	929 E. 57th St.
PR:EMAIL                         	japizsaab@uchicago.edu
PR:PHONE                         	7738346506
#STUDY
ST:STUDY_TITLE                   	Stable isotope tracing of 15N2-glutamine in orthotopic pancreatic ductal
ST:STUDY_TITLE                   	adenocarcinoma tumor bearing mice and non tumor-bearing controls
ST:STUDY_SUMMARY                 	Stable isotope tracing by bolus intravenous injections of 15N2-glutamine in
ST:STUDY_SUMMARY                 	orthotopic PDAC tumor bearing mice and non tumor-bearing controls followed by
ST:STUDY_SUMMARY                 	plasma sampling and tumor extraction for analysis of intratumoral metabolite
ST:STUDY_SUMMARY                 	labeling during the period of kinetic labeling
ST:INSTITUTE                     	University of Chicago
ST:LAST_NAME                     	Apiz Saab
ST:FIRST_NAME                    	Juan
ST:ADDRESS                       	929 E. 57th St.
ST:EMAIL                         	japizsaab@uchicago.edu
ST:PHONE                         	7738346506
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#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           	-	Tissue 1	Sample type:Healthy_Mouse_Pancreas_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_01_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 2	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_02_PDAC-Tumor.raw.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 3	Sample type:Healthy_Mouse_Pancreas_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_03_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 4	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_04_PDAC-Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 5	Sample type:Healthy_Mouse_Pancreas_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_05_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 6	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_06_PDAC-Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 7	Sample type:Healthy_Mouse_Pancreas_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_07_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 8	Sample type:Healthy_Mouse_Pancreas_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_08_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 9	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_09_PDAC-Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 10	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_10_PDAC-Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 11	Sample type:Healthy_Mouse_Pancreas_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_11_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 12	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_12_PDAC-Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 13	Sample type:Healthy_Mouse_Pancreas_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_13_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Tissue 14	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	RAW_FILE_NAME=20211113_QE1_JAS_Job2416_Tissue_14_PDAC-Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 1	Sample type:Healthy_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_15_Plasma-01_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 2	Sample type:Tumor_Bearing_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_16_Plasma-02_PDAC Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 3	Sample type:Healthy_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_17_Plasma-03_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 4	Sample type:Tumor_Bearing_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_18_Plasma-04_PDAC Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 5	Sample type:Healthy_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_19_Plasma-05_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 6	Sample type:Tumor_Bearing_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_20_Plasma-06_PDAC Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 7	Sample type:Healthy_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_21_Plasma-07_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 8	Sample type:Healthy_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_22_Plasma-08_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 9	Sample type:Tumor_Bearing_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_23_Plasma-09_PDAC Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 10	Sample type:Tumor_Bearing_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_24_Plasma-10_PDAC Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 11	Sample type:Healthy_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_25_Plasma-11_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 12	Sample type:Tumor_Bearing_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_26_Plasma-12_PDAC Tumor.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 13	Sample type:Healthy_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_27_Plasma-13_Pancreas.raw
SUBJECT_SAMPLE_FACTORS           	-	Plasma 14	Sample type:Tumor_Bearing_Mouse_Plasma	RAW_FILE_NAME=20211105_QE2_JAS_Job2416_28_Plasma-14_PDAC Tumor.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	~100uL of blood were be obtained by submandibular sampling as described
CO:COLLECTION_SUMMARY            	previously (Parasuraman et al., 2010) and centrifuged at 845 x g for 10 minutes
CO:COLLECTION_SUMMARY            	at 4°C to separate plasma. Plasma was frozen in liquid nitrogen and stored at
CO:COLLECTION_SUMMARY            	-80°C until further analysis animals. Mice were then immediately euthanized and
CO:COLLECTION_SUMMARY            	tumor or pancreas from each animal was then harvested and immediately snap
CO:COLLECTION_SUMMARY            	frozen using a BioSqueezer (BioSpec) cooled with liquid nitrogen and stored at
CO:COLLECTION_SUMMARY            	-80°F until further analysis.
