#METABOLOMICS WORKBENCH hormel101_20170623_124631 DATATRACK_ID:1091 STUDY_ID:ST000642 ANALYSIS_ID:AN000974 PROJECT_ID:PR000459
VERSION             	1
CREATED_ON             	June 25, 2017, 5:03 pm
#PROJECT
PR:PROJECT_TITLE                 	Role of the Serine Biosynthesis Pathway in Supporting the Warburg Effect of
PR:PROJECT_TITLE                 	Pancreatic Cancer Cells
PR:PROJECT_SUMMARY               	Pancreatic cancer cells metabolize glucose differently than normal adult cells,
PR:PROJECT_SUMMARY               	relying on aerobic glycolysis even in oxygen-rich environments. This phenomenon,
PR:PROJECT_SUMMARY               	known as the Warburg effect, is the basis of PET scans for tumor imaging and
PR:PROJECT_SUMMARY               	diagnosis, but a definitive explanation for how this benefits cancer cells has
PR:PROJECT_SUMMARY               	remained elusive, and altered cell metabolism has not been fully exploited for
PR:PROJECT_SUMMARY               	therapeutic benefit. The Warburg effect is accompanied by expression of the M2
PR:PROJECT_SUMMARY               	isoform of pyruvate kinase (PK); while many differentiated normal cells express
PR:PROJECT_SUMMARY               	PKM1, proliferating cells, including all cancer cells, express PKM1. We have
PR:PROJECT_SUMMARY               	generated both normal cell lines and pancreatic cancer cell lines that can be
PR:PROJECT_SUMMARY               	genetically controlled to express either PKM1 or PKM2. While normal
PR:PROJECT_SUMMARY               	proliferating cells stop proliferating when forced to express PKM1 rather than
PR:PROJECT_SUMMARY               	PKM2, pancreatic cancer cells proliferate just as rapidly with forced PKM1
PR:PROJECT_SUMMARY               	expression. Preliminary data shows that pancreatic cancer cells upregulate the
PR:PROJECT_SUMMARY               	serine biosynthesis pathway during forced PKM1 expression. To probe the role of
PR:PROJECT_SUMMARY               	the serine biosynthesis pathway in supporting cancer proliferation in the
PR:PROJECT_SUMMARY               	context of isoform-specific PK expression, we have targeted genes in the serine
PR:PROJECT_SUMMARY               	biosynthesis pathway using the CRISPR/Cas9 system and generated pancreatic
PR:PROJECT_SUMMARY               	cancer knockout cell lines. The proposed research will use isotope-labeled
PR:PROJECT_SUMMARY               	precursors and genetic engineering to identify the metabolic dependencies of
PR:PROJECT_SUMMARY               	pancreatic cancer cells. Genetically engineered pancreatic cancer cell lines
PR:PROJECT_SUMMARY               	cultured with 13C-glucose, 13C-glutamine, or 13C-serine will be extracted and
PR:PROJECT_SUMMARY               	sent to the Mayo Clinic Metabolomics Resource Core for isotopic enrichment
PR:PROJECT_SUMMARY               	analysis of various amino acids, TCA cycle metabolites, fatty acids, and
PR:PROJECT_SUMMARY               	sphingolipids. This work will provide crucial first insight for altered
PR:PROJECT_SUMMARY               	metabolism of pancreatic cancer cells that can lead to novel metabolic targets
PR:PROJECT_SUMMARY               	for effectively treating pancreatic cancer.
