#METABOLOMICS WORKBENCH efahy_20230425_000109 DATATRACK_ID:4007 STUDY_ID:ST002693 ANALYSIS_ID:AN004366 PROJECT_ID:PR001020
VERSION             	1
CREATED_ON             	April 25, 2023, 7:56 am
#PROJECT
PR:PROJECT_TITLE                 	Molecular Transducer of Physical Activity Consortium
PR:PROJECT_SUMMARY               	MoTrPAC is a national research consortium designed to discover and perform
PR:PROJECT_SUMMARY               	preliminary characterization of the range of molecular transducers (the
PR:PROJECT_SUMMARY               	"molecular map") that underlie the effects of physical activity in humans. The
PR:PROJECT_SUMMARY               	program's goal is to study the molecular changes that occur during and after
PR:PROJECT_SUMMARY               	exercise and ultimately to advance the understanding of how physical activity
PR:PROJECT_SUMMARY               	improves and preserves health. Preclinical and clinical studies will examine the
PR:PROJECT_SUMMARY               	systemic effects of endurance and resistance exercise across a range of ages and
PR:PROJECT_SUMMARY               	fitness levels by molecular probing of multiple tissues before and after acute
PR:PROJECT_SUMMARY               	and chronic exercise. This program is the largest targeted NIH investment of
PR:PROJECT_SUMMARY               	funds into the mechanisms of how physical activity improves health and prevents
PR:PROJECT_SUMMARY               	disease. The MoTrPAC program is supported by the NIH Common Fund and is managed
PR:PROJECT_SUMMARY               	by a trans-agency working group representing multiple NIH institutes and
PR:PROJECT_SUMMARY               	centers, led by the NIH Office of Strategic Coordination, National Institute of
PR:PROJECT_SUMMARY               	Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes
PR:PROJECT_SUMMARY               	and Digestive and Kidney Diseases, National Institute on Aging, and National
PR:PROJECT_SUMMARY               	Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee:
PR:PROJECT_SUMMARY               	Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion
PR:PROJECT_SUMMARY               	Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac
PR:PROJECT_SUMMARY               	Bioinformatics / Data Coordination Center.
PR:INSTITUTE                     	MoTrPAC
PR:LAST_NAME                     	Ashley
PR:FIRST_NAME                    	Euan A.
PR:ADDRESS                       	300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA
PR:EMAIL                         	euan@stanford.edu
PR:PHONE                         	(650) 498-4900
#STUDY
ST:STUDY_TITLE                   	MoTrPAC: Endurance exercise training study in young adult rats, Rat White
ST:STUDY_TITLE                   	Adipose Powder - Untargeted Reversed-Phase Negative
ST:STUDY_SUMMARY                 	The goal of the endurance exercise training study in young adult rats (internal
ST:STUDY_SUMMARY                 	code: PASS1B-06) was to perform exercise training studies in adult (6 month)
ST:STUDY_SUMMARY                 	F344 rats, and from these rats collect as many tissues as feasible in order to
ST:STUDY_SUMMARY                 	provide high quality samples for detailed analysis by chemical analysis sites.
ST:STUDY_SUMMARY                 	Tissues were collected from 10-12 rats sedentary control rats concurrent with
ST:STUDY_SUMMARY                 	the collection of the 8-week training groups. The 8-week training group and
ST:STUDY_SUMMARY                 	controls were from the same cohort and same age at euthanasia (either 8). For
ST:STUDY_SUMMARY                 	the older age group, an additional set of controls (n=5-6) were collected with
ST:STUDY_SUMMARY                 	the 1-2 week training group. Rats were either sedentary or underwent an exercise
ST:STUDY_SUMMARY                 	training program. Rats were exercised on the rodent treadmill 5 days per week
ST:STUDY_SUMMARY                 	using a progressive training protocol designed to exercise the rats at
ST:STUDY_SUMMARY                 	approximately 70% of VO2max as outlined in the Table on the next page. Training
ST:STUDY_SUMMARY                 	was performed no earlier than 10:00 am and no later than 5:00 pm over 5
ST:STUDY_SUMMARY                 	consecutive days per week. Training was initiated with the treadmill set at 70%
ST:STUDY_SUMMARY                 	of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of
ST:STUDY_SUMMARY                 	exercise was increased by one minute each day until day 31 of training (start of
ST:STUDY_SUMMARY                 	week 7), when a duration of 50 min was reached. Speed and grade of each training
ST:STUDY_SUMMARY                 	session increased in larger increments due to treadmill parameters. The highest
ST:STUDY_SUMMARY                 	intensity and duration of training began on day 31. This intensity was
ST:STUDY_SUMMARY                 	maintained for the final 10 days of the protocol to ensure steady state had been
ST:STUDY_SUMMARY                 	achieved. If any rats were unable to perform at least 4 days of training per
ST:STUDY_SUMMARY                 	week they were removed from the study and euthanized. It is important to note
ST:STUDY_SUMMARY                 	that the starting treadmill speed varied depending on the sex and age of the
ST:STUDY_SUMMARY                 	rat. The initial and maximum speeds were based on VO2max measurements obtained
ST:STUDY_SUMMARY                 	during the pre-training testing of the compliant rats. Rats assigned to the
ST:STUDY_SUMMARY                 	control group followed a schedule similar to the training group. They were
ST:STUDY_SUMMARY                 	placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The
ST:STUDY_SUMMARY                 	treadmill was set at 0 m/min at an incline that corresponded to the incline
ST:STUDY_SUMMARY                 	being used by the training group.
ST:INSTITUTE                     	University of Michigan
ST:DEPARTMENT                    	Biomedical Research Core Facilities
ST:LABORATORY                    	Metabolomics core
ST:LAST_NAME                     	Burant
ST:FIRST_NAME                    	Charles
ST:ADDRESS                       	6120 Brehm Tower,1000 Wall St., Ann Arbor, MI, 48105-5714
ST:EMAIL                         	burantc@med.umich.edu
ST:PHONE                         	(734) 232-0842
ST:SUBMIT_DATE                   	2019-09-19
ST:NUM_GROUPS                    	65
ST:TOTAL_SUBJECTS                	50
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Rattus norvegicus
SU:TAXONOMY_ID                   	10116
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SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564017008	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=20191106-EX00979-A003-IN0028-S00042372-90564017008-N.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567017008	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=20191106-EX00979-A003-IN0028-S00042373-90567017008-N.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571017008	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=20191106-EX00979-A003-IN0028-S00042374-90571017008-N.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576017008	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=20191106-EX00979-A003-IN0028-S00042375-90576017008-N.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578017008	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=20191106-EX00979-A003-IN0028-S00042376-90578017008-N.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581017008	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=20191106-EX00979-A003-IN0028-S00042377-90581017008-N.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585017008	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=20191106-EX00979-A003-IN0028-S00042378-90585017008-N.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587017008	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=20191106-EX00979-A003-IN0028-S00042379-90587017008-N.zip
#COLLECTION
CO:SAMPLE_TYPE                   	White adipose
#TREATMENT
TR:TREATMENT_SUMMARY             	-
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	See SOP
SP:SAMPLEPREP_PROTOCOL_FILENAME  	MiCAS_SOP002_Sample Preparation and Extraction_v3_20190904.pdf
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290 Infinity II
CH:COLUMN_NAME                   	Waters Acquity HSS T3 (100 x 2.1mm, 1.8um)
CH:METHODS_FILENAME              	M004_A1B1_0p45mLmin_20min_MS1_neg_WBsensON.m
CH:SOLVENT_A                     	100% water; 0.1% formic acid
CH:SOLVENT_B                     	100% methanol; 0.025% formic acid
CH:FLOW_GRADIENT                 	Linear ramp from 0% to 100% B from 0-10 minutes, hold 100% B until 17 minutes,
CH:FLOW_GRADIENT                 	linear return to 0% B from 17 to 17.1 minutes, hold 0% B until 20 minutes
