#METABOLOMICS WORKBENCH araskind_20151218_9345241_mwtab.txt DATATRACK_ID:466 efahy_20151229_082718 STUDY_ID:ST000302 ANALYSIS_ID:AN000481 PROJECT_ID:PR000154
VERSION             	1
CREATED_ON             	December 29, 2015, 8:27 am
#PROJECT
PR:PROJECT_TITLE                 	Isocitrate dehydrogenase-1 and Glioma Studies
PR:PROJECT_SUMMARY               	Isocitrate dehydrogenase-1 (IDH1)is overexpresed in gliomas and knockdown of
PR:PROJECT_SUMMARY               	IDH1 leads to increased targeted therapy-induced cell death
PR:INSTITUTE                     	Northwestern University
PR:DEPARTMENT                    	Neurology
PR:LABORATORY                    	Stegh Lab
PR:LAST_NAME                     	Stegh
PR:FIRST_NAME                    	Alexander
PR:ADDRESS                       	Evanston, IL
PR:EMAIL                         	a-stegh@northwestern.edu
PR:PHONE                         	312-503-2879
#STUDY
ST:STUDY_TITLE                   	Isocitrate dehydrogenase-1/Glioma Fluxomics Study
ST:STUDY_SUMMARY                 	Tumor neurospheres were grown in culture until ~90% confluent. Media was changed
ST:STUDY_SUMMARY                 	to contain 1mM acetate. After 24h, 0h time points were collected and media was
ST:STUDY_SUMMARY                 	changed on all other cells to 1mM 13C-acetate containing media. Cells were then
ST:STUDY_SUMMARY                 	collected at their various time points, 1, 3, 24, 48, or 72 hours. Cells were
ST:STUDY_SUMMARY                 	collected into 15mL tubes, spun down at 100xg for 1min and media aspirated.
ST:STUDY_SUMMARY                 	Pellet was washed (not resuspended) in 150mM ammonium acetate. This was then
ST:STUDY_SUMMARY                 	aspirated off and the cells snap frozen and stored at -80C until all time points
ST:STUDY_SUMMARY                 	complete to ship on dry ice. 0h, 1h, and 3h A, B, and C samples will have gTn by
ST:STUDY_SUMMARY                 	HILIC + TCA by GCMS done on them, while 0h, 1h, and 3h D, E, and F will have
ST:STUDY_SUMMARY                 	FAMES and DG & PC analysis done on them. 24h, 48h, and 72h A, B, and C samples
ST:STUDY_SUMMARY                 	will have FAMES analysis done on them.
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@med.umich.edu
ST:PHONE                         	(734) 232-8175
ST:NUM_GROUPS                    	6
ST:TOTAL_SUBJECTS                	54
#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           	SU0011994	S00017833	Cell line:pLKO | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017834	Cell line:pLKO | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017835	Cell line:pLKO | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017836	Cell line:pLKO | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017837	Cell line:pLKO | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017838	Cell line:pLKO | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017839	Cell line:shIDH1 | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017840	Cell line:shIDH1 | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017841	Cell line:shIDH1 | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017842	Cell line:shIDH1 | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017843	Cell line:shIDH1 | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017844	Cell line:shIDH1 | Labelint time (hours):0	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017845	Cell line:pLKO | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017846	Cell line:pLKO | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017847	Cell line:pLKO | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017848	Cell line:pLKO | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017849	Cell line:pLKO | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017850	Cell line:pLKO | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017851	Cell line:shIDH1 | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017852	Cell line:shIDH1 | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017853	Cell line:shIDH1 | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017854	Cell line:shIDH1 | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017855	Cell line:shIDH1 | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017856	Cell line:shIDH1 | Labelint time (hours):1	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017857	Cell line:pLKO | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017858	Cell line:pLKO | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017859	Cell line:pLKO | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017860	Cell line:pLKO | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017861	Cell line:pLKO | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017862	Cell line:pLKO | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017863	Cell line:shIDH1 | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017864	Cell line:shIDH1 | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017865	Cell line:shIDH1 | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017866	Cell line:shIDH1 | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017867	Cell line:shIDH1 | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017868	Cell line:shIDH1 | Labelint time (hours):3	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017869	Cell line:pLKO | Labelint time (hours):24	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017870	Cell line:pLKO | Labelint time (hours):24	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017871	Cell line:pLKO | Labelint time (hours):24	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017872	Cell line:shIDH1 | Labelint time (hours):24	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017873	Cell line:shIDH1 | Labelint time (hours):24	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017874	Cell line:shIDH1 | Labelint time (hours):24	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017875	Cell line:pLKO | Labelint time (hours):48	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017876	Cell line:pLKO | Labelint time (hours):48	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017877	Cell line:pLKO | Labelint time (hours):48	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017878	Cell line:shIDH1 | Labelint time (hours):48	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017879	Cell line:shIDH1 | Labelint time (hours):48	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017880	Cell line:shIDH1 | Labelint time (hours):48	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017881	Cell line:pLKO | Labelint time (hours):72	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017882	Cell line:pLKO | Labelint time (hours):72	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017883	Cell line:pLKO | Labelint time (hours):72	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017884	Cell line:shIDH1 | Labelint time (hours):72	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017885	Cell line:shIDH1 | Labelint time (hours):72	
SUBJECT_SAMPLE_FACTORS           	SU0011994	S00017886	Cell line:shIDH1 | Labelint time (hours):72	
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Fluxomics analysis protocol-2015-03-11.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	GCMS(FAMES)
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890A
CH:COLUMN_NAME                   	Agilent DB5-MS (30m × 0.25mm, 0.25um)