PR:INSTITUTE                     	Mayo Clinic
PR:LAST_NAME                     	Lunt
PR:FIRST_NAME                    	Sophia
PR:ADDRESS                       	Michigan State University 410B Biochemistry Building 603 Wilson Road East
PR:ADDRESS                       	Lansing, MI 48824
PR:EMAIL                         	sophia@msu.edu
PR:PHONE                         	517-432-4886
#STUDY
ST:STUDY_TITLE                   	Trace 13C-glucose, 13C-glutamine, and 13C-serine in genetically engineered
ST:STUDY_TITLE                   	pancreatic cell lines through free fatty acids (part I)
ST:STUDY_SUMMARY                 	Trace 13C-glucose, 13C-glutamine, and 13C-serine in genetically engineered
ST:STUDY_SUMMARY                 	pancreatic cell lines through free fatty acids
ST:INSTITUTE                     	Mayo Clinic
ST:LAST_NAME                     	Lunt
ST:FIRST_NAME                    	Sophia
ST:ADDRESS                       	Michigan State University 410B Biochemistry Building 603 Wilson Road East
ST:ADDRESS                       	Lansing, MI 48824
ST:EMAIL                         	sophia@msu.edu
ST:PHONE                         	517-432-4886
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	ms5770-1	experiment:20_PSPH B7 + Dox (PKM1)_0 hr_No label | tracer:No Label | time:-	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-2	experiment:21_PSPH B7 + Dox (PKM1)_0 hr_No label | tracer:No Label | time:-	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-3	experiment:22_PSPH B7 + Dox (PKM1)_0 hr_No label | tracer:No Label | time:-	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-4	experiment:23_PSPH B7 - Dox (PKM2)_0 hr_No label | tracer:No Label | time:-	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-5	experiment:24_PSPH B7 - Dox (PKM2)_0 hr_No label | tracer:No Label | time:-	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-6	experiment:25_PSPH B7 - Dox (PKM2)_0 hr_No label | tracer:No Label | time:-	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-7	experiment:26_PSPH B7 + Dox (PKM1)_24 hr_13C-glucose | tracer:13C-glucose | time:24	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-8	experiment:27_PSPH B7 + Dox (PKM1)_24 hr_13C-glucose | tracer:13C-glucose | time:24	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-9	experiment:28_PSPH B7 + Dox (PKM1)_24 hr_13C-glucose | tracer:13C-glucose | time:24	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-10	experiment:29_PSPH B7 - Dox (PKM2)_24 hr_13C-glucose | tracer:13C-glucose | time:24	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-11	experiment:30_PSPH B7 - Dox (PKM2)_24 hr_13C-glucose | tracer:13C-glucose | time:24	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-12	experiment:31_PSPH B7 - Dox (PKM2)_24 hr_13C-glucose | tracer:13C-glucose | time:24	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-13	experiment:32_PSPH B7 + Dox (PKM1)_48 hr_13C-glucose | tracer:13C-glucose | time:48	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-14	experiment:33_PSPH B7 + Dox (PKM1)_48 hr_13C-glucose | tracer:13C-glucose | time:48	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-15	experiment:34_PSPH B7 + Dox (PKM1)_48 hr_13C-glucose | tracer:13C-glucose | time:48	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-16	experiment:35_PSPH B7 - Dox (PKM2)_48 hr_13C-glucose | tracer:13C-glucose | time:48	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-17	experiment:36_PSPH B7 - Dox (PKM2)_48 hr_13C-glucose | tracer:13C-glucose | time:48	groupID=PSPH
SUBJECT_SAMPLE_FACTORS           	-	ms5770-18	experiment:37_PSPH B7 - Dox (PKM2)_48 hr_13C-glucose | tracer:13C-glucose | time:48	groupID=PSPH
#COLLECTION
CO:COLLECTION_SUMMARY            	Pancreatic ductal adenocarcinoma cell line with PSPH KO. These cells have been
CO:COLLECTION_SUMMARY            	incubated with no label, or 13C-glucose label for 24hours or 48 hours.
#TREATMENT
TR:TREATMENT_SUMMARY             	Pancreatic cancer cells exhibit altered metabolism, which is mediated in part by
TR:TREATMENT_SUMMARY             	expressing the proliferation-supportive M2 isoform of pyruvate kinase (PK).
