#METABOLOMICS WORKBENCH TEXT OUTPUT STUDY_ID:	ANALYSIS_ID:	
VERSION             	1
CREATED_ON          	2017-06-05
#PROJECT
PR:PROJECT_TITLE    	MJ Rosi
PR:PROJECT_TYPE     	MS analysis
PR:PROJECT_SUMMARY  	Rosi treatment of human adipose tissue
PR:INSTITUTE        	Boston University
PR:DEPARTMENT       	Department of Medicine
PR:LABORATORY       	Lee, Mi-Jeong Lab
PR:LAST_NAME        	Lee
PR:FIRST_NAME       	Mi-Jeong
PR:ADDRESS          	Boston, MA
PR:EMAIL            	lee.mijeong@gmail.com
PR:PHONE            	617-429-2669
PR:FUNDING_SOURCE   	
PR:PROJECT_COMMENTS 	
PR:PUBLICATIONS     	
#STUDY
ST:STUDY_TITLE      	MJ Rosi 1
ST:STUDY_TYPE       	MS analysis
ST:STUDY_SUMMARY    	Reprograming of `white? to `brite? adipocytes with higher oxidative capacity and improved endocrine function represents a potentially important approach to address the dysfunctional adipocyte phenotypes in obesity. We find that chronic treatment with the PPAR? agonist (rosiglitazone, 1 uM for 7days in vitro) in white human adipose tissue induced metabolic changes.   Our trancriptome analysis showed that higher mitochondrial and peroxisomal fatty acid oxidation pathways and other genes involved in lipid metabolism including (re)esterification are induced by rosiglitazone treatment. To understand the biochemical basis of brite vs. white human adipocytes, we will perform comprehensive metabolomic profiling of control and rosiglitazone treated tissues using unbiased lipidomics approach.
PR:INSTITUTE        	University of Michigan
PR:DEPARTMENT       	Biomedical Research Core Facilities
PR:LABORATORY       	Metabolomics core
PR:LAST_NAME        	Kachman
PR:FIRST_NAME       	Maureen
PR:ADDRESS          	6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714
PR:EMAIL            	mkachman@med.umich.edu
PR:PHONE            	(734) 232-8175
ST:SUBMIT_DATE      	06/07/2016 03:59:33 PM
ST:NUM_GROUPS       	2
ST:TOTAL_SUBJECTS   	4
ST:STUDY_COMMENTS   	
#SUBJECT_SAMPLE_FACTORS:          	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS            	SU0014815	S00022664	TYPE:control	
SUBJECT_SAMPLE_FACTORS            	SU0014815	S00022665	TYPE:control	
SUBJECT_SAMPLE_FACTORS            	SU0014815	S00022666	TYPE:Rosi	
SUBJECT_SAMPLE_FACTORS            	SU0014815	S00022667	TYPE:Rosi	
SUBJECT_SAMPLE_FACTORS            	SU0014816	S00022668	TYPE:control	
SUBJECT_SAMPLE_FACTORS            	SU0014816	S00022669	TYPE:control	
SUBJECT_SAMPLE_FACTORS            	SU0014816	S00022670	TYPE:Rosi	
SUBJECT_SAMPLE_FACTORS            	SU0014816	S00022671	TYPE:Rosi	
SUBJECT_SAMPLE_FACTORS            	SU0014817	S00022672	TYPE:control	
SUBJECT_SAMPLE_FACTORS            	SU0014817	S00022673	TYPE:control	
SUBJECT_SAMPLE_FACTORS            	SU0014817	S00022674	TYPE:Rosi	
SUBJECT_SAMPLE_FACTORS            	SU0014817	S00022675	TYPE:Rosi	
SUBJECT_SAMPLE_FACTORS            	SU0014818	S00022676	TYPE:control	
SUBJECT_SAMPLE_FACTORS            	SU0014818	S00022677	TYPE:control	
SUBJECT_SAMPLE_FACTORS            	SU0014818	S00022678	TYPE:Rosi	
SUBJECT_SAMPLE_FACTORS            	SU0014818	S00022679	TYPE:Rosi	
#SUBJECT
SU:SUBJECT_TYPE                   	HUMAN
SU:SUBJECT_SPECIES                	Homo sapiens
SU:TAXONOMY_ID                    	9606
#COLLECTION
CO:COLLECTION_SUMMARY             	-
#TREATMENT
TR:TREATMENT_SUMMARY              	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY             	-
SP:SAMPLEPREP_PROTOCOL_FILENAME   	A004 - Shotgun Lipidomics
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE            	C18
CH:INSTRUMENT_NAME                	TripleTOF 5600+ (Absciex)
CH:COLUMN_NAME                    	ACQUITY UPLC HSS T3, 100A, 1.8mkm, 2.1mm X 50mm (Waters Corporation)
CH:METHODS_FILENAME               	LIP_15min_MSMS_Jenny_New_20min_Negative
#ANALYSIS
AN:ANALYSIS_TYPE                  	HRMSMS
AN:INSTRUMENT_NAME                	TripleTOF 5600+ (Absciex)
AN:ANALYSIS_PROTOCOL_FILE         	A004 - Shotgun Lipidomics
AN:ACQUISITION_PARAMETERS_FILE    	LIP_15min_MSMS_Jenny_New_20min_Negative
AN:PROCESSING_PARAMETERS_FILE     	-
#MS
MS:INSTRUMENT_TYPE                	QTOF
MS:MS_TYPE                        	ESI