CH:FLOW_RATE                     	0.45 ml/min
CH:COLUMN_TEMPERATURE            	55C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_TYPE               	QTOF
MS:INSTRUMENT_NAME               	Agilent 6545 QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	See SOP protocol MiCAS_SOP004_Data post-processing and QC_v2_20190904.pdf
MS:MS_RESULTS_FILE               	ST002693_AN004366_results.txt	UNITS:peak area	Has m/z:Yes	Has RT:Yes	RT units:Minutes
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	peak area
MS_METABOLITE_DATA_START
Samples	CS00000MP-01	CS00000SB-02	CS00000SB-03	CS00000PB-01	CS00000PB-02	CSMR80012-01	CSMR80012-02	CSMR80013-01	CSMR80013-02	CS0UMRA01-01	CS0UMRA01-02	CS00000MP-02	CS000QCMP-01	90280017008	90559017008	90585017008	90232017008	90245017008	90423017008	90227017008	90439017008	90567017008	CS00000MP-03	90254017008	90292017008	90289017008	90441017008	90223017008	90416017008	90237017008	90229017008	90222017008	CS00000MP-04	CS000QCMP-02	90430017008	90420017008	90571017008	90265017008	90258017008	90259017008	90412017008	90239017008	90217017008	CS00000MP-05	90444017008	90225017008	90587017008	90581017008	90422017008	90281017008	90267017008	90450017008	90252017008	CS00000MP-06	CS000QCMP-03	90406017008	90449017008	90266017008	90578017008	90251017008	90576017008	90560017008	90248017008	90564017008	CS00000MP-07	90421017008	90426017008	90218017008	90283017008	90410017008	CS000QCMP-04	CS00000MP-08	CS00000PB-03	CS00000PB-04	CS00000SB-04	CS00000SB-05	CSMR80012-03	CSMR80012-04	CSMR80013-03	CSMR80013-04	CS0UMRA01-03	CS0UMRA01-04	CS00000MP-09
lactate	416766.962297871	nan	nan	6653	6805	800330.97036376	818474.831500236	524090.661766132	548903.929461151	761471.696146894	789037.406339659	411459.097188423	407632.790711213	310409.075412372	467243.872933041	566935.788381514	277901.070069092	427588.712447962	455673.441982554	460486.932413928	488849.225401792	295411.936441518	408459.477616507	358860.385355521	179216.426524765	194587.556785111	260806.275571361	275413.0716838	341662.412165603	215176.796079493	408513.790547777	374635.220598137	399157.264351796	392860.920911803	228441.064758274	306769.869729972	387870.282613662	311838.920728164	411697.114370923	349948.598975812	328653.899537089	244663.948036438	313025.041146846	399923.903065788	204796.273831875	298099.428846326	373116.376759867	371390.950368407	440385.635970212	327074.604376296	428949.012635859	234875.237724095	287058.039069363	400661.898880807	391440.608388131	444357.634890596	387370.491437754	384180.441735034	331540.360749776	384502.551049598	423881.286869835	539336.281471304	300200.111787551	429692.786724582	385050.108124836	235323.471720721	299436.946411679	298662.364266891	251808.607001061	250617.328956108	393668.193252579	394607.020815373	5809	6534	nan	nan	812186.2452456	778943.249575393	516464.339606625	562305.082445291	727766.4517231	718456.340380012	394400.102223736
2-hydroxybutyrate	66033.7047203455	nan	nan	nan	nan	8867.33137650313	8493.74422838407	99764.6769829831	102041.480634693	34821.8892673192	32318.2779297375	64762.1406701543	66698.1629645186	28421.1621783203	80262.0971724933	127144.622799151	52775.3400052905	97044.0391299916	32270.0412223421	6946.16057173175	93356.6558278814	81903.9562703355	66115.6984053931	5279.93180232196	43025.6314989598	34081.9255992001	50193.3538080738	48877.7301700697	61548.7885658791	36060.2680167046	68743.1858197449	57533.2169482676	68733.3897119056	63697.8454349832	33525.0067630927	53042.3957053567	101835.710156812	22238.0905656092	32950.9761809124	38711.1009447191	26029.923667618	28088.3663733408	89415.8487674598	67990.7962641166	50011.5247756331	49910.7074035976	111721.797225415	117247.385314312	61995.1231944933	29626.4949532446	70962.3987225392	50243.6459371764	75957.51508046	67657.8322409376	65819.082480017	93219.5013335579	36700.9798631206	72304.6561423051	91464.3987174897	81561.706371765	83520.3421289319	65991.417434376	73001.9944001547	112492.987408157	63036.2863356377	62916.6842150411	50078.5051641187	78052.1250826822	73378.4529007214	85251.3554149513	59338.3394795968	64752.0442679734	nan	nan	nan	nan	90367.1196361994	84448.7325615414	6246.62929149375	91757.2540196202	34602.4890495705	34241.0421269473	62664.4340796704
3-hydroxybutyrate	22581.5415498554	nan	nan	nan	nan	23750.9251969293	24075.6546574645	12238.9979554968	12365.9780406731	15300.2721437829	14589.2905900409	22991.8792986056	21864.2621313709	11072.1116483102	38116.3755530668	48139.7856069437	11475.3408016673	51632.1672173693	14418.8935778289	15404.2759975432	17401.9913323822	26670.7793486092	22749.2220227036	44381.8817272883	8939.73155745391	8763.28256119607	10848.6942749274	18928.6150904179	21986.0314062225	6182.67432792343	16548.085760044	16870.3239205172	22988.7997306397	22641.4941358118	8142.95558607166	19048.6124105261	29932.2944427521	6798.74241908214	19524.1849254287	14355.8041781409	9579.91742675267	4992.18527093205	12445.0230564348	21412.9999105124	13789.0953432716	18277.6661277094	47957.2071015249	45469.2075145488	12465.8158817669	15586.5946958425	21787.2938576853	14679.0189683849	25631.3073660335	21518.9048152277	22002.6050755847	33208.8871147093	11653.6898786811	27722.6414134532	38849.4863165501	33748.4688500337	51228.1784018018	16321.4330953649	27671.4266317142	40226.3105071885	22814.6982989485	9779.47274632861	8873.56920105447	13292.4935574532	18725.2020994556	27035.4664509204	23231.7161301548	20405.1935435731	nan	nan	nan	nan	24768.2353478268	23796.2491324309	13299.6667064698	13216.0132262283	13173.1209684352	13861.3018609799	22821.0716730921
serine	20383.0588209968	916	834	998	1952	27479.7886930409	25043.6807328237	46140.6012200187	48369.5964750952	24064.0439356914	24351.0257116618	20436.5708765546	20778.1402915139	54092.9718943938	20281.3401667296	17648.5082243948	25673.5790439815	13699.6610236755	23541.8469104738	18908.0880014654	25432.549696982	17410.8354827758	20905.3091524004	12677.8553517672	21823.6075379646	23806.0045417384	46771.620982749	16232.0192921413	24354.3756733842	35807.4838344787	25124.9744971184	18380.2441686688	20713.1395419859	20314.4640366781	39084.8240532336	15952.8687417517	21995.360051482	11531.999093349	25222.7370824281	14965.8356029329	17423.7290604697	20777.2479495499	26294.4666378168	19322.6165302371	68324.47048226	25098.5160751222	15061.0868119855	16775.3305391681	36101.6374718819	27007.7543781099	22492.8973943254	24921.7141019865	25750.1774994439	21688.2126596464	20374.9446750249	14779.05332508	18250.1201298099	17390.4523936766	22739.7989868507	20451.5170412511	15966.3376845827	21229.5537496884	28497.6545929044	22959.2881255142	19075.3323623211	30124.3934118081	32359.3735951555	18843.2046926009	19701.2223030977	12508.3588462626	20544.698659774	22002.1845534805	765	235	nan	nan	28037.3819592527	27477.9119915228	48238.2952062444	51908.5478293342	25657.3407656424	24852.399595918	21802.141714919
maleate	84797.7963566299	nan	nan	nan	nan	186331.189273625	174230.845642006	197067.364979168	187048.500591729	156429.28067313	152105.490696611	83412.429798768	84659.456368629	60783.4120345031	162162.262088396	130472.871139204	85241.754662113	63869.2774803841	155662.939229219	73351.600945065	56915.4152899589	124820.38644894	95238.4538688873	148747.098372903	52761.2116896747	98316.6481877226	87066.8445118397	64745.761395336	65985.9683817364	62768.0305688335	88329.7052637341	74396.3605533364	75411.2739811055	75527.2131669618	61417.904537124	123738.701685641	75402.9831071996	89159.3935084829	88459.6027930908	77024.8328863875	89237.8850176729	44493.3952533985	127029.631769361	75361.6463433478	57917.4025714676	71722.0571387101	110580.726077444	190445.097842539	62329.9999174611	40437.536842612	164570.803184493	138995.387221927	160931.630087719	66565.9688455216	75509.3519232939	94234.7730184427	119489.586806732	117512.018813427	90012.0742666172	93950.7760802353	176188.006530175	189013.943474524	77938.2589943365	112903.300864101	80187.1390636264	73122.8095634669	81359.4166732035	56465.9731316683	32588.9620303843	77370.875452817	74528.7322636967	75028.053778654	nan	nan	nan	nan	159166.633225392	154962.266959786	201516.867891931	167249.627891062	115726.478777036	109361.028372615	75576.3541776015
succinate	61345.8588037589	nan	nan	nan	nan	148554.194254346	151652.682493049	102317.156788504	101308.289825387	96939.0869106672	101948.765570973	61941.6191685502	63836.6804773749	34073.477403912	14416.7989261833	21742.0227168289	88389.3650386336	26787.3821718677	103835.354135207	219971.040853848	43175.9222937918	17780.9218919641	63659.0028960769	30612.1221100712	55625.058477713	34558.6415541228	126230.183591966	121654.832884651	16664.7009992267	63909.1794272806	98130.332549265	152715.113149409	67108.0927396976	62920.0178939938	11617.2412594079	19036.4846383264	19063.3001371695	11911.1593405238	21508.6285624538	14612.0744548753	14942.6149514391	32519.1344739867	99861.5675848905	61296.4507529601	54702.1670859743	225674.528353425	16519.9898162999	23729.8041969768	93843.4551103885	132417.7056914	26213.0933168708	114631.470612175	15029.8101836306	61885.7266631383	66154.0133390191	18682.8628182299	70896.7455365851	20796.636348151	18059.2077812925	23606.6838182051	23926.5066937332	28323.8185552207	12126.9464427654	18798.5945621021	64075.4028673584	108636.689742574	19226.0321768179	63126.8133345828	76618.4598328325	16180.9958649012	65403.7281895069	64312.2402484905	nan	nan	nan	nan	163750.441174639	152930.927277893	101633.526886506	98628.6836562761	97924.0003082299	100773.986191358	62698.2810184931