CH:METHODS_FILENAME              	BROWN141008.M
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:SOFTWARE_VERSION              	EX00422-GC-FAMES-FLUX-Quant.m
AN:ANALYSIS_PROTOCOL_FILE        	Fluxomics analysis protocol-2015-03-11.docx
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_TYPE               	Single quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:INSTRUMENT_NAME               	Agilent 5975C
MS:INSTRUMENT_NAME               	Agilent 5975C MS
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Area
MS_METABOLITE_DATA_START
Samples	S00017836	S00017837	S00017838	S00017842	S00017843	S00017844	S00017848	S00017849	S00017850	S00017854	S00017855	S00017856	S00017860	S00017861	S00017862	S00017866	S00017868	S00017869	S00017870	S00017871	S00017872	S00017873	S00017874	S00017875	S00017876	S00017877	S00017878	S00017879	S00017880	S00017881	S00017882	S00017883	S00017884	S00017885	S00017886
Factors	Cell line:pLKO | Labelint time (hours):0	Cell line:pLKO | Labelint time (hours):0	Cell line:pLKO | Labelint time (hours):0	Cell line:shIDH1 | Labelint time (hours):0	Cell line:shIDH1 | Labelint time (hours):0	Cell line:shIDH1 | Labelint time (hours):0	Cell line:pLKO | Labelint time (hours):1	Cell line:pLKO | Labelint time (hours):1	Cell line:pLKO | Labelint time (hours):1	Cell line:shIDH1 | Labelint time (hours):1	Cell line:shIDH1 | Labelint time (hours):1	Cell line:shIDH1 | Labelint time (hours):1	Cell line:pLKO | Labelint time (hours):3	Cell line:pLKO | Labelint time (hours):3	Cell line:pLKO | Labelint time (hours):3	Cell line:shIDH1 | Labelint time (hours):3	Cell line:shIDH1 | Labelint time (hours):3	Cell line:pLKO | Labelint time (hours):24	Cell line:pLKO | Labelint time (hours):24	Cell line:pLKO | Labelint time (hours):24	Cell line:shIDH1 | Labelint time (hours):24	Cell line:shIDH1 | Labelint time (hours):24	Cell line:shIDH1 | Labelint time (hours):24	Cell line:pLKO | Labelint time (hours):48	Cell line:pLKO | Labelint time (hours):48	Cell line:pLKO | Labelint time (hours):48	Cell line:shIDH1 | Labelint time (hours):48	Cell line:shIDH1 | Labelint time (hours):48	Cell line:shIDH1 | Labelint time (hours):48	Cell line:pLKO | Labelint time (hours):72	Cell line:pLKO | Labelint time (hours):72	Cell line:pLKO | Labelint time (hours):72	Cell line:shIDH1 | Labelint time (hours):72	Cell line:shIDH1 | Labelint time (hours):72	Cell line:shIDH1 | Labelint time (hours):72
FA_14:0_Me	212834	178643	132775	206943	173022	264599	142665	201310	581080	331634	152993	239727	214946	79747	106045	269457	194868	51404	117731	91519	193610	78820	95217	173714	171125	198135	126374	157410	87644	147986	210589	104329	284651	286611	168717
FA_14:0_Me_13C_1	1359	666	206	636		766	442		2241			852	3061	1001	399	1006	359	1181	3596	2209	5535	3349	2956	7614	7718	10744	6609	8118	4366	6723	9432	4984	14770	13616	9877
FA_14:0_Me_13C_2	138		26		122	447	748	481	266	893	606	641	1745	784	1339	2945	2315	15352	38875	31281	67214	30535	36579	75193	81930	99086	41393	51831	30281	46227	75504	38158	47340	49107	28197
FA_14:0_Me_13C_3													467		189	486	76	1949	4018	2281	4958	2881	3200	5965	5761	6456	2354	3615	1969	3206	4802	2630	3212	3853	1661
FA_14:0_Me_13C_4													4441	1297	1722	3909	2468	17906	38768	33921	44510	22102	24381	40253	43444	53709	19996	22606	13384	16708	33963	17896	17599	19001	10836
FA_14:0_Me_13C_5													415	120	368	780	727	1866	3524	3254	3922	1852	2362	3070	3520	3557	1855	2140	1307	964	3172	1281	1629	1242	891
FA_14:0_Me_13C_6													5654	2399	3191	7106	4410	15475	28690	26047	27411	14594	16589	21845	23436	29641	13010	11866	6407	6261	17266	10897	10312	9574	6164