MS:ION_MODE                       	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area normalized
MS_METABOLITE_DATA_START
Sample	S00022664	S00022665	S00022666	S00022667	S00022668	S00022669	S00022670	S00022671	S00022672	S00022673	S00022674	S00022675	S00022676	S00022677	S00022678	S00022679
Factors	TYPE:control	TYPE:control	TYPE:Rosi	TYPE:Rosi	TYPE:control	TYPE:control	TYPE:Rosi	TYPE:Rosi	TYPE:control	TYPE:control	TYPE:Rosi	TYPE:Rosi	TYPE:control	TYPE:control	TYPE:Rosi	TYPE:Rosi
CL 78:3	8677.537594	2605.306113	14100.76176	8071.810605	11836.25132	14259.57781	8761.642675	23547.12614	20220.58421	7121.657613	19766.94168	16111.74627	10178.856	13085.14155	9317.747488	21138.81747
FFA(16:0)	21667978.35	21616889.39	22166480.98	21733613.37	11488867.72	12461620.1	19870078.86	13940590.61	16641778.59	23170162.85	17920620.5	21593188.21	14199045.59	11079154.5	14291213.53	17158758.58
FFA(18:0)	24742586.38	20837816.69	21568730.6	20587828.04	13182285.83	15535440.41	23681233.45	13923519.88	24101500.68	25831035.07	23005992.92	25353122.03	18007600.58	14821247.34	18014643.99	19961820.85
FFA(18:1)	12802133.03	26204860.24	29413006.71	31471916.48	7313380.1	12170740.21	21059028.28	15442918.06	10236611.3	28795851.49	12139998.63	26517060.83	5856096.958	4202848.659	8638873.807	14000234.65
FFA(18:2)	3741260.413	9727183.086	10034436.37	11061460.44	1565579.453	2802319.55	5320098.73	4099453.089	1471270.323	6217169.84	1739791.1	4710398.327	793583.14	528374.4562	1418582.46	2161336.221
FFA(20:0)	496890.7072	371847.68	432396.8993	437870.9609	387913.0088	438664.1661	569728.9488	481290.0166	440729.6291	491027.313	414117.5388	819189.9569	377424.1795	366367.0043	343312.879	465549.6531
FFA(20:1)	549615.0107	1032233.398	1552174.414	1931590.308	396877.1038	562645.1858	1207422.616	983759.507	339796.4436	856701.5416	359919.2797	918826.6279	231072.1043	185040.2585	375263.0237	632169.1328
FFA(20:2)	206448.793	467127.4157	654414.6412	750671.2964	145387.6314	213568.8906	482137.7036	371842.8284	149396.9323	371305.1594	142375.438	380195.0746	94014.61222	52698.38856	133811.9342	226298.5747
FFA(20:4) Arachidonic acid	431991.5124	1194712.667	503021.2863	477901.5817	127938.7771	192718.8629	361862.6763	215936.2804	442941.563	1984958.815	439057.152	1252267.938	360233.6446	150963.8135	363801.7433	476584.1803
FFA(22:0)	192700.8345	166417.0207	155715.1212	177870.9362	119285.5788	169020.5875	250734.1394	117456.2972	206564.6031	315299.9561	199916.8826	342126.8902	113993.0452	92122.82166	133697.4081	183756.9378
FFA(22:1)	67673.61339	91946.0016	103233.0221	113523.1286	53408.62981	108389.3847	108767.0298	115588.5265	51235.63339	65895.95182	56589.08715	77036.27965	25617.56448	30085.54195	45920.90686	65935.21147
FFA(22:2)	27424.14438	43987.71229	57478.61522	82111.85955	19358.86709	27288.50115	56630.49337	36729.52015	13731.67116	27620.26022	19197.69978	30148.01169	9978.037209	8306.510361	11561.88642	25309.5484
FFA(22:3)	8923.297026	18458.40356	42045.54797	57461.11268	8860.942744	30751.73027	44440.85263	35671.72139	19420.82198	18619.63644	19271.32146	20666.52051	17753.24319	8881.064805	22288.6178	18917.27638
FFA(24:0)	109842.9411	109192.5974	87744.03358	121107.8948	90268.1189	106090.6107	144318.5906	75803.96049	117656.972	175640.5763	126410.6938	212198.1476	45756.89992	41222.06547	63213.15976	100066.6
FFA(24:1)	86154.91488	105262.5514	131409.9314	146442.3832	63080.21354	97975.86505	144928.568	85197.54132	100728.4004	129844.3678	92816.28453	133301.6038	45410.87324	39136.38005	52486.27373	122327.5464
FFA(24:2)	32122.51042	56587.41492	50820.49136	55589.24841	18478.76706	35255.36393	52005.02374	28906.32973	26608.1275	46311.49848	31577.05379	39081.53323	15857.71082	15147.37383	26786.15935	31500.07322
FFA(24:3)	4211.955714	3684.917864	2971.992154	6361.712903	2374.503525	1627.431555	3484.808498	4628.578896	4529.071928	5041.499403	2209.954833	5044.973772	3643.002832	1024.477689	2277.496364	2531.197217
PA 34:2	4616.373699	1085.329359	1240.650369	2782.963388	4060.020117	4110.565391	7432.39361	4281.887033	6351.266628	7266.743512	3059.184263	728.8993569	2002.935882	2687.679906	5334.683313	3805.817431
PC 28:0	8481.562087	3571.311946	8350.619875	7106.19434	5545.348255	5552.673012	8275.014539	8579.743701	5986.243487	9465.298983	6321.663674	3849.558754	4848.482482	3857.277365	6781.043793	6713.434739