threonine	6770.91472868217	nan	nan	nan	nan	13601.3152360155	14291.6451543772	13353.9905149216	12685.0281203212	12318.5057817869	11019.6662744506	7066.7523922734	7882.48510877193	3469.29467351898	4084.40921904762	7195.43864216973	6003.38717018026	5748.18648111805	6054.40619196565	9955.50677457287	7347.35438832772	4236.77484144688	8194.91288011424	7141.02756756757	5264.29066529844	2492.54730317118	7432.4816272492	10557.3469832542	6379.49356956275	3942.43277309401	4502.84317678265	12372.9778753879	7471.03936116815	8121.67840713523	4259.3702605937	4488.39551700806	6464.50214689266	3602.4989869754	3917.86582401749	4928.96693229443	4067.08365491947	3571.77619688081	6635.29758198727	8046.0103358396	4439.99551605226	9485.44448735632	5008.86162429931	3330.37428458721	5794.93219245841	7109.08204512523	5889.68366013072	6289.43966470628	3099.37228814783	7519.63703703704	5224.48441799367	6974.01239519203	5021.99225232736	3840.59266842711	4871.67899660843	3350.05746254682	5231.07316133471	3774.40612424179	1882.45843522562	3823.33210752346	6586.75233646104	3563.43077184054	3796.15535901094	4194.40547261839	8358.20492480245	3485.56712858688	8379.5990960452	7238.08920697339	nan	nan	nan	nan	10728.5393744038	12636.8334467757	14140.5510960299	14680.7781865438	13766.9358500768	14931.0845598354	7966.73298514301
taurine	4115132.34122702	107021	98621	90098	95261	5313217.04143864	5399382.39343008	5971032.02880106	5952627.53968271	3570533.12806742	3617800.25126907	4270961.10508655	4221876.11078887	6485406.39465817	3779344.22100297	4407795.12955931	5892225.23386244	4110185.57173725	5156787.32010428	5007101.01029253	4457054.87208214	3975041.45815557	4254463.59099799	3634170.41526522	3910545.57201446	4150670.00774315	6385231.54849087	4123100.85042627	4474343.55783083	5339545.72643805	5193356.76683179	4598164.1589824	4187147.58380217	4203325.13333309	4936399.65583846	4160048.60209185	3609221.34894585	2832030.85294806	5119797.93568941	2957971.76769601	3609381.84697909	4533126.0338761	4746588.34580328	4165099.14011993	6771394.27205191	5886111.71675734	3433019.08069972	4347200.75086635	5875932.84051714	4831497.97928718	5075566.3428931	5551918.12505261	4998401.40744424	4209187.05045695	4143443.98616565	3863530.47983279	4567693.67107943	4315027.39964734	4385290.27661056	4446446.9358635	3974903.90684576	4795019.30729221	4389724.55437543	4764487.54101631	4171504.06251385	5844240.95416022	4077110.92123414	3898532.05464629	3948575.56840213	3375606.59246227	4163760.1216547	4195404.34806962	7603	6860	7152	7650	5628626.97884723	5458785.24819637	5949307.95019634	6054354.52598724	3544263.60086368	3545501.61556381	4143310.06463171
3-methyl-2-oxovalerate	12919.8132356843	nan	nan	nan	nan	32790.0434994416	35483.0527861194	11680.2077726371	11424.5887312894	2856.34078400876	3008.786101778	12674.1450785804	12559.9454717907	6695.68591132881	9335.52605157363	14865.7977353532	13601.7917094049	18942.7321403301	14801.7681530594	30382.3552168424	16538.7529054584	6938.33407111789	12677.0090007152	12507.7706687568	6883.9786324963	5568.71818282338	11186.6750880798	24129.8429628865	10955.6856284057	9368.93532251352	22814.1702464172	26332.2307838055	12623.5843771044	11087.6900001157	4108.27161334715	6204.46845259243	10790.4371925532	3726.39717547643	10300.2846536641	10260.2839602562	5898.787019097	8372.34853437768	11874.9124179428	13502.1341392075	9023.8894645428	31729.4385940246	14085.071128892	12983.3857351829	16297.1647138271	21144.711944566	10310.8378570249	10908.9508018227	9761.78709626058	12722.2108859839	12689.8198265186	16797.1134478523	15701.0656685086	5894.76371498057	10301.6660810784	14867.1263351785	11696.99539233	5334.66022477611	6867.95494011822	13041.248825213	11817.9995059876	11060.6309706999	7869.36835016835	10270.4928743071	16673.2353889437	6461.16537056196	11273.7232222128	13425.0328980276	nan	nan	nan	nan	34598.0003920669	35570.3375108589	11541.8496659637	11993.4900205492	2445.53166924188	3065.35760495097	12924.5653838329
ketoleucine	21662.7289242459	nan	nan	nan	nan	59460.3831032869	57163.9349938765	15656.5726874629	15048.6148683434	5073.51043620174	4655.95619279299	20635.9526356031	18009.3969852035	10920.5289080045	12626.7056322371	21388.6161957141	20514.2269628099	26495.6268252395	24333.4333293683	68386.7123121303	21766.8982468465	8330.53992083643	20529.8872969002	18973.5880886022	12126.2729250724	7013.24201334639	21090.1006223237	41971.3312822502	16618.7037708086	14941.1552798501	33419.9268954179	51664.4821718403	20357.9304320127	18522.5462701985	7291.36250397547	9417.0390013587	16837.1137607367	8445.33889686273	15964.0668445337	14198.3531592417	11438.8144987551	16314.2935858501	15377.3006396334	19280.6225241974	11797.7866186104	58644.948762202	18575.8395364551	16989.1145362588	21785.7949808921	33215.7317737532	18314.1074408361	16867.4971532988	11925.0948546412	19964.2132540315	20564.3250697642	20963.7502342849	26192.2553518524	13434.0390452125	14174.0920353982	20789.1466796781	15783.8456469649	9212.37600771603	11361.1132876792	17502.0326632522	18972.707872742	23008.459010325	10764.1340122478	22359.9277666342	26506.8236480578	9562.75115371431	19935.5157841894	18223.4202826579	nan	nan	nan	nan	56978.4975763429	55877.6291301044	16198.3523856076	15922.1328487536	5926.03217937554	5752.54263039476	20539.7833351583
glutarate	12724.3310820875	nan	nan	nan	nan	1739.69490647899	3019.69484772442	nan	2937.92266616524	21830.9454203852	19720.3344575854	17621.3573506977	17952.9567281144	nan	8507.25851020454	17181.0675012201	19683.6409288819	24013.5219196672	11735.7804587836	25032.1056079021	16567.7494367489	18138.5503921349	16552.8713644887	35580.968608072	17301.9099024841	1929.76280076297	9132.71139388999	28756.2086509275	7226.70527423656	6674.21648763245	18480.6011878256	40788.5524536891	17167.4588319156	20486.6717924825	1551.66805367905	14031.4734059973	12084.794004466	10973.0223552513	2589.02504549839	9464.12104219119	5033.36445905815	7868.63620698146	19701.5806720726	16502.9806788132	12629.4942239641	50832.0007274794	32891.5551119346	19153.0253786518	5829.62427593927	11940.6637480609	22017.1564235678	12819.3409544012	4211.96334960223	14561.9777215961	14978.7558678104	3391.00257640394	17956.8882132674	21118.1177470766	9538.85027051026	9018.06962784888	22908.3121256039	8210.33893088753	7990.78444960806	16265.596830374	15561.6708952323	9889.07273205882	8003.48642350602	35681.0884110971	39515.5438131538	24220.9338458017	16635.9688243262	15770.0428219768	nan	nan	nan	nan	4321.40302998463	4278.28147477438	2476.6587525729	2382.46423261359	21978.7143647037	21470.3392449351	17133.2368244924
aspartate	59283.7896158297	nan	nan	nan	nan	31821.3415487748	33711.1673100591	49410.4246764962	51800.1136048694	101122.845933702	105341.910779512	61105.3643358779	57732.1086683107	36215.6115338168	32998.7757004505	37538.8013422788	105220.569951791	74277.8329628581	99730.4906352785	120952.019130213	47864.115273819	54844.9299684011	58533.3034769624	77064.766107469	55381.8958266294	51167.8619969481	82523.2742043962	89310.9147080504	44038.5064764791	58326.8088826822	62349.2364340263	77560.4226850643	60507.653524786	58624.7942393049	26743.2781474822	56260.3684723732	35933.1046722795	23866.379434811	42348.37919147	37239.5403036251	35722.0718841989	48310.9825700878	64175.242579683	62130.0657600593	88447.7170630495	137798.738142903	41122.9795791827	72998.6441927287	63971.9158264352	86814.4107274989	80758.7835056586	135738.499641377	36907.6621532272	60519.7323628472	58590.4644835501	37027.0992648345	77586.7862898411	57371.7311303762	40730.0224934016	47517.6306905773	45931.9532622804	69790.1341878498	30287.6052288344	42094.7336793854	59489.0554850364	78016.4293035564	37994.3261975748	61011.3175382466	54410.7420692125	33340.759896675	55874.4259405332	60326.5106750831	nan	nan	nan	nan	30663.1478370908	29478.6311996183	45573.6450225541	48577.4083604986	98724.4345123771	100057.355606463	58719.1191745631