TR:TREATMENT_SUMMARY             	Unlike normal embryonic cells that stop proliferating when forced to express the
TR:TREATMENT_SUMMARY             	proliferation-incompatible M1 isoform of PK, pancreatic cancer cells can
TR:TREATMENT_SUMMARY             	proliferate just as rapidly with either the M1 or M2 isoform. During forced PKM1
TR:TREATMENT_SUMMARY             	expression, pancreatic cancer cells upregulate their serine biosynthesis
TR:TREATMENT_SUMMARY             	pathway. The three enzymes in the serine biosynthesis pathway include
TR:TREATMENT_SUMMARY             	phosphoglycerate dehydrogenase (PHGDH), phosphoserine aminotransferase (PSAT),
TR:TREATMENT_SUMMARY             	and phosphoserine phosphatase (PSPH). Each of the genes encoding the three
TR:TREATMENT_SUMMARY             	enzymes in the serine biosynthesis pathway have successfully been knocked out
TR:TREATMENT_SUMMARY             	from pancreatic cancer cells using the CRISPR/Cas9 system in our laboratory,
TR:TREATMENT_SUMMARY             	with multiple confirmed clones for each knockout ready for metabolic
TR:TREATMENT_SUMMARY             	characterization.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	In this proposal, we will interrogate the metabolic pathways that support
SP:SAMPLEPREP_SUMMARY            	pancreatic cancer proliferation by performing isotope enrichment analysis on the
SP:SAMPLEPREP_SUMMARY            	CRISPR/Cas9 knockout pancreatic cancer cell lines. Each cell line expressing
SP:SAMPLEPREP_SUMMARY            	PKM1 or PKM2 will be seeded on 6-well plates so that they are ~70% confluent at
SP:SAMPLEPREP_SUMMARY            	the time of labeled media addition. Unlabeled media will be aspirated, and cell
SP:SAMPLEPREP_SUMMARY            	will be washed with PBS. Media labeled with 13C-glucose, 13C-glutamine, or
SP:SAMPLEPREP_SUMMARY            	13C-serine labeled media will be added, and cells will be incubated for 1 hour
SP:SAMPLEPREP_SUMMARY            	or 24 hours. Polar metabolites and fatty acids will be extracted at the end of
SP:SAMPLEPREP_SUMMARY            	the incubation period using methanol, water, and chloroform. The methanol/water
SP:SAMPLEPREP_SUMMARY            	fraction containing polar metabolites will be separated from the chloroform
SP:SAMPLEPREP_SUMMARY            	fraction containing fatty acids, and each fraction will be dried down under
SP:SAMPLEPREP_SUMMARY            	nitrogen. Dried down samples will be sent to the Mayo Clinic Metabolomics
SP:SAMPLEPREP_SUMMARY            	Resource Core for analysis of TCA cycle intermediates, amino metabolites, free
SP:SAMPLEPREP_SUMMARY            	fatty acids, and sphingolipids. TCA cycle intermediates and amino metabolites
SP:SAMPLEPREP_SUMMARY            	(polar metabolites) should become labeled faster than fatty acids and
SP:SAMPLEPREP_SUMMARY            	sphingolipids; therefore, polar metabolites are proposed to be analyzed at 1
SP:SAMPLEPREP_SUMMARY            	hour and 24 hours after 13C-label addition. Fatty acids are proposed to be