FA_14:0_Me_13C_7													1122	550	1401	2692	2611	3319	3127	4334	4138	3719	3694	3258	5006	3755	3304	2723	2524	2173	3308	3060	3039	2061	4422
FA_14:0_Me_13C_8													5259	1773	2885	7721	4896	8675	17322	16801	14493	9305	7654	11284	11300	15155	7089	6775	3452	3580	10102	4999	6666	6416	3655
FA_14:0_Me_13C_9																		1883	1345	2377	2510	2197	1623	1095	1903	2459	1846	912	1296	2335	1750	1163	1554	1197	1635
FA_14:0_Me_13C_10													3290	1459	2796	6589	4775	4585	7813	6901	7874	5421	4589	4487	6173	6888	3851	4030	2532	2645	4397	2847	3050	3212	3093
FA_16:0_Me	6365575	5493058	4117293	7958537	6201454	9926418	4671689	6890874	16700629	11652476	5842847	8814173	7395639	2740040	3690800	11439789	8205932	1998084	4808211	3929503	8669426	4119100	4619864	5503735	5410689	5979690	5008701	6266440	3526903	4711034	6055412	3061716	9247002	9378385	5895113
FA_16:0_Me_13C_1	50697	44746	25843	59345	35297	97137	22681	48857	180312	113396	41464	65773	59655	11886	19847	93030	65772	23217	91800	61663	242699	93413	115085	231919	193723	265920	239149	294654	163264	204778	331874	154276	493818	523725	307084
FA_16:0_Me_13C_2	682			1229	3094		5472	6253	13162	7845	277	5139	25840	11210	14157	35445	21908	336364	914207	686089	1826973	848371	1013654	1877207	1836274	2277573	1406238	1885341	1063370	1398514	2268648	1162527	1842129	2013939	1190857
FA_16:0_Me_13C_3	722	1323	1129	455	230	813	613	1527	1749	698	198	1450	4881	1648	3259	5430	2704	39644	97153	79663	166192	85179	92760	159395	148696	198681	126707	166054	87348	100106	192168	96393	153579	165363	97653
FA_16:0_Me_13C_4							3281	5017	11722	6125	3122	5330	45421	18135	23523	52355	33559	432653	1011205	879702	1311205	714064	798555	1134925	1181230	1482069	861863	1038624	592908	655167	1337692	707507	913241	954445	576292
FA_16:0_Me_13C_5							438	564	3045	1142	360	894	6294	2314	3274	9293	5898	45256	99885	90339	122036	69375	72810	91674	96026	131844	86494	95874	52045	44963	117527	57822	90735	85806	50669
FA_16:0_Me_13C_6							6006	8333	21469	13818	7278	11707	68115	26762	34294	93935	62867	397866	841781	802771	900217	536966	546523	690357	718581	940518	612668	670645	385078	336419	829289	451570	618386	609472	376494
FA_16:0_Me_13C_7							846	1450	3726	3142	806	2826	8466	3549	3963	15113	10279	36480	81305	78112	84134	53791	51087	57520	63216	85950	57992	63867	31726	26859	71216	38465	60040	57875	36170
FA_16:0_Me_13C_8							8296	11459	30398	23386	10722	19981	73231	26223	36215	124207	89609	277440	562099	573394	594528	370652	347554	417243	420215	572785	421824	425207	242580	180791	484289	266682	429803	402345	256330
FA_16:0_Me_13C_9							953	1330	4531	3988	1953	3225	8869	3043	4077	16696	12645	25951	48874	49926	58748	37410	31519	33878	36226	52389	39857	39090	21469	13671	40707	23130	45023	39267	25552
FA_16:0_Me_13C_10							8303	11457	31600	31526	13122	24277	58577	20855	27263	122367	94324	152133	312293	315454	354787	221905	192327	222813	220885	309135	246521	236981	129480	91006	247272	133796	270482	237835	156509
FA_16:1_Me	231214	197720	144391	332849	254254	438338	160377	243714	733056	508242	233262	392092	190764	104890	137507	548803	396923	105042	254410	209848	525298	226044	253231	275056	261630	321105	211522	275329	140536	227416	260097	124094	418891	435789	248013
FA_16:1_Me_13C_1	549	711	734	83	1221	1771		1763	36	7815			15527				3214		3899	2551	4512	2124	2573	5406	2646	5813	2678	7288	4875	3598	6328	4774	11583	7899	4038
FA_16:1_Me_13C_2	651	927	624			1425	972					1965		1131	638			7569	15486	12361	30013	13736	18365	34059	31794	47266	27624	36369	19190	24956	49730	23458	42267	48114	27549
FA_16:1_Me_13C_3																		131	1525	2156		3354	2454	3466		4493	2804	2298	2647	3628		3200	80	3386	2862
FA_16:1_Me_13C_4																		8067	15738	13679	19135	9230	13859	22060	23044	34052	20553	24065	13187	14066	37229	17124	23259	25617	13657