malate	24601.4945320688	nan	nan	nan	nan	29334.0411803572	25860.4289378625	13106.5798523015	11368.575030171	44111.3751546392	39156.0497289687	26411.0947994056	23002.4475724696	11585.4259639058	12172.814984127	33110.0218232721	49202.3692807822	35721.2441653286	53297.2023403864	65810.9868880127	13161.5183479237	22815.9303048594	28218.0046737443	56603.2173085586	16295.7979864318	11031.915322221	41920.4579021484	68931.296549196	19488.6535014196	18910.0581416009	48276.5480626203	65066.2114808626	27217.779566507	23291.9466666667	5532.03525946068	21256.7488909393	25790.8961988701	15194.7508441872	20417.3406389427	18060.8484977274	14570.0021984798	17064.8752191539	27803.4787371512	24847.2970526316	19477.266781291	116685.959711877	23919.3353356798	31561.2768441815	37649.1043874863	43876.7047484993	48223.0567320261	59602.0651064693	17437.8569962947	22710.3362962963	23592.6027258592	29303.1433245383	35777.7505071558	34493.182444309	23665.3153644334	28249.0503089888	25443.2668180255	42777.8206846545	12009.91	22265.7228354806	24246.3631277035	42645.8102023507	6075.50991155492	22319.112072606	42527.2472563514	17963.5637538971	25454.8302824859	24420.822965002	nan	nan	nan	nan	20010.7607772255	23120.7106470621	16034.4542925008	16755.9201653967	42743.4055373272	44845.2999531815	27331.336396361
glutamine	212523.187051223	nan	nan	nan	nan	346948.098549666	346823.222371672	237521.188412741	249128.759383815	162331.190136435	162631.714896279	194734.672303878	193307.748865598	148678.0137289	156539.814438082	180238.971493553	229044.38261708	170712.087931946	282952.827755294	380171.32345505	248116.650780458	139257.590718127	202804.379289482	166896.706090064	194033.729085373	150146.257639101	280435.59632829	333302.289947624	150598.05846137	208455.378427352	262217.494697179	307451.04916314	204939.954082222	194754.295102154	133412.617362781	128837.492421649	162083.570390835	128892.041989264	168208.057130699	141479.595441151	124369.535389034	195764.099850319	244390.138456366	202837.986189155	186919.421085162	385826.902692431	166123.159214507	114750.243422107	233950.706466797	264592.083900674	128895.777884995	223769.581198283	124749.504028397	193269.515840774	201067.798330667	174613.558106461	205662.540631202	147254.776123573	143657.508107437	143768.711660351	147797.428321186	149228.159875122	137602.802819977	165413.710227401	187342.235337827	243929.772538738	181428.622688169	226336.036735324	264628.623463014	128799.278200872	194713.627775004	202416.632712343	nan	nan	nan	nan	334677.729420227	352859.201832736	256011.451731161	252364.9969535	169598.196544346	173742.318453671	189565.106251141
glutamate	239841.977085551	7922	6336	8209	8786	291905.211598448	295050.835442326	291223.554260951	307427.021009814	297409.000537386	296258.79146867	231500.557336427	232962.800733662	152525.861928233	182329.824161017	221224.628185528	258909.256721763	300833.639864552	255801.311277888	456887.610823048	186387.64543105	262687.754106416	219805.198834269	324454.262072567	200173.698682146	171669.86751953	273014.434616614	312997.293361785	185519.776922739	185046.056991168	217638.506364552	308522.412864268	226733.379608799	209643.619212937	111179.45208876	188810.540526268	195251.869392426	129779.120332841	165573.497537115	163321.299579099	149271.662198136	153043.699628926	275254.517854151	223967.395009398	209481.138618221	397274.522566811	241951.435451497	230322.951048182	180172.972348088	267420.280116968	253592.711625017	309214.916570648	170478.031738271	219765.237500618	225645.433436739	199083.318214924	224188.208495067	206276.40671565	207859.974370439	210715.022095431	212859.59499351	163212.611248144	133003.657181189	198861.600463508	213912.343163117	228444.920376291	136636.391196721	233227.326285972	209975.058496665	180107.134277459	210133.227216385	221521.014982543	1815	571	414	533	252178.709931733	263558.01304543	278145.593377084	274466.747318432	291309.68829643	289941.010194314	221681.996158068
histidine	29823.3408913832	nan	nan	nan	nan	56959.3863361164	54873.9262571251	42888.2330298551	46671.9013240736	44232.8756664447	43841.4400593456	30050.1817922443	29819.6919975339	29295.4566870729	18138.8138515306	31632.3403151053	34798.0937327824	20171.9796262212	44530.406988755	67867.1698517491	28081.1838729812	13573.5729491202	27880.5639437366	17291.3420215124	23259.9190227481	17363.6139604163	55788.5996785612	44614.6057032008	19651.9876896385	33898.1711499026	38103.7880319262	45002.1287370789	30227.9187626916	28307.3049239124	14808.7516349841	17207.3794714674	26113.4068632382	16937.4590397052	42868.2852834158	16668.2151325565	15219.9012805281	29467.2404394176	35249.2311031575	29339.0059940418	36581.2140481699	79551.779668747	19658.2248649857	16235.4245440774	55976.6497804352	52869.8266248768	21818.8709660993	41039.6986365189	22616.5277425309	28457.5045932804	30069.2507371496	27353.326200631	30975.5130681527	24418.7118998562	19087.5930756094	29981.0946145365	15673.1662415136	40808.2909161516	18442.4660503751	28861.3208865557	30976.9740539229	40453.8371340727	21877.2886256618	29947.1937827334	32201.0781268747	14955.4290676265	28259.9990563292	29412.0683127112	nan	nan	nan	nan	56105.3426128076	58822.3581100136	48028.4696676473	47740.9822842761	49088.2192082348	46300.6273430149	30026.428639854
FA(8:0-OH)	11847.9659850158	nan	nan	nan	nan	21476.4816484686	19409.3123093068	10572.3877794638	9588.47049044962	3227.59296391753	3334.44824055916	11451.2969588905	10572.8463978408	4139.4914178718	1911.41848042328	3299.18299679207	16389.7593547204	2957.72400356824	26576.8182618829	36065.3004855779	13140.9320314254	1570.93040108472	10464.8907332216	3962.72931306306	9823.48905079528	3955.06181350871	19670.3201877595	31619.6471682079	2887.68555139126	8408.2533877255	17467.1428720029	34192.8445993475	10563.878275154	10181.1745392877	1140.71424729964	2545.6090447192	2558.16634576271	1396.75837916064	2392.033276693	2965.62947641816	2418.89336097379	7325.18225401822	13897.9984630445	10540.4815037594	7305.24773422701	48737.7290911877	2392.27512449485	3091.15437588053	15360.3857185071	24688.933118057	4339.82640522876	19585.1214493341	1951.9236379385	12144.9881481481	8437.10212213822	3718.10758135444	19611.0132444074	2766.59878393933	2327.40607410252	3320.41093632959	2840.38358903795	3924.21314369379	611.063966521106	2193.22927098245	10877.5576442404	18725.2095771235	4207.33630052306	14165.4207964438	18329.8654974934	2298.51811923395	11523.1299435028	11313.9508926465	nan	nan	nan	nan	17416.3347251092	18420.3781089267	9527.80512611695	9955.72839978735	3298.44018924731	4312.40553309215	9813.21314745729
S-allylcysteine	38773.8769661937	nan	nan	nan	nan	8100.04896880831	6517.9331499697	4663.64765961409	4283.48302868623	5823.65875251509	6589.36173640193	38473.8586283368	40109.2199370437	13771.9240378287	82716.9748195105	83342.5782885601	34811.5572791955	68305.7824131687	34736.5434312588	53561.7262032879	112692.62931499	36037.3520513445	40884.8637701037	49617.3403482115	18460.1585856139	17855.8594175571	24246.3618586412	31554.7934598208	45779.355743578	24300.862617941	53713.1605458038	53120.7070532115	38604.9250810057	41039.4857087949	12869.1294264897	50829.933809902	68131.5328129638	50225.0191277205	49523.8483330708	92588.47546212	28690.8219000216	26383.3085230616	28672.8487092519	39846.1843529978	23166.0032280126	41751.6151006727	70752.8517376482	69030.8111600587	30414.1115430647	35481.2320504489	36771.301460713	12494.6869203991	27375.1922807018	37118.9645018011	40607.9770182365	67454.5047773228	31431.9309160736	31217.7956284153	52707.1183067211	57414.3631601438	38768.3579820688	33192.3570092081	19497.7112425295	46047.5554857292	43734.0687223218	9511.8055244556	40484.406676254	22924.2871286016	10521.0332511171	47127.0010607425	37450.5463968683	41836.0441300398	nan	nan	nan	nan	6643.03776573383	6481.89187495068	4096.74924008313	3842.23868312757	5017.94661895827	4376.22253647587	38083.538195504
phenylalanine	299028.874149075	nan	nan	nan	nan	467998.368003966	470234.660639031	396698.140904951	415470.7427102	330003.143932353	343510.789177982	306540.857234483	298772.539855813	208496.265275105	241372.43169623	278603.056714818	370923.474096441	267079.92245827	420949.338088576	818163.684304666	379246.945142826	179016.912949994	311568.178416222	255916.8586119	265822.610934721	174179.902343325	389174.737413323	594956.760463463	242328.620492609	269632.956487482	424587.922211247	623245.347085548	304482.347479665	303342.8497564	135593.152802879	197607.708152624	223224.100299308	170618.668511186	234391.736536813	229019.971344558	163616.614269652	226863.837622096	387048.907168336	305891.40457072	236500.470782187	829216.522937128	245569.260907737	217528.192118622	355735.61706921	494212.659664207	259474.565135512	400437.013185102	161166.584737839	315435.29239903	314711.677487303	301291.132132298	342933.720608931	189227.574036933	222495.617859701	229250.843425133	242588.908597684	154991.360899269	154397.103775816	234712.489064566	302824.038890637	383627.042097033	254738.411729428	382934.380541071	388859.927542626	188593.711017851	300935.972525795	311324.549220982	nan	nan	nan	nan	487366.164368264	472322.688373085	400265.687294478	430141.835452379	352899.958733451	357588.342644458	312902.392898215