SP:SAMPLEPREP_SUMMARY            	analyzed for the 24 hr time point only, due to slow labeling. Statistical
SP:SAMPLEPREP_SUMMARY            	analysis will be performed by the Mayo Clinic Metabolomics Resource Core.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity BEH C18 (150 x 2.1mm, 1.7um)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Thermo Quantum Ultra
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	% enrichment: MPE
MS_METABOLITE_DATA_START
Samples	ms5770-1	ms5770-2	ms5770-3	ms5770-4	ms5770-5	ms5770-6	ms5770-7	ms5770-8	ms5770-9	ms5770-10	ms5770-11	ms5770-12	ms5770-13	ms5770-14	ms5770-15	ms5770-16	ms5770-17	ms5770-18
Factors	experiment:20_PSPH B7 + Dox (PKM1)_0 hr_No label | tracer:No Label | time:-	experiment:21_PSPH B7 + Dox (PKM1)_0 hr_No label | tracer:No Label | time:-	experiment:22_PSPH B7 + Dox (PKM1)_0 hr_No label | tracer:No Label | time:-	experiment:23_PSPH B7 - Dox (PKM2)_0 hr_No label | tracer:No Label | time:-	experiment:24_PSPH B7 - Dox (PKM2)_0 hr_No label | tracer:No Label | time:-	experiment:25_PSPH B7 - Dox (PKM2)_0 hr_No label | tracer:No Label | time:-	experiment:26_PSPH B7 + Dox (PKM1)_24 hr_13C-glucose | tracer:13C-glucose | time:24	experiment:27_PSPH B7 + Dox (PKM1)_24 hr_13C-glucose | tracer:13C-glucose | time:24	experiment:28_PSPH B7 + Dox (PKM1)_24 hr_13C-glucose | tracer:13C-glucose | time:24	experiment:29_PSPH B7 - Dox (PKM2)_24 hr_13C-glucose | tracer:13C-glucose | time:24	experiment:30_PSPH B7 - Dox (PKM2)_24 hr_13C-glucose | tracer:13C-glucose | time:24	experiment:31_PSPH B7 - Dox (PKM2)_24 hr_13C-glucose | tracer:13C-glucose | time:24	experiment:32_PSPH B7 + Dox (PKM1)_48 hr_13C-glucose | tracer:13C-glucose | time:48	experiment:33_PSPH B7 + Dox (PKM1)_48 hr_13C-glucose | tracer:13C-glucose | time:48	experiment:34_PSPH B7 + Dox (PKM1)_48 hr_13C-glucose | tracer:13C-glucose | time:48	experiment:35_PSPH B7 - Dox (PKM2)_48 hr_13C-glucose | tracer:13C-glucose | time:48	experiment:36_PSPH B7 - Dox (PKM2)_48 hr_13C-glucose | tracer:13C-glucose | time:48	experiment:37_PSPH B7 - Dox (PKM2)_48 hr_13C-glucose | tracer:13C-glucose | time:48
13C-myristate m0						100	33.45803813	26.07187671	25.40791022	28.20520421	27.31459284	25.94173835	18.85337095	17.37100157	15.66385075	21.20342678	19.06960269	18.07480146
13C-myristate m1						9.35589E-13	1.099513392	2.064435568	2.267814153	1.928998859	1.992992033	1.85934806	1.88598981	2.411655796	2.253451711	2.01762117	2.25011817	2.143591397
13C-myristate m2						9.69814E-13	1.874942198	2.110387362	2.239107715	2.295597298	2.322927319	2.308364821	2.542887338	2.481047829	2.554479355	2.406984351	2.625339473	2.549984194
13C-myristate m3						9.64248E-13	1.748392215	1.957893666	1.952863335	1.859183434	1.852707675	1.850916925	2.140693689	2.26985418	2.265188883	2.121034365	2.104381261	2.134364602
13C-myristate m4						9.65035E-13	1.769045175	2.127775001	2.290507687	2.306991176	2.345821725	2.309740782	2.501319665	2.504189852	2.552563848	2.390107317	2.649123737	2.551490008