PC 30:0	38413.36239	10121.844	36123.53236	38501.01167	22864.6739	19874.65064	23813.35044	33358.17846	36193.19201	19354.09526	35003.46715	36556.57892	23163.76726	27672.57141	24236.83966	22809.40533
PC 30:1	12442.61762	5795.803076	17379.42506	18025.61335	14206.01407	12764.26063	20594.47647	18369.37163	20443.68575	6590.806569	29961.42177	17029.70842	9681.284495	10368.83729	18603.42216	15213.13753
PC 31:0	13065.04311	11863.35933	8598.408281	12647.72382	9829.150437	7180.935798	12464.8197	12393.06423	13588.85707	14542.7154	10336.29693	16583.15355	8124.385389	6169.628161	9064.979585	10200.21782
PC 32:0	130387.2679	145330.249	140082.2266	106333.3761	76180.42689	120881.4962	109196.391	102408.6268	96872.36911	121579.1024	70517.40284	160932.6177	86327.40023	86147.42841	111723.6927	131375.0577
PC 32:1	121890.3339	40712.32012	119561.4308	116610.9726	91858.28105	99990.67729	98170.56381	166034.4635	214335.9359	91201.01235	315134.9531	169934.6074	97834.59051	128905.1887	127580.4867	148012.1816
PC 32:2	64458.71387	27078.67221	72356.28996	79957.33227	45072.05888	43684.04666	57127.9337	56070.56524	118055.4357	77202.88844	135677.781	70203.61361	59256.07937	38398.31401	85793.12376	71006.85313
PC 33:1	24595.02492	17403.49844	23035.22964	28102.6357	25660.33405	29896.32781	28662.6402	24401.25533	37564.71834	43889.39636	40213.24918	46206.7855	27944.66004	17954.04736	29648.22758	24423.19772
PC 33:2	37131.77569	32372.28541	36172.40786	33372.32162	20794.7948	28417.68419	25908.79675	21578.52891	36397.17014	55279.48041	35150.76003	47381.15855	15476.80024	23591.35341	27595.88712	36449.65935
PC 34:1	415798.3351	376569.9478	468520.2549	495809.564	377269.1521	470716.9395	492543.7486	355115.433	786394.2013	577513.1639	696047.4891	654717.5331	456273.0381	355628.2724	560545.6978	568085.257
PC 34:2	515638.0585	374630.8286	636249.4086	637223.5529	301948.1637	299495.6766	459286.5732	284068.9289	576816.5899	687561.9473	701284.9569	579434.1428	362551.0819	287576.8654	442855.6026	541715.6949
PC 34:3	96003.75302	47412.92184	125010.8982	131028.8138	59819.89844	56295.54942	66173.72328	61366.35758	132984.9292	82743.69089	151815.9445	98906.4253	57752.05265	33353.97869	88757.82756	115628.2986
PC 35:1	12359.17747	5290.758542	11433.21653	19372.91162	13327.19008	7620.993183	19227.79656	7801.295368	37631.2054	15550.85491	28731.28906	11253.22039	8035.71288	5496.741317	8685.950051	13799.45519
PC 35:2	19904.64447	22398.33024	17522.68323	20625.21769	17705.65543	14473.13506	35663.50131	13524.69623	20874.96827	25031.27323	45102.13453	24155.53328	12731.27386	11191.43258	16541.59674	21511.20958
PC 35:3	13263.71787	9094.228656	24747.76578	22607.55348	8883.84786	7528.921053	16934.94267	12015.12412	22405.11362	20449.14354	13097.4639	23852.01092	11806.90171	7153.703187	16651.69186	13853.91918
PC 36:1	77116.57917	35464.92738	82131.6601	65141.45692	72414.70861	95234.14355	95259.46158	79568.97504	151744.8513	128957.7363	112326.5982	120021.8429	82551.38903	64659.97592	82079.44233	100947.3354
PC 36:2	265315.555	173621.5776	332459.4049	318557.1777	165754.4481	203030.709	296682.0743	173976.9942	320997.9055	402349.6469	353198.4586	375506.9002	165191.8778	133266.3477	238844.9273	231414.0356
PC 36:3	218115.8121	129362.8895	314510.5456	271642.2801	118716.39	125708.9826	197399.2115	130692.8309	206897.885	281828.5369	237779.0795	278788.9471	127309.1696	107541.3209	163837.5699	191483.6426
PC 36:4	59836.77455	73011.74145	97788.72961	95222.74318	53736.31902	47235.68072	82573.70456	58446.3834	141936.3811	76818.08109	79337.60119	87269.63855	92918.1194	72999.69553	124397.9711	123553.2558
PC 36:5	25109.59744	13144.77687	31293.88319	47740.14229	12433.13766	15782.5483	30065.96809	21846.60913	32843.68456	14048.87197	55591.76491	19692.90137	22523.35812	15195.67965	32371.86706	24977.67344
PC 37:4	10588.97982	5358.461613	2681.949963	11355.61044	3966.209906	2451.871999	5159.701121	4295.890984	9930.405544	5595.473538	15790.86089	17691.34119	4836.131579	2051.028074	12307.0391	7519.667839
PC 38:2	10512.52436	6589.373589	13354.40807	13131.79548	18174.71942	9738.581579	16732.41277	18297.32301	11071.93197	11298.65651	18589.50039	20386.6837	8629.772737	11747.43498	16490.30723	16820.69373