phenyllactate	6036.2709707342	nan	nan	nan	nan	1530.44742635405	1359.37326304692	1352.42361432886	398.370579725637	1387.13499078264	1899.95093005841	5212.57489001692	7026.32929531855	399.803877906536	3302.85534243251	1095.03660493827	1866.72000205349	5104.01781259326	25895.0550370524	52987.3543596247	14119.18317063	1537.37387254218	6100.6893	6962.7765398956	7297.58721088435	575.294606423941	3778.76918747163	21558.1140055474	742.541122112211	2146.32137462646	1848.08682852984	3933.64938721866	5942.25755755317	5430.0054086629	3891.35792785462	1461.88984517753	1627.58841203427	1728.64626477541	1295.7688116966	1909.59389181535	1241.72820939184	15230.0341424337	5544.12813667912	4872.36208085038	1770.07701674277	2024.73902341343	3095.8688956743	1304.696580926	19414.2619144485	1778.24584365325	3202.57827931489	11914.5876842912	2075.38752750715	5261.23681757817	5335.55854763654	3315.27161100721	3437.05544489308	1643.22977029096	4225.29845859744	1046.33871934776	2817.12584375869	959.971790808241	394.549365034965	730.92933428776	5849.47063565891	13969.9173881432	14013.6691800357	1413.97883111227	1235.39402591698	1221.80531402964	4844.68735810114	4796.93089252533	nan	nan	nan	nan	953.392509763618	1519.34340242927	901.615713846829	nan	1744.93031716312	1739.81860227588	3891.14641846439
urate	458968.611764638	nan	nan	nan	nan	2215593.21569671	2231758.09700056	1331255.8977301	1395501.32603261	1145077.91436345	1148363.71281491	470518.369590229	466502.538538841	175345.022096924	174068.968013811	281093.564484495	552860.714731405	299351.449751286	725096.420592263	1527580.14321989	472934.502714338	219609.722464049	452327.114702666	281640.204853393	303111.964029803	253256.547054456	539624.787530688	837688.992046557	192236.697091404	371084.034382174	879857.333137993	1133461.54283107	460891.800020904	445188.836566464	105493.519847009	205294.069711957	242426.893157415	129787.064318008	148627.693125344	157172.512090839	127582.655427016	173591.061542534	861784.368012907	463259.502879135	266157.277343107	1929347.39198832	278238.164124705	210577.21536552	552806.527361697	816181.296881594	335323.404343564	565082.349276366	144885.020759392	460976.618235763	472345.457296515	211401.255916676	504076.208769725	212642.16054426	165538.474876572	196972.546825676	211495.832232428	201273.729163801	130362.207338568	184966.615773111	453525.688190887	766704.84585239	171672.979469588	750273.855182754	741309.534471654	162872.656805739	457656.100140189	475500.848232271	nan	nan	nan	nan	2167680.38790702	2282685.49921227	1370477.4086994	1330902.9189879	1182063.55235788	1184440.1554101	465928.19956089
FA(10:0)	8220.00187086686	7934	8342	9013	8520	5799.07823524039	5436.74082114159	8179.88240029579	8343.9213120546	8502.17631220865	9086.59928449145	5631.64080720343	8940.52881712822	7405.44208356341	9475.94010468344	8221.86888273006	7972.00373656856	8719.87285023343	7430.3789652863	4334.32802120399	6102.347947156	8367.32340695882	4482.32229202717	7074.51261929581	6841.98606971952	8029.96126099938	8004.76714879838	7370.58525226212	6887.0441971086	8677.98946684389	7435.28453250567	5868.2275992457	5661.24376663394	8591.97991979767	7555.89624376067	7814.42374391936	7212.84074769844	8217.4603738279	8017.31481544369	8952.08774070743	6748.49613673901	7731.3472390639	10036.9632322783	5136.94485638762	6305.27564329476	6870.82124718599	8753.97693500969	7941.7080415534	9872.17549248793	9397.39379054626	8005.33077168201	7024.65817752694	9836.09711024643	8424.03210335452	6822.3091774069	9235.07452052843	8422.11656976725	7138.94871072025	7634.54103219913	8304.63966845415	8716.88820995131	8744.68678568059	8667.6272778116	9866.39452178165	9557.40047701767	8533.3373326353	10402.1132547306	10185.868019246	5771.36205007603	7965.74533860021	8194.06868256832	9741.00372494308	8310	8500	7578	5067	6202.25392186021	8548.01077332387	9721.95746745263	8928.39862434304	7703.98147107123	6264.46854153851	7698.96371046152
N-acetylleucine	4356.56010562529	nan	nan	nan	nan	6199.81634973804	5721.70986033362	3854.59099471926	3350.12505582454	3294.86471809712	3188.74311232939	3711.32358233426	4222.79355334659	1774.67059243398	3904.80906053503	3832.03549391727	5683.11999739609	7016.66937600794	4052.85289561291	11830.3865714174	4452.99227341024	3305.91938421952	4703.82461479347	6655.98406605528	3545.0117729643	2235.81341043307	5001.19242323077	8228.9780676999	5506.23938572219	3159.55011217555	4869.25111890542	8602.73554566237	4076.70450906026	3205.12806514316	1363.85579193106	3561.32932364224	3948.4611708554	2291.83122930711	4151.22158819542	3616.12793214496	2363.10353391705	2611.10312148725	3550.76681394207	4654.3018770433	3479.20303618711	13884.0098981481	4399.10410184141	4799.75152727758	5770.81429066554	5771.24894947875	5601.51386750789	5882.85888248693	4155.19467074102	4392.34775039524	5210.24452551084	5908.29872011382	4620.27156418335	4456.05339952132	3253.09604347323	5777.17763542902	4174.03926573702	3327.55873999874	3386.32464689362	4549.63879307502	4823.66869902681	3627.64590399732	3681.62635590493	5500.40544053601	5809.9909298678	3627.93681269841	5031.6624326255	4509.10893879029	nan	nan	nan	nan	6993.75597919359	7142.08776255708	3597.6274671746	3929.41938447315	5268.76434396954	4552.34475533928	4622.19813488759
cis-aconitate	6534.335400912	nan	nan	nan	nan	13962.7162004662	9554.36169272904	5148.83599682648	3865.91084484159	6605.17134261984	7288.77035174259	7044.55351837705	7190.62967798085	4525.10982535091	4438.78568096026	9162.9184	9232.46214037573	11780.2879045255	5995.18674825913	14478.5202575798	4141.7841782875	5587.7953976392	6601.79560422122	14498.8674009563	5920.01604023063	3645.06955754615	5828.37784952549	10824.9469466825	5487.34388432982	5123.99019607843	10026.2986885888	11011.6037813399	8005.55652899458	8236.98711158192	1928.63964365256	5832.31622160835	8544.3240791145	5527.93479781727	7393.25457849853	6840.52825142093	3869.69787200254	4937.1991469128	11663.755299576	7202.74480168544	4482.38242473556	10809.1707337957	6652.49574217215	6069.84598576161	6389.0622074717	9460.58925549915	6364.53073482845	6569.13127539651	5413.989416677	8165.09934887629	6590.11834561835	9785.81782417915	7290.86391437309	6379.36865526352	6372.47333974095	6367.56348826066	6814.81600428208	5423.1647069547	4231.26038827765	6346.40463557665	7025.41825328584	7973.51774949766	2219.28042065168	10331.2889896028	10219.3834643949	5792.40100041684	8548.10676779463	6706.85341693929	nan	nan	nan	nan	10637.5239405053	11452.7498565691	2816.26994680851	4655.87195902689	7234.99553908448	7165.61602570539	7223.4008062805
FA(8:0-COOH)	7897.53505379045	4020	3285	4032	4307	3746.86600411788	4423.26529363251	2933.60624332781	3280.8564923672	4025.07196787149	4375.80172667377	9012.83282170784	7147.08368367744	2553.7262095153	2217.46210660139	3580.04000673741	4833.1478986457	3978.97129386136	5069.79845310788	4390.68225384974	3994.64967790262	2762.58379657859	8892.45721396904	3532.01481581312	4748.94022832186	2659.86411536328	4256.60604467322	4374.23594101939	3995.66144749755	3527.89701149425	4433.03956681285	6478.88953614403	9589.57370304468	8280.97468786808	2523.01009321205	3037.16736298265	3224.56835806059	2782.41546320237	3283.08878506238	2692.91441876275	3479.75042987043	2815.98713706407	4711.65285801438	8512.1116787732	4010.77324676547	8300.31057692308	3752.27963695706	4638.82859939888	4067.00954564603	5500.97534166054	4158.10495522713	4977.56381516588	3363.67295775292	8080.4040521035	7698.37326236064	3576.17053079984	3911.95802341301	2599.56159581112	2622.00004254753	2984.10029663044	3280.26529178036	2987.37195571593	3517.72905257473	3551.50652890837	7271.4549016953	3784.9500744559	2485.46542088147	4484.5349597082	3838.30743475713	3235.96339105573	7970.26127238615	7515.53311036789	2279	3976	2238	2230	4246.99544501662	4007.17934944793	3587.99931650168	3525.76537426504	3284.85921862012	4541.06705054383	7583.88010722108
hippurate	30992.6328145165	nan	nan	nan	nan	55812.8332291842	56280.8305330019	41144.3931937279	35165.3866085931	38778.0146219931	35028.3963352944	29970.4278454681	26094.524217004	11995.3386143978	11622.8662433862	22622.5324514436	25929.6368689276	35192.4484091585	4643.38991965655	55514.7284554195	22432.2228776655	18596.7291011678	31669.0651269634	61259.3935135135	18565.4382486745	10900.5201133915	25780.3036697358	74399.1698075481	24270.0497081204	34286.2585876167	36040.0081302335	48286.7242396753	28213.1874515172	30470.0093712706	7197.2537442405	29050.4603309344	19325.4071050847	27204.1341630487	34228.8157956973	39189.4117702615	16242.3349981396	11285.2131063099	19495.4619676946	29943.5049323308	11526.340356501	57480.2407969349	35956.9995984878	15700.8984525218	6553.52517504978	41075.4998192231	62050.8130718954	17290.6450564456	10706.9988701217	29340.9239506173	23728.4130952764	35206.791416007	42735.4792608031	40805.853547295	29543.0776783772	20112.6123033708	17246.6168558652	18490.8143847173	14924.5818195051	7532.74225544775	29168.4085552672	16016.9175233249	7000.04402853067	29941.0877668704	28780.9613730988	24545.6838226125	26668.5649717514	26198.8603801285	nan	nan	nan	nan	39203.1985298991	42712.8048901371	35059.43804547	37270.0039742454	40231.7393990783	44825.4728013052	28346.6146527914