13C-myristate m5						9.65648E-13	1.765674611	1.955056003	1.944474861	1.857323953	1.848971308	1.85069237	2.271339885	2.373359956	2.383635608	2.305077552	2.267521007	2.300228644
13C-myristate m6						9.61005E-13	8.010527517	8.847894933	8.641523426	8.322266088	8.687359151	9.307807243	9.64282771	9.32839761	9.63036746	8.821056703	9.624166065	9.386152509
13C-myristate m7						9.61737E-13	1.284381234	1.307577263	1.406724983	1.475569948	1.257997666	1.291974692	1.498619815	1.607950147	1.645252903	1.520938543	1.549227956	1.571366281
13C-myristate m8						9.61779E-13	4.096099819	4.173503374	4.427687159	4.307061792	4.652671619	4.786598241	4.884521513	4.774029551	4.860638443	4.727053749	5.078023471	5.085340489
13C-myristate m9						9.60783E-13	3.027054323	3.125806777	3.209651923	3.187886427	2.939836236	3.125427248	3.533356132	3.487242396	3.720551585	3.41137787	3.374316601	3.609899263
13C-myristate m10						9.67005E-13	7.804670347	8.656828406	8.43504653	8.105118293	8.509329995	9.09977051	9.436866659	9.146611996	9.412182773	8.640508493	9.443537023	9.172414264
13C-myristate m11						9.28859E-13	4.261755778	4.628467506	4.453618008	4.606796881	4.572896654	4.373187659	4.843920838	5.235257206	5.276811166	4.85472044	4.862908347	5.009170416
13C-myristate m12						9.39685E-13	13.70207097	15.15739753	15.17277239	14.22874862	14.12723553	14.73691793	15.79583606	15.75828159	16.54612699	15.52381317	15.11745373	16.21717813
13C-myristate m13						9.0973E-13	3.509704488	3.707815078	3.945115536	3.625600376	3.89935747	3.507747623	4.508566956	4.861652267	4.800585323	4.652761042	4.464447976	4.565819669
13C-myristate m14						1.08734E-12	12.5881298	14.10728483	14.20518208	13.68765265	13.67530278	13.64976755	15.65988298	16.38946805	16.4343132	15.40351845	15.51983249	15.62819867
13C-myristate m15						0	0	0	0	0	0	0	0	0	0	0	0	0
13C-myristate m16						0	0	0	0	0	0	0	0	0	0	0	0	0
13C-palmitate m0						99.99846593	70.10193484	52.12648819	58.54773402	66.75432577	62.21055229	49.67521351	46.9987925	38.93527153	45.16886258	52.24942161	42.94737463	50.78690318
13C-palmitate m1						0.001232001	0	0.106446029	0	0	0	0	0	0.024359303	0.036056011	0.072909396	0.096018747	0
13C-palmitate m2						0	0.342056896	0.387892427	0.352363123	0.409104395	0.396697904	0.567595953	0.3292996	0.358631299	0.358181498	0.241471604	0.362323146	0.382477831
13C-palmitate m3						0	0.016649563	0.023324634	0.044874256	0	0.045790344	0.014152109	0.006387848	0.041997335	0.02035138	0.00150564	0.038708402	0.01763511
13C-palmitate m4						0.000301363	0.082320101	0.098880058	0.127415471	0.102906128	0.124158078	0.211890974	0.16034468	0.100275411	0.115474538	0.119603549	0.237533569	0.151789294
13C-palmitate m5						0	0.028023406	0.049993433	0.041632918	0.051061697	0.053678444	0.081655361	0.053630527	0.048515136	0.045531072	0.050430991	0.05303597	0.067955028
13C-palmitate m6						6.71075E-07	0.182054067	0.22459455	0.272447744	0.179122857	0.289240208	0.46445551	0.333411978	0.275043943	0.309589544	0.259420983	0.512030219	0.405872124
13C-palmitate m7						0	0.099424541	0.142047423	0.133118834	0.123652014	0.130113946	0.204500033	0.158269266	0.169241155	0.168694685	0.160471035	0.218436071	0.184335091