PC 38:3	19282.62081	13814.73562	30135.51975	34724.52998	21183.31261	20295.9348	40370.41288	23285.32755	31676.58609	28055.47324	35293.29957	30021.18522	31046.23549	20293.78816	31692.91565	31997.55044
PC 38:4	48422.11302	35302.35054	38008.52956	47657.29939	41766.31271	25130.42223	82961.89109	49774.23123	78862.4433	74550.91774	67933.96738	73276.52271	70862.40319	54347.35926	90048.67759	78576.96713
PC 38:5	54523.54615	33619.00573	60482.4796	59046.46308	34904.6007	35805.24561	68005.469	40763.49379	67482.05603	40223.6856	62003.1194	70226.40232	53134.56044	47288.66429	62602.7316	54692.75261
PC 38:7	1741.137295	1606.190281	2179.280469	5606.783802	1028.500821	2939.03876	4982.378021	4486.213416	5151.969856	1659.054402	9013.026916	5213.035922	2903.808527	2829.254014	4766.426219	6343.221608
PC 40:4	4782.986338	1312.532821	3803.499919	4012.708832	2795.528024	3482.506265	5664.765374	4841.798036	6347.668165	1587.320168	7823.091123	8830.709147	5064.866993	6345.422727	2662.788695	2933.888314
PC 40:5	7075.364477	3449.944444	7388.604824	12100.26752	3629.010844	4459.611569	9374.167424	7789.779683	5238.911024	12064.57419	5369.419041	16328.74615	7495.867813	7936.505002	11370.11102	9324.212085
PC 40:7	935.0078155	120.9230198	6732.810351	4497.780009	3383.024454	2258.665816	6846.304416	8609.298965	7751.732738	857.5899934	8036.936056	4141.715427	1286.538105	4195.549772	3358.318425	3466.753704
PC 40:8	10888.23193	15055.84881	27215.66815	22390.33187	11909.95176	14756.86392	17070.35841	10421.52172	13307.894	27218.97468	9136.007456	23127.07192	18892.99025	14285.04084	11870.06594	11408.11355
PE 30:0	2836.994705	1739.602082	8407.892238	5484.32897	3455.925109	3010.563335	3333.305583	3033.173342	3964.353584	2250.923689	2806.099934	5575.376644	2954.574844	2039.867691	1122.753668	4598.211248
PE 32:2	2849.98054	2744.991249	5697.436211	3661.713228	7343.493427	5356.968837	5988.539907	9944.52844	14241.89562	4804.81686	23535.94186	16419.09779	6866.45831	6600.611386	7101.578792	6895.517067
PE 34:1	73322.7525	23293.87358	84107.6878	100532.5673	84011.74954	94683.38341	77801.31402	143662.0505	143750.0337	45873.63577	215494.5598	106558.9009	72384.89811	100996.8379	107988.8116	94761.59395
PE 34:2	94548.70753	59922.38444	175787.9112	122346.6172	138979.0777	158686.791	106576.372	183054.1249	232634.2785	142476.8961	272038.9454	146189.3975	133158.9372	147133.2923	173922.2205	154535.796
PE 34:3	41006.21504	9755.163152	62580.44713	60577.05256	53569.72202	69494.40129	53070.76526	89226.94238	151588.2613	41053.18652	205214.6719	101735.4483	42553.18972	46419.82312	65094.60653	65937.10998
PE 35:1	2585.81678	1340.958373	3955.443179	5256.58914	4329.835457	2361.370435	4247.434242	2474.316513	6175.110199	3165.707285	4725.524922	5778.103173	1891.276572	4192.704051	2505.211994	2860.492676
PE 35:2	4278.409223	4671.842535	6968.822172	7286.918561	5164.647987	13105.02331	9907.256078	6576.421867	12587.72932	17125.95256	15838.87128	22496.73703	6183.644704	4875.926911	7547.574232	8590.858614
PE 35:4	2877.39261	1033.824102	2421.248484	4586.212982	3379.189456	3003.995062	1668.804443	2190.655172	6618.19298	3600.110856	1199.173927	3530.121936	3108.474847	1373.33631	3582.754884	1844.946256
PE 36:1	113254.8858	8627.798091	167956.2549	123325.2195	8490.37723	134836.263	106554.0257	199694.8931	186402.429	75329.64113	24621.57755	198777.9475	84448.71838	121676.1816	22982.18598	140434.5509
PE 36:2	10376.95972	6599.301785	27027.0749	14573.34176	12378.55913	10379.05393	15546.77474	18003.95413	7984.89094	9584.413659	27193.20986	11781.55609	6159.668241	8701.40054	8006.619712	10468.30757
PE 36:3	109192.8348	87714.86591	171126.9097	131785.823	93707.25512	139390.7241	110166.8125	115724.0424	226349.2801	206689.587	287779.5866	245876.2843	93403.72409	67851.80487	159052.6495	118197.5531
PE 36:5	20703.77404	8137.090043	29619.48849	22739.72766	31533.09099	42358.00407	37352.36991	66484.42734	70411.71662	26762.29597	90629.44921	24943.87423	37709.05071	44360.30046	73784.63084	56875.66662
PE 37:4	3777.934896	2230.664316	6252.83964	6311.059385	2975.547494	6418.209559	4946.810576	4350.942478	6684.434724	4848.33036	4872.097826	10451.9314	6118.742635	5439.032263	12565.68499	7273.083433