tyrosine	324633.919052401	nan	nan	nan	nan	525849.071175559	538987.491487245	359722.704929319	382443.041794526	440758.711621704	457282.726862655	344003.549236111	340564.007665041	232035.167926335	248678.218689784	297423.314567242	392872.747933448	249884.678202434	382809.945707711	737178.700539259	356034.899117644	188463.886182946	322782.539883671	258293.01669393	274854.355858263	165560.250363052	387335.963536581	585404.935444921	238295.627575781	303356.403388216	484649.079174037	613970.525470713	316863.317756901	321214.632982106	141997.358441694	210717.515387431	220912.844080538	176435.838894269	250697.095582479	248941.85834809	186356.777380828	246784.514948368	351338.552415394	319154.379123007	263512.378415001	669500.783815327	282585.610311954	211387.417056474	350510.476949445	519877.986273205	309021.817209178	423797.880364688	191063.471007586	330664.971953903	328601.77017375	306632.464912828	332982.269309878	223946.221743737	237061.980326326	263733.152037234	197366.11075964	148927.857618185	152258.68068121	256546.530490835	322000.593459219	360561.202591743	246056.051843215	394536.881583964	392288.013661711	209443.925183228	310858.932873363	321201.883661387	nan	nan	nan	nan	525227.637556351	506324.863354191	348230.770166779	368157.596584022	444988.346746369	442540.458350344	325223.073399646
hydroxyphenyllactic acid	6064.61852971517	nan	nan	nan	nan	12790.8746890763	11447.9335121917	5241.14105704949	5752.42485998193	8166.34183826609	10543.9249931259	5461.59845357112	7282.34673985684	3600.52690969329	6857.20865845736	10829.2951459817	6901.81558587363	7043.36383918135	5011.91687927857	12776.4512402041	5513.57036366957	4098.11750267886	5632.3659826415	8241.39220246469	4268.89743572807	3040.3259319885	5868.6004795008	8674.15154789224	6109.02597119202	3884.16827207688	6464.45681324256	9990.186680027	6427.84997204952	6429.0598124104	2297.32441959573	5804.74975637035	6730.37025346964	4707.70108372749	6956.49705038309	6338.26032913669	4270.15632814801	4252.76601432642	5794.5656093932	5864.59654621757	4591.88552283423	8397.67041322733	6931.36332978879	6785.19874412266	5423.73529828826	8322.01756766226	7182.27932150416	5481.11454133744	5205.8732797233	6618.95289986934	5637.52277541083	8699.11037424777	5005.23839726402	5065.26352565683	6596.97255399392	6582.2900681541	5803.07485721071	4144.77520792494	4754.94921649761	6082.921105978	7348.62337303885	5197.45382733823	5550.15935473636	6002.53621545691	6972.0658766572	5775.84971286819	5032.09032618427	7276.87232994614	nan	nan	nan	nan	11136.0132193231	12203.8041696228	6596.44623784544	5682.62287923028	9346.42236312718	8631.34636649147	5693.21559289406
indoleacrylate	6899.58322764361	nan	nan	nan	nan	17366.2284876317	18256.6762442493	9447.75077194602	11958.6499948962	8012.17237543522	6747.18816635972	7536.9864	8278.81399670758	5613.07534114878	4668.72043282479	7185.08871059053	9924.57799284959	6907.66208435625	9150.3817016317	18553.2985955199	6469.42143136715	5677.75443903242	6348.68336815787	6494.21802513057	5895.22816374947	4166.35702496123	8477.22001774027	13146.830198145	5476.19248359962	6800.65227133313	10762.9340566909	16375.246914742	7392.77004169849	9039.12556584762	3476.12885365822	5171.5038970231	5783.73523994962	4388.20897043995	4694.30889056625	4549.48684428168	3446.59323671143	5028.67050414296	6693.29764641105	6485.15341085451	5075.0908744056	15620.8451673771	6771.96856718884	5531.10827903213	10313.2528281789	15465.8125128493	6740.8141520792	10053.6231025553	4532.57128763116	7548.03183334476	7374.30488175456	6856.18943484781	7850.63931569839	5673.79804106988	5835.05154885358	5798.88127962793	6439.06199657555	3836.5344685319	4744.81658774355	6712.07980071779	7333.94162449932	8917.293513621	4390.26197017563	9529.69752452011	10279.859325458	5233.5390715136	7515.12163450698	7174.08541457861	nan	nan	nan	nan	18077.543444438	19672.9085596489	9468.73621707789	10235.8139596834	7070.53338193524	7316.57275737387	8131.38748919526
FA(9:0-COOH)	152576.467189736	27540	27867	23095	22537	53565.5823279102	52380.3862111388	41134.6655735761	43280.7023303556	56952.7575336917	55275.366554358	143028.899012711	159630.281846765	32070.5528453391	37680.4577372726	40302.0917005693	41743.6766025753	56107.8435674639	43803.7134234753	43196.285579962	56069.6624443036	38238.758016329	157311.441738021	40084.0225013241	38323.4865200444	34326.7417541979	35315.0917558647	41737.0610353739	40318.8039442931	43833.3409992684	44118.0823546923	38525.6644601243	156713.251551865	160570.882506154	30156.6268330922	30403.510398728	43971.8765106977	34705.2844773601	43280.1512955801	37884.2288324341	43292.6589068562	42130.5443942272	71150.2892095359	160053.792425605	40164.7200737956	37559.9395989627	40913.2496646581	39382.2393702776	27402.0788763969	41318.5320057808	29784.2358117524	27483.7894785018	29867.0293932843	152325.775672661	163102.847344004	40109.7014471388	45737.3549662218	26705.1398521958	27269.2225140651	25269.9299392121	26130.0410773067	38757.3904264724	27201.5750613793	33525.2502003372	148405.079891361	44594.553723651	31557.0079746452	33536.8656604866	23731.4961909843	44896.0188308127	150337.082875259	153703.334943778	32481	24269	21390	19501	52308.2834703258	51710.5451523885	38586.2362987399	39258.1908860988	47515.1359618486	48675.6286526292	156220.220772391
FA(10:0-OH)	83980.300844649	nan	nan	nan	nan	135770.127676768	138310.482030448	92034.1027432424	99760.2324364797	13861.8615269441	14422.9957775198	79285.5705169652	75434.3396691994	47315.5085721264	6400.42106973457	9758.33378825978	162110.61164245	10235.6351426481	171776.584371333	285253.885969079	101389.408783941	11570.2251695628	78014.5256161508	20799.183975489	95208.998908848	48470.1872756122	175877.96976789	250998.971057395	14498.6664455866	108648.180505392	200700.485275885	216135.011681647	75074.0598802477	76996.9283568794	10525.5515805291	10051.1058370166	19315.9177639818	4624.79516028195	14523.6411506679	17156.803751017	13782.4883792965	107714.602277125	123433.508098823	80337.6278411451	93304.2226918516	359368.041672881	9355.85851467858	13738.3521104102	124624.138214656	171378.422836202	23266.8878707066	152743.144111387	7770.79388614467	77937.4328080293	77198.0344399893	11113.4528589259	140837.055198091	10009.1015889654	10687.9669720818	21579.0239642706	14049.9440194462	16429.155024043	6981.90213146573	13056.1846276508	73357.5706084448	163223.984649378	43383.8718974792	86462.7908578637	146972.772207223	9078.95954334453	77069.3788671633	75537.5460685536	nan	nan	nan	nan	135942.749330906	127932.875598716	85732.8411144025	96871.9713197346	15976.2640110728	12426.7146638087	78564.9798937185
kynurenate	18221.7453422077	nan	nan	nan	nan	4171.30645769952	5184.84377783466	4759.54410454629	3639.50693283599	14655.5255421687	13189.2873233276	19015.0607156543	16186.3062095832	3532.08328642692	7899.43575795526	16709.3151423278	29243.1187942333	23435.0364801992	15133.7087947393	42123.9936926427	16773.3974897004	16614.4924949187	18631.3888226906	65869.798787062	26795.7732802609	4638.80301719357	9317.27686000552	62808.7422067418	7209.29021671574	9747.03561673709	31450.2009236552	75306.2985817948	18765.75466983	19370.8872116929	3749.12282941073	14133.2649610932	13240.5620308656	14272.5815803746	7273.71211504647	24743.7322037163	8873.80672252672	9629.62399567451	21757.0492665977	19212.7992978208	10470.0676047989	136455.284142925	37358.98256142	17907.3719559181	7335.16283083589	18351.3503894195	27870.3719876977	13418.9665592417	4980.13149889064	17469.8358117702	19409.0041481952	5727.67901911328	21362.9324048667	14928.3579766537	7417.09739662279	17432.5999753947	21949.860303509	9192.85550433267	7464.21619991276	15087.8968179921	19147.7677594426	7440.2559954181	8172.87166576884	41141.8657188905	41840.4608515186	24305.4276193559	20323.7299960202	20415.1615533259	nan	nan	nan	nan	5649.5828552646	6300.81248184622	5311.33815670325	3983.43162709181	12664.4763009144	15606.542868842	20654.6918283155
hydroxyindole acetate	4043.17777654098	nan	nan	nan	nan	4033.26812482921	4341.68209219235	1947.25180869366	1908.60208088366	3914.86765041059	3828.41408416954	3400.61943316413	4428.76833509328	671.801598121639	2696.03703730664	2741.65580515298	3734.32849530263	9461.73603103551	4510.41900131588	5685.57706653141	4729.25848977889	2195.44390275647	3146.79467291667	5100.44353765846	4245.18462585034	1150.58921284788	2243.34414687043	6177.00889215206	1057.89986519779	3069.02798967672	5697.42798719068	4367.24644652538	4036.13109113499	3087.02931396287	1289.10032682398	2052.70543027518	6549.43416085542	2406.01192802732	1548.80885487195	2824.19917983574	1794.19955863485	3430.05047504606	4733.04272409088	3127.45437912707	1818.90672754947	6294.15251386322	5640.16228753181	3811.35772853186	4011.19050421987	1707.91973684211	3465.94445322793	2632.5085210728	2016.66597256556	4555.00248702161	3114.44023267205	6024.82414106332	3640.22476147749	3244.24993477398	3521.80759633766	1257.99437315773	3884.07316374757	3160.28808593062	2335.82906293706	3229.30361250298	2340.01185788114	2470.68866331096	2184.1888342246	5468.99274976047	6895.39927081045	4541.20217304378	3879.09874871001	3375.69487981778	nan	nan	nan	nan	3047.53575882151	4048.22566877591	1505.47796532807	2398.85594747102	4814.51510695035	4165.57341770747	2990.87344003711