13C-palmitate m8						3.78552E-08	0.558853038	0.851874226	0.856263604	0.698562406	0.869593753	1.266707907	1.020793745	1.071229442	1.092078904	0.942120783	1.340047178	1.151888555
13C-palmitate m9						0	0.486284923	0.580267399	0.524282683	0.396339236	0.447580295	0.594464154	0.747178928	0.705268547	0.721432307	0.584469972	0.654870526	0.591529037
13C-palmitate m10						5.19112E-10	0.486800463	0.615912613	0.570563263	0.446580039	0.509694851	0.700511773	0.78050337	0.754290491	0.770947968	0.634209874	0.757222015	0.674284523
13C-palmitate m11						0	1.395091894	2.228786035	1.960365408	1.536846174	1.767880163	2.35036405	2.446050962	2.677053376	2.568979849	2.077409032	2.694192409	2.186219405
13C-palmitate m12						5.96629E-12	5.388210933	8.484321089	7.505695255	5.732636521	6.710681403	8.949049954	9.199097259	9.959108798	9.199549158	7.902928946	9.600105287	8.290703242
13C-palmitate m13						0	2.104297874	3.510992119	2.964564198	2.245654244	2.544134615	3.389664468	3.718264354	4.508078286	3.989197338	3.397764628	3.895290725	3.358449431
13C-palmitate m14						1.12532E-12	9.381761097	15.40250958	12.91469194	10.59905668	11.94772199	15.78172066	16.48555658	19.41656623	17.01808734	14.7221592	17.36145501	15.18743021
13C-palmitate m15						9.77535E-13	1.343172136	2.217877946	1.839944868	1.588191059	1.758410879	2.176339782	2.680174615	3.325979462	2.796322311	2.602906803	3.025963922	2.610165359
13C-palmitate m16						9.95117E-13	7.821893459	12.69631315	11.12447433	8.951026255	10.0068045	13.23577833	14.6140609	17.31139416	15.34297123	13.70299718	15.88747959	13.67497353
13C-palmitate m17						9.56876E-13	0	0	0	0	0	0	0	0	0	0	0	0
13C-palmitate m18						1.20059E-12	0.18117077	0.251479094	0.219568082	0.184934522	0.187266337	0.335935475	0.268182889	0.317696096	0.277692294	0.277798773	0.317912577	0.27738905
13C-palmitate m19						0	0	0	0	0	0	0	0	0	0	0	0	0
13C-oleate m0						100	36.32607801	35.99156849	36.426777	39.84143801	41.09746049	40.66736661	23.29587036	22.33476525	21.69415065	24.8630594	24.84247599	24.33543375
13C-oleate m1						6.27656E-13	0.311111857	0.230039232	0.231269576	0.262029479	0.23336375	0.303345228	0.125782467	0.252330018	0.210133374	0.213765214	0.495509008	0.079653681
13C-oleate m2						6.54834E-13	8.109222423	8.344731497	8.367419282	7.910244066	8.208227981	8.306646296	6.269049618	6.656978603	6.8911169	6.750999393	6.743072335	6.866979339
13C-oleate m3						6.55202E-13	0.004614634	0	0	0	0	0	0	0	0	0	0	0
13C-oleate m4						6.51968E-13	0.32105925	0.328360493	0.294181495	0.31820442	0.360814812	0.310299749	0.259735622	0.168604164	0.220990106	0.255971167	0.210683366	0.182687663
13C-oleate m5						6.7135E-13	0	0	0	0	0	0	0	0	0	0	0	0
13C-oleate m6						6.14969E-13	0.006649975	0	0	0	0	0.031093093	0	0	0	0.010306971	0.048141944	0.071924562
13C-oleate m7						6.61213E-13	0	0	0	0	0	0	0	0	0	0	0	0
13C-oleate m8						6.56937E-13	0.142537734	0.158420966	0.202202587	0.22448105	0.261516678	0.31743837	0.35720077	0.252403927	0.260392261	0.215234555	0.479876296	0.473054565