CO:SAMPLE_TYPE                   	Tumor, Pancreas & Plasma
#TREATMENT
TR:TREATMENT_SUMMARY             	Orthotopic tumors were implanted in C57BL6J mice at 8-12 weeks of age. 4 weeks
TR:TREATMENT_SUMMARY             	after induction tumor-bearing mice and healthy littermate controls were treated
TR:TREATMENT_SUMMARY             	with 15N2-glutamine (Cambridge Isotope Laboratory #NLM-1328-PK) dissolved in
TR:TREATMENT_SUMMARY             	sterile phosphate buffered saline at 7.2mg/animal by tail vein injection as
TR:TREATMENT_SUMMARY             	previously described (Lane et al., 2015). Briefly, animals were dosed three
TR:TREATMENT_SUMMARY             	times at 15-minute intervals.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Cryogenically frozen tumor pieces were ground to a fine homogenous powder with a
SP:SAMPLEPREP_SUMMARY            	liquid nitrogen cooled mortar and pestle. ~30mg of tissue powder was weighed
SP:SAMPLEPREP_SUMMARY            	into sample tubes, and metabolites were extracted with 600µL HPLC grade
SP:SAMPLEPREP_SUMMARY            	methanol, 300µL HPLC grade water, and 400µL chloroform. Samples were vortexed
SP:SAMPLEPREP_SUMMARY            	for 10min at 4°C, centrifuged 21,000xg at 4°C for 10 min. 400µL of the
SP:SAMPLEPREP_SUMMARY            	aqueous top layer was removed into a new tube and dried under nitrogen. Dried
SP:SAMPLEPREP_SUMMARY            	tumor extracts were resuspended in 100µL HPLC grade water and LC-MS analysis
SP:SAMPLEPREP_SUMMARY            	was performed as described before(Sullivan et al., 2019b, 2019a). For plasma
SP:SAMPLEPREP_SUMMARY            	samples, we extracted polar metabolites from 5µL of sample using 45µL of a
SP:SAMPLEPREP_SUMMARY            	75:25:0.1 HPLC grade acetonitrile:methanol:formic acid extraction mix. Samples
SP:SAMPLEPREP_SUMMARY            	in extraction mix were vortexed for 10 min at 4°C and centrifugated at 15,000x
SP:SAMPLEPREP_SUMMARY            	rpm for 10 min at 4°C to pellet insoluble material. 20µL of the soluble polar
SP:SAMPLEPREP_SUMMARY            	metabolite supernatant was moved to sample vials for analysis by LC-MS.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	SeQuant ZIC-HILIC (100 x 2.1mm, 3.5um)
CH:SOLVENT_A                     	20 mM ammonium carbonate, 0.1% ammonium hydroxide
CH:SOLVENT_B                     	acetonitrile
CH:FLOW_GRADIENT                 	linear gradient from 80% to 20% B; 20–20.5 min: linear gradient from 20% to
CH:FLOW_GRADIENT                 	80% B; 20.5–28 min: hold at 80% B
CH:FLOW_RATE                     	0.150 mL/min
CH:COLUMN_TEMPERATURE            	25
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	XCalibur 965 2.2 software (Thermo 966 Fisher Scientific) was used identification
MS:MS_COMMENTS                   	and relative quantification for metabolites. Natural abundance correction was
MS:MS_COMMENTS                   	performed using the IsoCor (Millard et al., 2019).
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Fractional labelling 
MS_METABOLITE_DATA_START
Samples	Plasma 1	Plasma 3	Plasma 5	Plasma 7	Plasma 8	Plasma 11	Plasma 13	Plasma 2	Plasma 4	Plasma 6	Plasma 9	Plasma 10	Plasma 12	Plasma 14	Tissue 1	Tissue 3	Tissue 5	Tissue 7	Tissue 8	Tissue 11	Tissue 13	Tissue 2	Tissue 4	Tissue 6	Tissue 9	Tissue 10	Tissue 12	Tissue 14