citrate	290242.344926329	nan	nan	nan	nan	547112.836554588	526065.377696064	234396.499346296	252246.009389178	398656.695705874	392849.524901091	302618.253431695	286831.899691739	118065.508329304	113914.738404143	286778.544431706	465205.675041322	434753.019625749	364631.373198523	797439.949745125	159247.198604977	188214.796382424	291933.771475228	456610.797253751	184396.658819773	133039.953960416	390187.775495861	497897.618746848	191080.797440594	232128.267284064	477267.147886084	634811.505995374	313783.299049871	308668.466516382	78288.5702911188	226262.152658514	246461.20465114	120169.546276597	192847.365520094	191621.242492111	110404.340515778	144970.063609674	386371.929417985	303131.931196379	226832.260962911	769068.411110578	229243.465404049	243925.171182076	354118.946140764	425187.530633795	241841.44568737	391382.529375901	181932.291108561	304046.694897393	296192.150354038	274406.833028472	303787.844009553	225088.858179321	231170.323260363	238029.914268044	218946.962293331	190125.511262612	175145.398352252	211176.711965685	281113.154648153	390859.515114952	78440.2634103496	230070.736252347	342615.052123383	166581.066967827	275023.011911508	299461.380555261	nan	nan	nan	nan	483617.421376669	523357.783366847	237659.601517085	234964.099771093	415759.961411867	430433.607977091	293505.741763459
FA(12:0)	136673.48645118	5572	6138	14156	12166	265754.61060261	264991.65569408	79927.5647383803	84723.9758150446	223840.709615812	218216.069385877	119497.26396155	139367.031023096	42650.4023036386	70501.7121900367	62316.7484883683	135297.489469762	52758.8619684261	143219.556119588	145474.552003023	108485.004890071	52068.7958818732	103762.122308648	48642.8663547682	53183.5344894553	39119.2827159579	126153.481173415	141009.573175942	51735.0585966495	93474.8708915254	189040.716514225	151234.673472003	120655.212014081	155656.668579511	52340.5920973095	37928.613044998	55060.4994843266	32187.4211341082	32498.4537501573	33718.147494316	31253.1629072295	89757.7973958936	136429.254328428	115478.1033625	101803.570109643	175866.585662972	59975.3990467711	64325.9455395323	186354.071801621	118867.828528549	53350.1934297107	141724.442647363	61507.9766957716	133347.286198063	140760.824026554	67413.9901948077	110613.893111496	47720.7459750444	55249.2438512035	56854.8926822064	71308.818845166	60888.0131628683	46463.4717508647	69200.9594301725	150572.434730349	135882.567826606	61060.3481094297	70928.7587424688	131597.366742537	54472.8984311571	150013.076054538	161436.757046714	13641	12625	5938	9990	299479.584982391	292606.946981506	93158.0171392035	92144.8442026764	264480.96238244	258044.896260272	149276.624186204
FA(10:0-COOH)	14320.9166808816	6162	6827	5549	4531	10196.8742492981	9501.81971961801	7620.23272048748	8283.29235515258	9978.87009119555	9355.34197113538	16058.4225945761	15523.5096651633	4966.95507423879	6067.59007678154	6125.67465876836	6688.50182610926	10224.4295958916	8660.54284933969	9890.1798409667	7699.92688578856	6193.81189642729	13469.5368753727	7644.04152768897	4278.35752534013	4080.77431548069	5750.39063597526	8869.8153191205	6873.39474237031	5455.48111188229	7975.89529531459	7608.90154151505	16531.0410640428	15572.5518942946	3513.83416473116	5218.75783396184	7263.88395664651	5577.28604330278	4684.8698694806	5995.28912307411	5195.77553868366	6744.54758731814	9034.49074851539	14948.1977367739	6151.63144904847	10047.0710623034	7482.63186319829	8406.22336528222	6747.31074969156	7066.94428581806	6152.65059713425	5835.06358610818	6752.86892985827	15093.1133997416	15715.3482235045	6577.03677290174	8455.42167481879	5235.98484572836	5376.74798637147	5982.67059311669	5562.98896518699	5417.53335184698	4583.32440892166	7389.20424316035	14934.9620982659	11720.813064704	5849.89711056448	6807.60861228917	5165.79240238616	6945.55612933989	15352.4302511643	13170.4346208009	4419	3135	5721	4837	10003.0020504896	10630.8104614001	6559.20605117232	7419.00162850957	7716.13321726153	7558.09666052793	15982.2014816242
tryptophan	436508.406761256	nan	nan	nan	nan	956090.069035702	984018.295289451	535008.371101723	533497.65288154	453274.249861219	439851.273693653	416539.572864728	428327.983825823	288235.602599583	327207.039967156	384274.823390933	510264.080548733	358635.386121371	515232.850351878	1095629.18366635	445120.467803016	296369.491282993	433822.793653119	372869.640190332	347311.602692251	224231.885505503	590280.015764082	683042.636515389	370476.605139718	377604.007577363	543989.804682926	886596.211242753	434950.724396328	439580.172721741	212605.675899578	299774.66020942	304977.055315269	258450.795067016	360097.644460138	333838.209182493	249779.604430285	333696.073909276	419035.567811565	429941.886515054	381662.572196289	955792.347754033	392585.86621536	358473.682244285	550433.903548206	712211.458865795	412314.580494606	615440.570373957	240363.617466203	437890.049674935	434991.453129034	452822.560836261	437493.428635702	279520.509099995	348332.197704549	345635.167678375	343148.837860249	236233.007287282	284634.413045939	390165.839879581	441821.171540084	534605.67179171	342002.008749656	524544.89898704	524338.625143818	302042.377988318	437381.804186933	451802.455380795	nan	nan	nan	nan	995575.529286567	955773.788907435	541822.644365095	528427.028581182	473470.595211817	472979.174998978	441025.612859471
indole lactate	2279.15748656439	nan	nan	nan	nan	4571.17387843912	3030.58399321459	2062.53746653734	1636.68400698636	3056.17293021603	3491.30196333733	3056.32963008505	2024.64017813121	1508.64926322468	1539.31825129293	1804.70833479319	3041.66985776129	2807.34070462722	2747.59586011404	6590.00531209744	1523.31938370642	1258.67204897851	2377.22303279813	3289.24144086225	1369.95211993582	1672.22528707349	2410.31805347529	3788.22999151824	1821.23683453237	1783.60107863206	2287.78238442822	5262.30392171018	2472.69273493468	2023.39145784082	831.79904551508	1483.12664041995	1807.9133457628	1604.43097120003	2080.79628552062	1820.77659545516	1191.29998921793	1666.03319594562	1586.00917689413	2816.41976450575	928.561277381048	6663.65503703704	1773.57199549042	3104.16091236495	2406.90552011615	5463.513452731	2011.67741745531	2823.51381839296	1316.91675070028	2494.37818903252	2295.13708160963	2648.77913086511	2534.96204356811	1594.34812280235	2325.6709760666	2439.33222354027	2320.17700254734	1233.73711585712	1207.2193693632	1126.97474690849	2523.03351603081	2614.50594748286	1729.00944237576	3169.39661507538	2670.00280528792	1875.19940740741	3220.96850704591	2376.26002414584	nan	nan	nan	nan	4581.82677136136	6050.20390489687	2106.9587464127	1800.17735347785	4539.19945366773	3982.8433711814	2743.95964196503
N-acetylphenylalanine	3095.70760556061	nan	nan	nan	nan	3566.37147432667	3796.76098315383	3057.28890237734	2705.82230570301	2443.44076460481	2613.27279127068	2899.59644378405	2560.22814574899	1193.54871917453	2691.51383703704	2635.88215339749	2544.82130400244	3931.16530716622	3315.94180926096	6621.69888635263	2966.39017732884	1360.04674802082	2709.22344819023	3783.22001126126	2277.60740664728	1293.4834879238	2503.07478846964	5697.82374406398	4271.51287677456	1638.25937086393	1986.12090081656	5143.24437017586	2678.33472963723	3285.09931788204	987.651375481532	2696.04605031679	2600.60506214689	2097.24429329474	2472.75138073235	2241.7519060268	2419.82191888588	1395.55053178805	2976.69197258933	3006.71886716792	2067.69903929283	5500.37981915709	2301.18421066354	1971.84146970978	1931.27000449669	3912.52633409232	2549.18169934641	3480.09363347529	1407.20076223473	3723.68296296296	2351.86094901078	4896.0204514805	2667.55412533	2488.63781163247	2713.07134574774	2123.30465355805	3010.64635706914	2191.07990239141	2186.79848617176	1793.11312019511	2544.72306115658	2381.26499454744	2064.21139324774	3031.74949435081	4616.23465035262	1428.23780619711	2596.51028248588	2902.33409359025	nan	nan	nan	nan	3949.5268805543	3915.34044826257	2771.20420766882	2863.51018961545	2913.10337572965	3126.49401149181	2787.44187970417
FA(11:0-COOH)	47273.2370437659	11978	11475	13190	11228	17893.6968689208	18117.9380459944	14710.4241132485	16481.8502503126	10036.6946889174	9799.32193559261	46927.3237794304	48206.0989097467	11349.6465278518	16400.798857116	14254.8178667532	13207.9386487787	16871.232192264	15487.9145688813	14780.9473466083	13974.4601823375	14972.0743568956	44298.8649035776	16239.0270128699	13931.8296980797	13448.684399848	12206.6014790232	15286.6391095118	14302.5997662711	16775.9973196054	13152.7186537907	15778.4163745108	47329.4683438791	49123.7751957589	13505.9276373398	14242.1407085218	15151.2737948758	14135.756136706	14389.9619795408	14854.9020964594	13690.3678206819	14880.5191393509	22147.9765209235	48254.4219755006	13341.2928093102	14919.2710061305	14714.3552302114	13979.6223679509	11896.7958382941	12165.3591471638	13201.9562820102	11734.5634485932	11742.5702135053	52931.6892820159	47198.3453150107	16495.5697015319	15471.9667482589	12468.0333765755	11164.1094573453	11393.7405043905	12364.4499345252	16284.1906998869	11303.0971848783	13073.0175609251	48711.0859748334	17472.0594994451	12974.0713534574	15325.2999455548	11203.3397604979	17382.6144808922	47368.7958067339	46881.4832428792	10916	10700	11005	10825	15096.0462814253	16977.6219155144	15514.3889533577	15807.616263969	6976.17863548612	7944.81934203836	49705.6252120715