13C-oleate m9						6.61308E-13	0.166148248	0.134251555	0.097693454	0.08480989	0.101127595	0.150624705	0.164082501	0.052176125	0.15321977	0.109555643	0.116156493	0.137917001
13C-oleate m10						6.60573E-13	1.189439014	1.132804384	1.272814187	1.111339704	1.058483508	1.400763909	1.459321515	1.192064091	1.492612241	1.326863933	1.576241348	1.665336247
13C-oleate m11						6.60655E-13	0.785334519	0.66047281	0.526088877	0.558722354	0.583263482	0.60549638	0.964580933	0.798951828	0.841583472	0.874605755	0.723580411	0.82988181
13C-oleate m12						6.58649E-13	3.560834547	3.469293634	3.659837073	2.958374601	3.103252835	3.596876911	4.644345959	4.187792347	4.785667813	4.284755249	4.642674278	4.373071857
13C-oleate m13						6.75819E-13	1.640355499	1.639117255	1.781422967	1.462386155	1.405043364	1.596703207	2.379011171	2.44627962	2.26980228	2.169259093	2.035775175	2.110866049
13C-oleate m14						6.11496E-13	8.326085052	8.029134892	7.709196524	7.251692565	7.273121762	7.796794386	10.01226586	9.454455845	10.37307951	9.200736762	9.597519695	9.752817627
13C-oleate m15						6.21071E-13	2.690335882	2.767085666	2.762133935	2.307578937	1.987703334	2.199159984	3.443413166	3.598692474	3.572888977	3.537836289	3.378777402	3.155778775
13C-oleate m16						6.23472E-13	11.98245783	11.63207771	11.5460723	10.57482821	9.979144758	10.02596648	14.1749351	14.26429236	14.44113798	13.72570161	13.47799232	14.0264016
13C-oleate m17						6.20842E-13	1.212588004	1.152856249	1.127146441	0.949855631	0.95552564	0.960196765	1.7084913	1.818883334	1.486772296	1.685304332	1.582925672	1.617860592
13C-oleate m18						6.10707E-13	7.883482488	7.925029062	7.658851436	7.462525083	7.211611448	7.133218189	10.07976662	10.54221649	10.24890106	9.904679281	9.691607188	9.953182303
13C-oleate m19						7.45666E-13	0	0	0	0	0	0	0	0	0	0	0	0
13C-stearate m0						100	74.16060136	55.23782595	61.47036439	76.46024869	72.29184392	52.44616184	44.97279584	38.8411683	38.8411683	48.48203552	40.14888116	48.31090993
13C-stearate m1						6.27656E-13	0	0	0.32749105	0.023298418	0.021196208	0.129458096	0	0.047900374	0.047900374	0	0.098592224	0
13C-stearate m2						6.54834E-13	2.184160758	3.699245049	3.028352576	2.096412434	2.689151778	4.209108081	2.858885653	3.066214283	3.066214283	2.936498418	3.314832999	2.835720512
13C-stearate m3						6.55202E-13	0	0	0	0	0	0	0	0	0	0	0	0
13C-stearate m4						6.51968E-13	0.095150815	0.139689124	0.121413473	0.107641725	0.130536354	0.227523898	0.021098762	0.03476116	0.03476116	0.048344561	0.118437348	0.103070714
13C-stearate m5						6.7135E-13	0	0	0	0	0	0	0	0	0	0	0	0
13C-stearate m6						6.14969E-13	0	0	0.019034562	0.019793493	0.044636531	0.07697974	0.004118236	0	0	0	0.107605235	0.062924214
13C-stearate m7						6.61213E-13	0	0	0	0	0	0	0	0	0	0	0	0
13C-stearate m8						6.56937E-13	0.1151138	0.097533175	0.143086336	0.094084981	0.15952386	0.302296764	0.233086031	0.196431935	0.196431935	0.178141116	0.3934624	0.315228609
13C-stearate m9						6.61308E-13	0.042702612	0.03120988	0.034188247	0.053993655	0.027356534	0.047152005	0.046350681	0.046207561	0.046207561	0.011751144	0.045029843	0.048384782