Factors	Sample type:Healthy_Mouse_Plasma	Sample type:Healthy_Mouse_Plasma	Sample type:Healthy_Mouse_Plasma	Sample type:Healthy_Mouse_Plasma	Sample type:Healthy_Mouse_Plasma	Sample type:Healthy_Mouse_Plasma	Sample type:Healthy_Mouse_Plasma	Sample type:Tumor_Bearing_Mouse_Plasma	Sample type:Tumor_Bearing_Mouse_Plasma	Sample type:Tumor_Bearing_Mouse_Plasma	Sample type:Tumor_Bearing_Mouse_Plasma	Sample type:Tumor_Bearing_Mouse_Plasma	Sample type:Tumor_Bearing_Mouse_Plasma	Sample type:Tumor_Bearing_Mouse_Plasma	Sample type:Healthy_Mouse_Pancreas_Tissue	Sample type:Healthy_Mouse_Pancreas_Tissue	Sample type:Healthy_Mouse_Pancreas_Tissue	Sample type:Healthy_Mouse_Pancreas_Tissue	Sample type:Healthy_Mouse_Pancreas_Tissue	Sample type:Healthy_Mouse_Pancreas_Tissue	Sample type:Healthy_Mouse_Pancreas_Tissue	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue	Sample type:Tumor_Bearing_Mouse_Tumor_Tissue
M+0 Arginine	0.789967849	0.759514144	0.754847488	0.780332898	0.767656111	0.8031745	0.768640947	0.73812794	0.772541033	0.777178846	0.778667869	0.787473232	0.780095552	0.798969929	0.799444678	0.636254645	0.803379777	0.673511201	0.835144716	0.821035909	0.68589067	0.564968299	0.79738914	0.588690522	0.804261216	0.600258051	0.811388044	0.66625468
M+1 Arginine	0.11951694	0.140191212	0.136809675	0.118930742	0.11994946	0.124884204	0.141773449	0.135041515	0.131765882	0.126744492	0.119985569	0.119011855	0.122444301	0.131807945	0.124589148	0.201500859	0.125200409	0.173625874	0.109195741	0.120601839	0.203566763	0.219537957	0.12797592	0.220748641	0.125797001	0.219712695	0.122423622	0.214692055
M+2 Arginine	0.048100708	0.054878614	0.058375686	0.05342794	0.064838002	0.043882335	0.054232602	0.067404952	0.054262069	0.054649484	0.052252924	0.053496321	0.053630222	0.039998725	0.047945066	0.102750548	0.045705661	0.093744392	0.03564315	0.039379339	0.079790331	0.133175184	0.048427486	0.120761801	0.044937291	0.120323996	0.040446242	0.085823298
M+3 Arginine	0.033635296	0.035537227	0.041119539	0.037470461	0.036478175	0.023157838	0.028890145	0.041840923	0.034181522	0.033849501	0.03889497	0.030378922	0.035441619	0.022664198	0.022314946	0.046984766	0.020577175	0.045309257	0.01458863	0.015459835	0.025400228	0.064401222	0.021165912	0.056383472	0.019894621	0.048604014	0.019622375	0.027037486
M+4 Arginine	0.008779207	0.009878804	0.008847612	0.009837958	0.011078252	0.004901123	0.006462857	0.017584671	0.007249493	0.007577677	0.010198668	0.009639671	0.008388307	0.006559204	0.005706162	0.012509182	0.005136978	0.013809275	0.005427763	0.003523077	0.005352008	0.017917339	0.005041541	0.013415564	0.005109871	0.011101244	0.006119717	0.006192481
M+0 Citrulline	0.37941889	0.429350099	0.375515469	0.418116073	0.388021173	0.438334284	0.527492967	0.401538349	0.407074619	0.425333001	0.373227092	0.414955356	0.422508196	0.532412527	0.640300904	0.49594539	0.718289545	0.456749015	0.781367876	0.659346753	0.640868795	0.419775172	0.623899336	0.452226748	0.674994433	0.44089311	0.682754438	0.628977288
M+1 Citrulline	0.342815565	0.323194312	0.344130166	0.321963598	0.337582075	0.348582583	0.314334082	0.328540606	0.349239237	0.326914036	0.353683923	0.35298487	0.329176194	0.314784308	0.215417518	0.270403807	0.181453246	0.277997371	0.153773841	0.220342215	0.249275195	0.304200904	0.230162479	0.299485153	0.201046442	0.328353559	0.19364112	0.263242319
M+2 Citrulline	0.208378656	0.186468393	0.210339241	0.192301206	0.205307956	0.170389597	0.128362074	0.203542692	0.188175561	0.189191568	0.207662768	0.184360194	0.187520914	0.126060707	0.109199884	0.166747061	0.0797481	0.185354868	0.05144813	0.10204325	0.089848918	0.199505439	0.122435171	0.177743143	0.09400688	0.180594181	0.096943079	0.092627675
M+3 Citrulline	0.06938689	0.060987196	0.070015123	0.067619123	0.069088797	0.042693536	0.029810877	0.066378352	0.055510583	0.058561395	0.065426218	0.04769958	0.060794696	0.026742458	0.035081694	0.066903742	0.020509109	0.079898745	0.013410154	0.018267782	0.020007091	0.076518485	0.023503013	0.070544956	0.029952245	0.050159151	0.026661363	0.015152718