PE 38:1	5305.45036	2458.636426	6366.911064	8111.200548	2304.315738	4617.657905	8219.0357	3771.672202	11418.58535	2134.960708	5837.688588	9310.17321	2263.985804	5651.744241	4588.446787	8220.84485
PE 38:3	33278.29214	15207.42246	31869.84678	30524.61046	43446.80052	43500.01835	30615.87033	48192.56374	52558.12176	20729.42866	43289.86112	24561.13963	50111.18657	48005.76548	50888.41399	39125.39122
PE 38:4	160961.6139	108863.1963	185819.9489	147746.2918	140049.9435	137281.9159	192899.7518	162798.035	327998.0101	170159.1438	304509.0932	172150.8708	197693.9274	163782.4936	257357.6923	253448.1113
PE 40:1	3314.647166	599.808921	2214.986484	4531.914951	2273.221277	6297.60908	5500.466466	4047.57387	8270.381776	1521.864625	2377.220333	3534.958075	1187.428968	2714.525812	3684.263917	3613.950156
PE 40:2	4323.113345	2205.598046	5626.44597	3772.073033	3104.006976	3485.657864	3655.390601	7356.692339	6218.058695	2010.152622	8844.007216	10622.73399	3657.059036	4620.304573	6087.625375	5555.760907
PE 40:5	21855.51219	8193.835184	27254.58876	17530.55739	18835.31405	21315.80033	17604.76927	25696.67035	16318.50549	10120.80654	16754.31592	9670.056765	17059.46624	16649.30915	16830.30943	33258.59302
PE 40:6	12907.52163	13395.7474	17153.44269	23152.13168	23565.58375	13548.87125	24324.68517	28310.94061	40530.74754	25207.79892	35695.29171	12594.74353	13738.25281	25963.64184	39514.1367	30875.36851
PE 40:7	17943.60256	12251.86774	30605.06466	12414.29045	24475.20182	14235.61014	13762.33847	11540.19342	15244.05169	23588.84539	18449.4633	31554.96466	16068.69095	21822.40126	26827.37656	47300.37748
PG 32:1	511.1914474	774.5195726	3006.12826	5093.931244	3983.77448	5318.923604	7067.387208	6912.265412	6094.870255	980.1984487	4792.50609	3323.359345	447.7056232	1439.741928	1046.860754	2882.258961
PG 33:0	3911.288449	2836.027641	5391.422749	5171.121434	2038.1204	2631.225841	4993.032047	3820.437259	3756.031882	2581.67365	5664.032905	10327.52385	1775.323732	2159.44032	1539.223377	2679.39925
PG 34:1	180314.5374	32873.42714	200202.5456	220916.5959	153834.7539	186268.8859	240487.1554	235623.3507	184458.5414	60066.74588	219104.5743	142717.2274	75117.88793	104866.9899	129362.6389	125695.2263
PG 34:2	7390.505428	1485.863701	15612.74301	12775.90206	5805.974868	9178.921316	12896.62365	12123.04949	6704.968607	2926.395251	7317.722189	7614.556438	2789.552252	4434.939853	3825.557932	7293.4356
PG 36:0	33425.28299	28307.1082	63790.53208	40712.99284	45527.99088	42119.96397	37555.56893	62309.28579	64921.52459	25881.83384	45562.1089	47641.8253	47904.18621	54817.29509	56407.76839	58762.93303
PG 36:1	23590.54245	19061.80443	59711.25771	26450.28541	30337.05301	43935.82289	41291.87926	35092.06964	27121.51394	10638.67579	16272.69281	20859.59048	9981.376623	18506.44498	26550.55143	44726.85445
PG 36:2	60770.80989	13642.23425	65389.71593	111035.1163	32162.96833	70216.58143	82928.07269	38755.87641	67049.03987	22574.59837	69758.80454	58176.68889	39366.86729	47402.78004	49262.26137	71649.14143
PG 36:3	42614.73444	11263.38611	46377.38094	31527.43437	14278.76697	14262.26481	27284.00065	18561.523	15445.72924	7956.957666	20868.76739	9341.996149	10003.73911	16463.24704	12386.92892	18305.89302
PG 38:3	13140.94843	2070.052111	13768.64063	14420.40941	10034.93869	8666.74959	9517.693887	8343.776775	15609.05398	4286.464172	11887.75934	9386.645282	5325.952366	9177.905105	10255.58122	13166.74065
PG 38:4	3858.237145	1213.39015	7336.947444	4134.031202	4129.940758	5819.392314	7627.805162	4831.679258	6768.882643	366.4683545	7272.846945	6086.072023	2685.480431	2790.520777	3405.977529	1787.658867
PG 40:5	3445.495746	1337.245266	5930.83137	4351.975498	5576.185614	4748.129738	4300.135734	3047.510599	9577.14586	2158.388106	6145.099207	5002.400958	4706.855677	4712.637962	4426.920067	7835.980842
PI 32:1	1042.118539	376.7635346	1363.076231	5701.224337	2547.695249	4036.157631	3502.675943	3326.96046	2775.811078	1824.386066	9893.279765	1875.875339	5237.163408	5127.964095	6382.545516	6437.439612
PI 34:1	6886.163285	5025.058165	11748.91211	10334.73737	14086.70907	14927.73272	11426.67321	20551.7992	30150.08916	13077.23318	38443.86625	22450.80318	24918.94009	24014.66219	28530.42574	23898.65839