13C-stearate m10						6.60573E-13	0.432359865	0.621817119	0.752892366	0.434075827	0.519349415	0.977641195	0.920224841	0.970794268	0.970794268	0.753765369	1.196013782	1.037530583
13C-stearate m11						6.60655E-13	0.305527806	0.418914144	0.312635639	0.222657335	0.259210055	0.448313245	0.545226726	0.574233793	0.574233793	0.504841321	0.59049971	0.50996701
13C-stearate m12						6.58649E-13	1.376139236	2.35041001	1.984405864	1.204804327	1.500977354	2.724532851	2.978725439	3.219444133	3.219444133	2.551418619	3.39071422	2.884669319
13C-stearate m13						6.75819E-13	0.82000991	1.339526878	1.050009148	0.649351403	0.712975346	1.295653919	1.597798147	1.772667512	1.772667512	1.372334895	1.51137748	1.368654227
13C-stearate m14						6.11496E-13	3.422298775	5.56495626	4.892093264	2.80340647	3.438656343	6.032462455	6.839638155	7.517302386	7.517302386	6.048388765	7.215368171	6.31589498
13C-stearate m15						6.21071E-13	1.2311907	2.144145146	1.768943629	1.053269996	1.219952628	2.162697501	2.599479305	2.826492568	2.826492568	2.451746235	2.619093256	2.236578932
13C-stearate m16						6.23472E-13	4.937408275	8.774690106	7.396971506	4.273353993	5.352175235	8.976136313	10.67514912	11.93850529	11.93850529	10.00166942	11.19758345	9.700770747
13C-stearate m17						6.20842E-13	0.46940464	1.033739517	0.882603796	0.608760628	0.563527264	0.889314987	1.33329949	1.529387907	1.529387907	1.352390233	1.482853931	1.220095867
13C-stearate m18						6.10707E-13	3.501464038	6.24157859	5.242711753	3.279387681	3.81008641	6.394604933	8.107398294	9.121156433	9.121156433	7.843405815	8.750839124	7.736080512
13C-stearate m19						7.45666E-13	0	0	0	0	0	0	0	0	0	0	0	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
13C-myristate m0
13C-myristate m1
13C-myristate m2
13C-myristate m3
13C-myristate m4
13C-myristate m5
13C-myristate m6
13C-myristate m7
13C-myristate m8
13C-myristate m9
13C-myristate m10
13C-myristate m11
13C-myristate m12
13C-myristate m13
13C-myristate m14
13C-myristate m15
13C-myristate m16
13C-palmitate m0
13C-palmitate m1
13C-palmitate m2
13C-palmitate m3
13C-palmitate m4
13C-palmitate m5
13C-palmitate m6
13C-palmitate m7
13C-palmitate m8
13C-palmitate m9
13C-palmitate m10
13C-palmitate m11
13C-palmitate m12
13C-palmitate m13
13C-palmitate m14
13C-palmitate m15
13C-palmitate m16
13C-palmitate m17
13C-palmitate m18
13C-palmitate m19
13C-oleate m0
13C-oleate m1
13C-oleate m2
13C-oleate m3
13C-oleate m4
13C-oleate m5
13C-oleate m6
13C-oleate m7
13C-oleate m8
13C-oleate m9
13C-oleate m10
13C-oleate m11
13C-oleate m12
13C-oleate m13
13C-oleate m14
13C-oleate m15
13C-oleate m16
13C-oleate m17
13C-oleate m18
13C-oleate m19
13C-stearate m0
13C-stearate m1
13C-stearate m2
13C-stearate m3
13C-stearate m4
13C-stearate m5
13C-stearate m6
13C-stearate m7
13C-stearate m8
13C-stearate m9
13C-stearate m10
13C-stearate m11
13C-stearate m12
13C-stearate m13
13C-stearate m14
13C-stearate m15
13C-stearate m16
13C-stearate m17
13C-stearate m18
13C-stearate m19
METABOLITES_END
#END