FA_16:1_Me_13C_5																		811	2520	1803	3287	1066	1447	2642	1774	3359	2563	3246	1711	1130	3664	2951	3644	2846	2009
FA_16:1_Me_13C_6																		5681	11692	13020	14301	8904	10822	14623	15735	23767	14978	15881	8952	7611	25363	12771	16671	20649	10980
FA_16:1_Me_13C_7																		1143	1011	1676	2643	1088	930	1641	1592	1881	1900	1138	870	66	2174	1170	2159	2407	859
FA_16:1_Me_13C_8																		4534	9373	9737	10962	6648	6532	9735	9818	15509	11278	11941	6575	5078	15277	7686	12008	13903	7994
FA_16:1_Me_13C_9																		257	1333	692	1403	843	1147	653	1026	1459	1120	1355	400	32	1488	1122	1786	1984	1027
FA_16:1_Me_13C_10																		827	1616	1297	583	185	504	701	1113	1874	931	825	3832	1743	4597	2102	9495	8510	4665
FA_18:0_Me	11992390	10720032	8444689	15755304	12939912	19170950	9454631	13168635	26987540	21797963	12533016	17277036	13925904	5807002	7865909	21024020	16428243	4869602	10252436	8498185	16301363	9268212	10204836	10562523	10064631	11239134	9817563	11739371	7262831	9360490	10418730	6230133	17076489	17234069	11801366
FA_18:0_Me_13C_1	48909	47557	18913	98254	64173	89450	39769	30224	241562	153198	50536	112525	62989	30735	35454	162351	72789	51093	117217	113481	317205	147651	176080	303282	273488	363203	374542	457677	262621	319756	480817	260857	847185	784320	525683
FA_18:0_Me_13C_2	9326		4217	1675		8164	29728	55014	94750	82761	48875	57543	181482	74221	96059	249377	196014	624962	1373148	1117857	2513154	1407740	1552778	2833088	2639476	3359574	2465152	3064513	1955315	2456190	3729968	2264705	3389857	3659593	2407192
FA_18:0_Me_13C_3	1340	1616			2040	839	2656	1315	4839		1541	2190	3039	2781	2262	3566	3146	49972	107562	91480	193912	116030	123706	224569	191901	258170	207810	266232	153136	175868	303286	178926	277116	292191	189899
FA_18:0_Me_13C_4	1991		432	92		706	4225	4376	9045	6949	3687	5002	42807	21131	26318	43063	27406	529881	1094038	959351	1460943	949289	1026694	1568694	1552290	2041278	1409393	1636023	1047888	1127162	2221245	1376026	1602045	1719498	1106458
FA_18:0_Me_13C_5													6784	3740	4090	8339	4642	60984	121588	111532	163306	102944	103255	160041	146653	202317	154874	165422	102301	96130	218038	127213	177999	169032	111914
FA_18:0_Me_13C_6							5694	7307	13526	8965	5214	7524	59572	30298	39610	68802	45274	554051	1010220	987732	1033042	763075	751780	1049775	1037054	1411731	1076875	1110723	706414	623262	1508807	953313	1129785	1155335	749749
FA_18:0_Me_13C_7							778	1141	2378	1373	940	1341	9529	4186	5865	14096	9427	59783	115728	112960	114610	85854	78697	101227	101455	148384	117871	116330	72612	53994	151990	92358	110378	111956	79272
FA_18:0_Me_13C_8							8196	9383	19707	13834	8432	12860	76466	34057	45922	100254	69072	452393	783605	795454	764173	566429	523216	680506	679621	957781	792886	756412	478628	356088	963074	611368	817932	778281	534960
FA_18:0_Me_13C_9							1246	1800	2701	3080	1616	2795	9841	3733	5940	17701	12405	42390	75651	81655	76995	61921	53566	68538	62330	99709	85931	77200	47200	32479	89733	57080	82457	77087	56228
FA_18:0_Me_13C_10							9056	11838	23687	22592	12223	19354	61913	31421	41276	116610	80452	277923	497291	532506	492149	388396	323978	414176	397704	578965	521221	474573	296119	193196	545941	353856	527626	481855	352808
FA_18:1_Me	3444965	3147426	2560811	4637912	3975396	5459412	2828833	3682321	6891124	6118706	3932490	5205639	3950795	1969511	2531623	6269816	5023543	1880871	3544944	3100422	5603939	3473652	3808979	3616411	3515917	3916187	3407345	4053611	2667703	3362068	3458819	2143561	5440244	5375553	3975228
FA_18:1_Me_13C_1	54144	56413	31721	87166	73830	130105	43569	62726	188543	148720	67889	122769	61262	26648	37185	155169	116247	23583	61561	53908	163838	65852	90366	109223	86881	112321	103127	124871	101525	108747	132378	79416	255346	229670	161020