PI 34:2	4523.995066	3561.27735	7529.197196	7290.610087	8128.846997	7975.16316	4427.30432	12927.1795	16880.91792	6230.682753	35526.82721	10665.42722	10008.36354	13145.7947	15115.82319	12147.81504
PI 36:2	104838.1228	94550.84029	248860.3853	292723.9017	80381.61087	93374.05011	132665.3607	127961.3206	260711.764	194619.8663	276538.158	214670.6388	97036.79745	69831.52942	184939.0978	139207.443
PI 36:3	10338.35041	6439.324159	19527.86404	24919.52708	8671.454975	10945.10381	7989.108731	18624.90893	22086.50659	13953.23843	28134.29319	19362.07501	14660.56573	12655.13635	14787.28836	14325.16065
PI 36:4	13823.68258	10188.07202	18154.41617	21778.55542	10530.48524	12189.79344	8936.989987	19895.6538	23731.79069	14661.61941	26682.63228	25427.0665	23288.78831	24913.26838	30368.06585	23593.13234
PI 38:4	946675.8321	643012.1896	1683354.532	1651051.116	765894.548	780053.7776	1169709.384	983643.8306	1019715.105	1004704.348	992529.7043	1752932.544	627441.2729	806568.998	924610.1024	1024053.355
PI 38:5	19375.25221	17328.39795	36843.37657	37578.25324	17668.35292	17276.20165	22110.62426	28620.36007	30743.51546	34658.16184	39441.86582	55571.35544	23532.1714	22904.95408	31328.79173	34900.66958
PI 40:5	7775.945602	7650.823446	11120.99103	16351.82274	3533.83985	8681.443872	8104.852751	12048.5364	11178.32903	8186.181613	9099.427994	12991.34821	11353.3492	8816.362291	10040.91583	9484.371818
PS 32:1	10193.66748	1460.660863	10847.96903	9436.899842	6896.978248	11713.65287	7187.272871	10152.53707	20039.78235	6056.945146	26571.40457	5150.092446	14026.59612	17165.21493	16797.10578	16589.42035
PS 34:1	75620.76061	25833.38159	119418.305	122025.6807	43641.82838	56838.5637	49272.49915	70491.26268	89343.52476	36702.57983	105740.9739	65746.6856	59762.38858	77814.22024	93828.0884	92324.28595
PS 34:2	41750.26031	15100.38531	46960.11979	47299.33624	16881.46237	19918.32984	17353.99652	25917.20673	34054.11642	21629.17411	45621.91837	35616.47208	22902.75887	32363.12805	35779.89217	29137.06501
PS 36:1	154350.834	87091.34143	164629.6028	150956.1816	107991.1993	118894.7695	108493.7215	172694.2605	175795.5903	108501.4379	158210.5685	224635.6576	92416.24546	114096.1744	148290.6891	191756.7247
PS 36:2	151366.3327	53079.96784	275905.3293	228495.996	68058.09927	92766.35005	95654.33161	111010.0794	130472.0784	122882.5392	162114.296	202896.4693	75415.59417	95185.48406	122227.7785	142137.4237
PS 36:3	18899.85952	10310.65939	39582.3223	37275.63845	8939.13877	12730.97602	8119.095159	19011.43002	24607.73295	20971.33179	46528.94114	32126.65926	12389.22328	18349.82654	13445.98655	19135.11857
PS 36:4	8151.059117	2135.319535	8934.2048	6326.563889	2562.026029	2772.590314	4133.217676	5628.264651	4633.951044	2654.714143	6051.901471	3420.180245	4622.566089	6607.633823	4576.930875	7395.49693
PS 38:3	30734.6298	11632.33811	27210.65955	21259.31567	14661.62317	13878.27777	15756.71297	25161.19484	26470.81402	12357.25049	31430.0986	27156.58816	15188.09642	20058.31839	22949.80887	21718.89618
PS 38:4	42483.36509	14910.48604	52487.15331	43730.84385	13781.70099	18210.48917	24464.34549	27449.13723	30699.84808	20424.00158	31142.23434	46763.13131	24209.96965	34199.84007	48022.60194	45936.04709
PS 38:5	3892.709812	3118.765023	9496.589772	7496.638203	4386.21499	7276.324286	3910.971337	10802.07048	5657.157825	5055.948191	15122.00209	10237.95703	7319.739748	6963.099702	8296.119523	11073.62064
PS 38:6	3932.610917	1436.884832	2341.986398	6181.134174	828.7989032	3989.470512	1903.456248	4621.035674	5149.167085	1704.610342	3085.69244	3401.91417	2980.350079	6146.109792	3945.312416	6609.503822
PS 40:2	3759.078051	1808.151912	5176.29822	6466.924318	2535.729537	3908.378836	6313.180019	4375.619157	3800.464238	5512.917183	3192.902914	9004.54335	3164.58309	5563.293552	3518.254544	5920.558992
PS 40:4	11684.89139	6075.781814	14041.35008	6396.871812	9236.717653	10470.52632	9518.871603	18370.1826	13513.02211	6267.459762	16054.17233	15506.58844	9764.189822	17027.73077	11952.69818	16446.56092
PS 40:5	12851.12721	6138.174156	20345.55644	20499.03048	11392.98791	11967.23132	11524.97533	21523.04789	20049.63769	6371.691185	20261.6731	18347.79951	10492.47874	15162.89764	14764.72808	14264.63976