M+0 Glutamine	0.308184681	0.301925913	0.282815347	0.30941817	0.31651427	0.355424553	0.397315697	0.270679429	0.336774245	0.313074149	0.312081111	0.335007771	0.322040484	0.395499898	0.353570085	0.324758044	0.358195344	0.358639284	0.43572223	0.370840266	0.427133614	0.268598187	0.356779562	0.331527326	0.336508915	0.344536496	0.386610208	0.50024661
M+1 Glutamine	0.358930559	0.308622332	0.346059096	0.315479022	0.349389481	0.368419013	0.328990713	0.311507479	0.33738744	0.315295417	0.374693843	0.331670974	0.358063257	0.34261402	0.240775502	0.277591221	0.218929029	0.272520668	0.210448065	0.268704245	0.277262156	0.267972479	0.237479445	0.281870078	0.257737126	0.322185521	0.215477985	0.293946367
M+2 Glutamine	0.33288476	0.389451755	0.371125558	0.375102808	0.334096249	0.276156434	0.27369359	0.417813092	0.325838315	0.371630435	0.313225046	0.333321256	0.319896259	0.261886082	0.405654413	0.397650735	0.422875627	0.368840048	0.353829705	0.360455489	0.295604231	0.463429334	0.405740993	0.386602597	0.405753959	0.333277983	0.397911807	0.205807023
M+0 Ornithine	0	0.498795491	0.589386087	0	0	0.200538232	0	0.485728265	0.436332107	0.682343591	0	0.72953526	0.436000816	0.568384231	0.863108358	0.845085516	0.879467915	0.849854594	0.89353327	0.886374642	0.857813143	0.80090085	0.857365429	0.811876751	0.864706314	0.8220455	0.885656357	0.879170879
M+1 Ornithine	0.683033885	0	0.186128806	0	0.595465756	0.413747945	0.439693493	0.336963561	0	0.152286005	0	0.182999474	0	0.199713054	0.111348223	0.12243805	0.097647932	0.109714963	0.089164543	0.093095531	0.119119742	0.151357822	0.118195952	0.143452463	0.106719147	0.145206853	0.098279898	0.10035372
M+2 Ornithine	0.316966115	0.501204509	0.224485106	1	0.404534244	0.385713823	0.560306507	0.177308174	0.563667893	0.165370404	1	0.087465266	0.563999184	0.231902715	0.02554342	0.032476434	0.022884153	0.040430442	0.017302187	0.020529827	0.023067115	0.047741328	0.024438618	0.044670786	0.028574539	0.032747647	0.016063745	0.020475401
M+0 Argininosuccinate	0.8447084	0.597019511	1	0.000108773	0.498349491	1	0.745087368	0.255853357	0.581960719	6.26E-05	1	1	1	1	0.617566482	0.580056841	0.758140199	0.595833235	0.777932439	0.703474075	0.626119207	0.513281312	0.59056517	0.613944514	0.634147671	0.568108768	0.661006146	0.64806611
M+1 Argininosuccinate	0	0.025830881	0	0	0.001027758	0	0.254912632	0.167002459	0.278877101	0	0	0	0	0	0.120982113	0.152220993	0.034653389	0.143791131	0.032434948	0.066207397	0.138440841	0.176096092	0.118527808	0.126352829	0.100606433	0.157465488	0.04003412	0.12499852
M+2 Argininosuccinate	0.00019623	0.09109116	0	0.001263487	0.0554409	0	0	0	0.139162179	0.001263088	0	0	0	0	0.174812802	0.198591482	0.11303579	0.192777554	0.113065931	0.135132429	0.191248767	0.21270242	0.169751954	0.179202288	0.158462521	0.201981121	0.107465255	0.181635602
M+3 Argininosuccinate	0.155095369	0.286058448	0	0.998627739	0.445181851	0	0	0.577144184	0	0.99867428	0	0	0	0	0.086638603	0.069130683	0.094170623	0.06759808	0.072360297	0.086340377	0.044191185	0.097920176	0.121155067	0.080500369	0.106783375	0.072444623	0.19149448	0.045299768
M+4 Argininosuccinate	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0.004206385	0.008845722	0	0	0	0	0	0	0	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
M+0 Arginine
M+1 Arginine
M+2 Arginine
M+3 Arginine
M+4 Arginine
M+0 Citrulline
M+1 Citrulline
M+2 Citrulline
M+3 Citrulline
M+0 Glutamine
M+1 Glutamine
M+2 Glutamine
M+0 Ornithine
M+1 Ornithine
M+2 Ornithine
M+0 Argininosuccinate
M+1 Argininosuccinate
M+2 Argininosuccinate
M+3 Argininosuccinate
M+4 Argininosuccinate
METABOLITES_END
#END