FA_18:1_Me_13C_2	38943	28531	24418	112240	80479	45912	25022	44971	23634	108664	75684	125375	52719	21964	32243	152171	115894	122312	221593	196111	342545	257853	294601	445495	438438	526483	472261	593690	391732	477958	664956	401704	353150	464551	487641
FA_18:1_Me_13C_3	1688	5133	3280		3376	16275	2811	1432	9832	6474	7208	5374	5686	2957	5718	13574	4299	7732	10857	16224	23165	22437	21504	40591	29346	46278	30686	46551	33411	34211	61412	44687	83967	62420	49413
FA_18:1_Me_13C_4																		71816	123733	117808	103965	109893	126711	225657	224654	231683	242150	262612	196306	203052	411125	266715	229022	296030	230182
FA_18:1_Me_13C_5																		11196	15904	17878	18597	12486	15728	28911	20955	45795	30953	37138	18737	20529	46898	33552	6647	17283	25629
FA_18:1_Me_13C_6																		73287	114296	121540	92867	87276	94215	154248	153393	215445	191115	194189	137334	115554	282770	196244	112053	160836	155201
FA_18:1_Me_13C_7																		8787	14989	16132	4344	13670	11862	21019	15713	25012	23539	25339	18354	11533	38491	22464	34298	28994	18569
FA_18:1_Me_13C_8																		59514	88430	99588	67340	66213	68386	106159	96964	150755	144121	109741	99355	66568	194996	134000	131188	141172	116003
FA_18:1_Me_13C_9																		7475	11127	13496	9380	10479	9231	10986	8798	20423	19774	19750	11848	7379	22874	13845	8897	8671	16315
FA_18:1_Me_13C_10																		40198	61375	67622	56206	49626	45765	63983	58854	93337	98096	86825	62008	36578	110337	78473	53173	102090	79572
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Full Name	PubChem CID
FA_14:0_Me	Myristic acid	11005
FA_14:0_Me_13C_1	Myristic acid	11005
FA_14:0_Me_13C_2	Myristic acid	11005
FA_14:0_Me_13C_3	Myristic acid	11005
FA_14:0_Me_13C_4	Myristic acid	11005
FA_14:0_Me_13C_5	Myristic acid	11005
FA_14:0_Me_13C_6	Myristic acid	11005
FA_14:0_Me_13C_7	Myristic acid	11005
FA_14:0_Me_13C_8	Myristic acid	11005
FA_14:0_Me_13C_9	Myristic acid	11005
FA_14:0_Me_13C_10	Myristic acid	11005
FA_16:0_Me	Palmitic acid	985
FA_16:0_Me_13C_1	Palmitic acid	985
FA_16:0_Me_13C_2	Palmitic acid	985
FA_16:0_Me_13C_3	Palmitic acid	985
FA_16:0_Me_13C_4	Palmitic acid	985
FA_16:0_Me_13C_5	Palmitic acid	985
FA_16:0_Me_13C_6	Palmitic acid	985
FA_16:0_Me_13C_7	Palmitic acid	985
FA_16:0_Me_13C_8	Palmitic acid	985
FA_16:0_Me_13C_9	Palmitic acid	985
FA_16:0_Me_13C_10	Palmitic acid	985
FA_16:1_Me	Palmitoleic acid	445638
FA_16:1_Me_13C_1	Palmitoleic acid	445638
FA_16:1_Me_13C_2	Palmitoleic acid	445638
FA_16:1_Me_13C_3	Palmitoleic acid	445638
FA_16:1_Me_13C_4	Palmitoleic acid	445638
FA_16:1_Me_13C_5	Palmitoleic acid	445638
FA_16:1_Me_13C_6	Palmitoleic acid	445638
FA_16:1_Me_13C_7	Palmitoleic acid	445638
FA_16:1_Me_13C_8	Palmitoleic acid	445638
FA_16:1_Me_13C_9	Palmitoleic acid	445638
FA_16:1_Me_13C_10	Palmitoleic acid	445638
FA_18:0_Me	Stearic acid	5281
FA_18:0_Me_13C_1	Stearic acid	5281
FA_18:0_Me_13C_2	Stearic acid	5281
FA_18:0_Me_13C_3	Stearic acid	5281
FA_18:0_Me_13C_4	Stearic acid	5281
FA_18:0_Me_13C_5	Stearic acid	5281
FA_18:0_Me_13C_6	Stearic acid	5281
FA_18:0_Me_13C_7	Stearic acid	5281
FA_18:0_Me_13C_8	Stearic acid	5281
FA_18:0_Me_13C_9	Stearic acid	5281
FA_18:0_Me_13C_10	Stearic acid	5281
FA_18:1_Me	Oleic acid	445639
FA_18:1_Me_13C_1	Oleic acid	445639
FA_18:1_Me_13C_2	Oleic acid	445639
FA_18:1_Me_13C_3	Oleic acid	445639
FA_18:1_Me_13C_4	Oleic acid	445639
FA_18:1_Me_13C_5	Oleic acid	445639
FA_18:1_Me_13C_6	Oleic acid	445639
FA_18:1_Me_13C_7	Oleic acid	445639
FA_18:1_Me_13C_8	Oleic acid	445639
FA_18:1_Me_13C_9	Oleic acid	445639
FA_18:1_Me_13C_10	Oleic acid	445639
METABOLITES_END
#END