PS 40:6	7256.202395	3366.784223	16655.96308	14182.12177	9682.200679	8929.713768	9309.115848	10343.67437	18675.3586	8610.965043	12853.21442	14875.25887	11717.95983	19307.46611	20836.82207	23709.23186
lysoPE 18:0	11353.58268	11344.54159	9411.149082	7793.561358	6400.914424	2511.361671	26558.61203	5848.901119	22529.44429	5976.49929	10417.4481	34935.53619	12170.81278	4917.746739	12547.33368	17680.79221
lysoPE 18:1	11387.35166	6666.598035	10176.60791	10091.00193	7845.448872	5624.786923	13954.58728	4569.866677	21936.2971	11066.7373	27561.54267	20853.49854	26856.69577	8350.167313	17406.37391	20147.84575
lysoPE 18:2	14438.2039	4790.49288	5882.574304	11458.31825	11467.9942	7050.871092	9481.600713	3228.861179	18199.51795	19193.86969	29990.04624	30288.64314	27352.9321	9160.006178	12323.04725	19821.03537
lysoPE 20:4	16694.46911	9458.903929	11101.34228	21801.5306	9867.348888	6754.873689	12389.3637	4874.699214	17305.29655	18874.14382	16825.79231	21277.71136	46053.2735	15669.5651	16045.08079	29250.57508
lysoPE 22:5	2502.027297	1915.340517	846.9892887	3277.830661	1520.577921	1604.116741	1346.620447	1349.676149	1177.312781	1659.933762	4449.421103	3329.755914	4059.59909	1150.068792	1772.797173	5176.920713
plasmenyl-PE 33:1	1096.683736	2558.54938	4008.159581	1470.427189	2427.598209	3502.723989	1857.563608	4431.080537	7680.735515	3767.098999	9918.766249	10520.50915	3666.311876	3235.406956	4762.545217	4586.002242
plasmenyl-PE 34:2	204012.0837	71518.23673	241419.567	235100.3134	133573.103	174907.1423	124615.2317	182971.0536	272986.6884	231129.9828	356509.4331	391940.6651	147975.79	193053.002	214210.963	234536.3655
plasmenyl-PE 34:3	16222.16988	5533.943645	20309.88312	14197.87534	12201.72262	17422.37995	10311.7884	13094.55337	25102.10335	14650.97878	24022.8233	26276.95106	7835.342317	12057.53197	15415.1676	14880.77608
plasmenyl-PE 36:2	12250.10714	8769.320387	12408.31916	19730.31449	9993.819171	9131.938499	15210.6618	14321.20217	22263.37728	18471.72553	18329.43586	18675.24061	17316.30951	13959.39979	25735.52426	14267.03746
plasmenyl-PE 36:3	201395.9877	113505.2401	279742.0421	243334.417	154778.5479	176766.0804	147836.471	174271.1984	253941.9659	259712.8482	271013.2135	267450.2586	209854.8664	212358.3938	292607.6189	241563.0272
plasmenyl-PE 38:1	6718.931868	4214.842957	14665.31378	5518.499872	6820.873005	8205.431239	7536.998636	4507.88736	9451.713	7213.850951	5235.550318	8900.266096	6617.465628	8383.592338	8163.541305	12685.39778
plasmenyl-PE 38:2	20894.96236	6547.238634	27207.75929	16443.06091	15259.38385	17048.12314	19960.46588	20193.38679	25266.21227	13770.08037	35178.50273	30362.50416	17846.66977	24540.20932	21287.40098	24647.90062
plasmenyl-PE 40:5	64457.61041	23414.68861	76712.90324	93368.03027	78531.47059	75810.11181	68364.82378	114780.7331	96524.58489	40089.77924	58109.67849	88421.70907	80507.54985	93125.30551	93907.18358	111058.8921
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
CL 78:3		7.45					CL 78:3	LipidBLAST
FFA(16:0)							FA(16:0)	LipidMaps Bulk ID
FFA(18:0)				5281			LMFA01010018	LipidMaps
FFA(18:1)							FA(18:1)	LipidMaps Bulk ID
FFA(18:2)							FA(18:2)	LipidMaps Bulk ID
FFA(20:0)				10467			LMFA01010020	LipidMaps
FFA(20:1)							FA(20:1)	LipidMaps Bulk ID
FFA(20:2)							FA(20:2)	LipidMaps Bulk ID
FFA(20:4) Arachidonic acid							FA(20:4)	LipidMaps Bulk ID
FFA(22:0)				8215			LMFA01010022	LipidMaps
FFA(22:1)							FA(22:1)	LipidMaps Bulk ID
FFA(22:2)							FA(22:2)	LipidMaps Bulk ID
FFA(22:3)							FA(22:3)	LipidMaps Bulk ID
FFA(24:0)				11197			LMFA01010024	LipidMaps
FFA(24:1)							FA(24:1)	LipidMaps Bulk ID
FFA(24:2)							FA(24:2)	LipidMaps Bulk ID
FFA(24:3)				52921854			LMFA01030902	LipidMaps
PA 34:2		6.18					PA(34:2)	LipidMaps Bulk ID
PC 28:0		5.15					PC(28:0)	LipidMaps Bulk ID
PC 30:0		5.87					PC(30:0)	LipidMaps Bulk ID
PC 30:1		5.32					PC(30:1)	LipidMaps Bulk ID
PC 31:0		6.14					PC(31:0)	LipidMaps Bulk ID
PC 32:0		6.49					PC(32:0)	LipidMaps Bulk ID
PC 32:1		5.98					PC(32:1)	LipidMaps Bulk ID
PC 32:2		5.48					PC(32:2)	LipidMaps Bulk ID
PC 33:1		6.33					PC(33:1)	LipidMaps Bulk ID
PC 33:2		5.86					PC(33:2)	LipidMaps Bulk ID
PC 34:1		6.58					PC(34:1)	LipidMaps Bulk ID
PC 34:2		6.13					PC(34:2)	LipidMaps Bulk ID
PC 34:3		5.66					PC(34:3)	LipidMaps Bulk ID
PC 35:1		6.91					PC(35:1)	LipidMaps Bulk ID
PC 35:2		6.46					PC(35:2)	LipidMaps Bulk ID
PC 35:3		6.01					PC(35:3)	LipidMaps Bulk ID
PC 36:1		7.19					PC(36:1)	LipidMaps Bulk ID
PC 36:2		6.72					PC(36:2)	LipidMaps Bulk ID
PC 36:3		6.29					PC(36:3)	LipidMaps Bulk ID
PC 36:4		6.02					PC(36:4)	LipidMaps Bulk ID
PC 36:5		5.57					PC(36:5)	LipidMaps Bulk ID
PC 37:4		6.42					PC(37:4)	LipidMaps Bulk ID
PC 38:2		7.3					PC(38:2)	LipidMaps Bulk ID
PC 38:3		6.95					PC(38:3)	LipidMaps Bulk ID
PC 38:4		6.68					PC(38:4)	LipidMaps Bulk ID
PC 38:5		6.26					PC(38:5)	LipidMaps Bulk ID
PC 38:7		5.45					PC(38:7)	LipidMaps Bulk ID
PC 40:4		7.19					PC(40:4)	LipidMaps Bulk ID
PC 40:5		6.97					PC(40:5)	LipidMaps Bulk ID
PC 40:7		6.11					PC(40:7)	LipidMaps Bulk ID
PC 40:8		5.7					PC(40:8)	LipidMaps Bulk ID
PE 30:0		6.02					PE(30:0)	LipidMaps Bulk ID
PE 32:2		5.64					PE(32:2)	LipidMaps Bulk ID
PE 34:1		6.76					PE(34:1)	LipidMaps Bulk ID
PE 34:2		6.31					PE(34:2)	LipidMaps Bulk ID
PE 34:3		5.87					PE(34:3)	LipidMaps Bulk ID
PE 35:1		7.07					PE(35:1)	LipidMaps Bulk ID
PE 35:2		6.58					PE(35:2)	LipidMaps Bulk ID
PE 35:4		5.98					PE(35:4)	LipidMaps Bulk ID
PE 36:1		7.35					PE(36:1)	LipidMaps Bulk ID
PE 36:2		5.99					PE(36:2)	LipidMaps Bulk ID
PE 36:3		6.48					PE(36:3)	LipidMaps Bulk ID
PE 36:5		5.9					PE(36:5)	LipidMaps Bulk ID
PE 37:4		6.62					PE(37:4)	LipidMaps Bulk ID
PE 38:1		7.84					PE(38:1)	LipidMaps Bulk ID
PE 38:3		7.17					PE(38:3)	LipidMaps Bulk ID
PE 38:4		6.89					PE(38:4)	LipidMaps Bulk ID
PE 40:1		8.32					PE(40:1)	LipidMaps Bulk ID
PE 40:2		7.88					PE(40:2)	LipidMaps Bulk ID
PE 40:5		6.91					PE(40:5)	LipidMaps Bulk ID
PE 40:6		6.85					PE(40:6)	LipidMaps Bulk ID
PE 40:7		6.33					PE(40:7)	LipidMaps Bulk ID
PG 32:1		5.36					PG(32:1)	LipidMaps Bulk ID
PG 33:0		6.15					PG(33:0)	LipidMaps Bulk ID
PG 34:1		5.91					PG(34:1)	LipidMaps Bulk ID
PG 34:2		5.32					PG(34:2)	LipidMaps Bulk ID
PG 36:0		6.97					PG(36:0)	LipidMaps Bulk ID
PG 36:1		6.55					PG(36:1)	LipidMaps Bulk ID
PG 36:2		6.02					PG(36:2)	LipidMaps Bulk ID
PG 36:3		5.39					PG(36:3)	LipidMaps Bulk ID
PG 38:3		5.91					PG(38:3)	LipidMaps Bulk ID
PG 38:4		5.51					PG(38:4)	LipidMaps Bulk ID
PG 40:5		5.75					PG(40:5)	LipidMaps Bulk ID
PI 32:1		5.15					PI(32:1)	LipidMaps Bulk ID
PI 34:1		5.81					PI(34:1)	LipidMaps Bulk ID
PI 34:2		5.32					PI(34:2)	LipidMaps Bulk ID
PI 36:2		5.94					PI(36:2)	LipidMaps Bulk ID
PI 36:3		5.48					PI(36:3)	LipidMaps Bulk ID
PI 36:4		5.36					PI(36:4)	LipidMaps Bulk ID
PI 38:4		5.94					PI(38:4)	LipidMaps Bulk ID
PI 38:5		5.47					PI(38:5)	LipidMaps Bulk ID
PI 40:5		6.02					PI(40:5)	LipidMaps Bulk ID
PS 32:1		5.26					PS(32:1)	LipidMaps Bulk ID
PS 34:1		5.88					PS(34:1)	LipidMaps Bulk ID
PS 34:2		5.44					PS(34:2)	LipidMaps Bulk ID
PS 36:1		6.53					PS(36:1)	LipidMaps Bulk ID
PS 36:2		6.02					PS(36:2)	LipidMaps Bulk ID
PS 36:3		5.64					PS(36:3)	LipidMaps Bulk ID
PS 36:4		5.42					PS(36:4)	LipidMaps Bulk ID
PS 38:3		6.29					PS(38:3)	LipidMaps Bulk ID
PS 38:4		6.06					PS(38:4)	LipidMaps Bulk ID
PS 38:5		5.59					PS(38:5)	LipidMaps Bulk ID
PS 38:6		5.33					PS(38:6)	LipidMaps Bulk ID
PS 40:2		7.26					PS(40:2)	LipidMaps Bulk ID
PS 40:4		6.48					PS(40:4)	LipidMaps Bulk ID
PS 40:5		6.15					PS(40:5)	LipidMaps Bulk ID
PS 40:6		5.97					PS(40:6)	LipidMaps Bulk ID
lysoPE 18:0		2.4					LPE(18:0)	LipidMaps Bulk ID
lysoPE 18:1		1.78					LPE(18:1)	LipidMaps Bulk ID
lysoPE 18:2		1.29					LPE(18:2)	LipidMaps Bulk ID
lysoPE 20:4		1.28					LPE(20:4)	LipidMaps Bulk ID
lysoPE 22:5		1.49					LPE(22:5)	LipidMaps Bulk ID
plasmenyl-PE 33:1		6.83					PE(P-33:1)	LipidMaps Bulk ID
plasmenyl-PE 34:2		6.63					PE(P-34:2)	LipidMaps Bulk ID
plasmenyl-PE 34:3		6.24					PE(P-34:3)	LipidMaps Bulk ID
plasmenyl-PE 36:2		6.5					PE(P-36:2)	LipidMaps Bulk ID
plasmenyl-PE 36:3		6.78					PE(P-36:3)	LipidMaps Bulk ID
plasmenyl-PE 38:1		8.1					PE(P-38:1)	LipidMaps Bulk ID
plasmenyl-PE 38:2		7.71					PE(P-38:2)	LipidMaps Bulk ID
plasmenyl-PE 40:5		7.29					PE(P-40:5)	LipidMaps Bulk ID
METABOLITES_END