FA(12:0-OH)	91493.185167225	nan	nan	nan	nan	184349.465051471	178077.105054994	88244.6167558071	83225.7895991661	15110.1984810486	15589.079799351	78747.177728602	79970.5662728451	44538.887596315	10475.5643201316	15992.7691708141	164227.076698994	16549.4401269549	163724.633989801	210606.43318416	95957.0323475441	20137.0659573643	81215.664271386	22958.8964906528	98739.7679147364	44182.3871174302	169748.813174779	207160.213301857	16759.0434448675	139627.197242482	230207.053377009	172878.702777139	82358.3660380495	83819.4420860092	14447.9225591119	15000.7400333909	23801.4188498369	9332.10045083317	16287.1150657798	14233.5745542908	13712.0238432859	119043.84861951	120654.531087271	76439.3784022055	101405.80361967	260786.529662325	12608.3271478404	20991.526342743	120641.436146011	135951.3668565	19179.3174935439	123994.878054435	11287.1090448783	90951.6253292109	77351.5407379966	15400.1844540159	119058.398911748	13347.4946107016	14093.7489529757	20267.135521386	14885.816327303	18140.3509030435	9927.85889057382	16877.9617206324	86728.5137870578	134105.967344464	35258.1872252307	63748.4496468683	137450.139125093	12092.9207774461	80554.7518507699	79035.0245583534	nan	nan	nan	nan	152625.213209358	146326.500753129	81387.3164691336	84946.4434872134	11787.458401101	13297.4512165877	75977.2000720061
FA(14:2)	38977.8299737145	nan	nan	nan	nan	71977.1744825775	67960.4474685373	30671.1211551259	32468.994488588	37768.1911612129	40585.3309670786	31851.0708213953	39396.7945899956	17217.9715628905	31536.6108561657	37921.982708313	36436.5056924652	38231.4628832515	48048.9315995621	62731.4987378837	38254.7634794973	34538.3413550014	33692.0731075015	45346.2727272432	24052.1843847671	16956.7455749043	42328.8826178889	60975.6516079961	32379.0193807025	19659.2710294269	35239.9645481629	72305.286575049	34692.205476109	45903.9868471167	15976.9487739987	23937.2217548134	32670.9702822528	15903.715951547	19854.4596147664	24990.0715114061	19221.2374437444	20106.3217996073	41421.5254066139	30087.4965452787	22014.7066076659	71801.3909152221	29142.3369839016	38062.0761226835	46690.2897416455	51912.3056361088	36811.942899943	57943.5099366266	32399.2132930342	39071.5454563742	37936.5519876733	36063.3221611457	43329.6493244335	27653.367337531	29671.2221872324	40279.3293784911	38953.156438574	31693.1108270027	19867.5040682131	43465.8825097595	39016.6968229985	51936.0682911494	23351.8274705254	44431.9534471767	52230.1066630624	24219.9753221622	39550.1615521003	40608.9564234129	nan	nan	nan	nan	76845.447150001	77831.765329388	30480.1765537658	37600.3747864512	47729.5691908098	49367.9830098372	40595.2670945103
FA(14:1)	156122.690327907	2129	2038	4433	4517	213570.249382959	220968.607476132	60511.0319103873	57555.298679494	555068.628805095	630426.009968549	148979.343714044	210735.052291447	53128.0366280391	275684.485085836	266083.443961353	108650.922842035	226858.291336914	76098.1880296419	205451.824089948	91126.6738923654	178532.468429322	123788.646702083	90883.9154660701	85896.7125170068	65873.7630569771	56318.4128451102	211026.390184369	149847.694593966	100996.997696278	135419.21735313	253658.544583539	172072.499498648	168839.550786118	88382.2909099539	148625.151986433	255783.10516836	176759.47904124	97642.0389422039	72879.2391617106	146495.505744932	139374.569161259	175681.100366613	131305.698250926	90814.2671537291	232803.666487985	197031.357366412	315056.258356417	189333.684870519	131264.236506708	205239.777183136	294758.729912644	232136.373236392	196912.966459012	209236.551187852	506643.167562561	176140.033046209	195204.702580682	170714.943451051	300849.517152712	413245.416950236	248085.154353466	169717.547520746	328846.965790981	205811.47772093	193577.609815436	103047.129286988	205085.720675899	194459.889174903	207705.710215788	216358.825748194	219248.996427501	4935	4554	3568	2952	319199.132541281	326488.896676122	86224.6933350889	99437.9946486098	936593.557131347	903862.182994172	209697.363152401
FA(14:0)	2089313.92209267	56476	52879	90552	82917	3283250.51352244	3558469.20173139	1134448.52475896	1030338.02066061	4339861.73794201	5011737.04687335	2160672.08034123	2760732.13712918	979657.793687798	3231797.7587892	3044832.30772678	1721118.50736691	2414289.51648463	2176783.58642565	2095180.50488122	2798308.26527048	2147508.56932088	1621067.08423333	2911612.45671588	1638153.92340136	1202495.63265975	2042364.07951783	2262790.13512808	1945968.58891833	1865946.68469709	1892230.30709985	3315253.26123542	2352897.46614924	2265927.94043799	1690205.33106455	1878661.95265168	3324799.9069031	2175141.6157762	1279479.99576293	1941938.37357123	1973697.67764742	2726526.88060242	2532219.95169484	1873704.74672894	1743227.10076103	2242828.342252	2277521.31220611	3404476.17144176	3227716.23570656	2123137.35061662	2719295.64961792	3699647.90346973	2821178.95828414	2573647.4464904	2886689.77018614	4964373.40493009	2652832.23545387	2611509.29295672	2077089.85578831	3923209.03871809	4840043.52799555	3096863.91793156	2524827.89098182	4120360.15507516	2861681.33371059	2571592.45947427	1677014.32539394	3493132.19633481	3209871.71410206	2671545.32977318	2855302.44862745	3057747.78539831	110528	111217	64570	65167	5097822.95243028	5396069.56567314	1624916.60164494	1881700.95848158	7045211.63588539	6863712.15841021	3020863.46999072
FA(15:0)	696275.829518111	32981	28608	45338	38876	1036536.66564355	1115924.81852281	406781.76298811	381055.0263075	807546.775091336	905350.378359543	698940.159427524	930646.879355157	316484.749750814	808195.894017592	875440.542106817	550077.338101545	831635.983037899	699689.085703996	815669.623741652	859635.991976081	623746.6098731	568360.154202083	776892.280683072	528919.702312925	346975.192154798	675275.393794321	889667.178325991	516309.839304606	539661.125870687	642096.30496885	1232555.7954526	794614.415309508	776974.082100619	496206.224528072	478122.246339515	942244.954761241	564597.918555293	395840.389420077	616227.321286888	612517.523877855	921645.134858608	930062.402401376	655934.776653245	562250.347579909	777802.3628435	971533.642552163	1388364.95772853	1153491.29931761	791148.608452012	795823.030653491	1474497.86217011	646879.165874655	903230.875042859	999110.09531472	1319069.66465046	1025860.11267833	653349.727257671	839878.411866385	973067.873653183	1421893.1475841	850943.375608382	650947.552300233	1126949.53180864	1033843.62403876	1065258.8330481	647305.80185918	1508266.19564149	1055918.51597335	833001.56791727	1010944.48313467	1080849.98766409	57786	52484	39720	42846	1758221.80162521	1814089.72861735	641705.805057713	747763.882850108	1464817.44873078	1405368.01735887	1087884.04596845
uridine	278199.786800558	nan	nan	nan	nan	465428.330702854	461542.400710206	475441.388785861	485917.649415666	525561.677055314	553944.983857004	263375.199014243	269420.939158648	85818.0505797446	130917.402602969	206874.481944526	268869.960871009	301819.969482694	311863.454270741	576269.706166998	275838.695319734	174701.915529824	286692.105177988	268164.355294192	181643.320627758	190931.049617782	295204.138674847	502296.709710849	185746.143530714	278064.099094408	474357.164505956	529071.862232383	276432.950750105	265767.243267665	92809.6217030944	164152.45656168	298443.250903125	127324.122862267	110966.688000417	166535.44491314	90970.4101247374	125090.601936879	483222.869385261	257792.76458124	176662.652027067	1186210.12513889	218617.381388576	296507.665516873	301586.447338298	410959.004968369	310513.247343849	355690.053404797	155680.741111281	277310.953696023	278737.314805065	232482.941630015	251902.204541112	238418.091637266	170974.030821598	196633.772126005	192391.394379054	223277.938350658	90022.8933561659	157662.177004672	255514.092585826	455872.152403412	136008.205260884	417528.023115578	356185.396994548	174081.649477249	287740.636129619	274110.380598817	nan	nan	nan	nan	425013.558278501	500094.195427492	453106.346280635	432613.588833905	670025.866073237	574681.891384158	298786.716569525
FA(14:0-OH)	60362.9580449964	9606	6654	5758	6436	144702.683058875	141040.61167966	57635.5187733561	55911.2917798742	24123.5367599366	22171.2451001696	65862.7975263573	55876.3259113374	32543.2510727458	18951.1763869099	26429.1053548438	94439.5638624319	26836.5667344936	106908.95410751	108763.238103003	63627.3942676823	26360.7147050058	61571.7225307926	33146.721655989	65974.5687410508	31821.0191985569	104716.214789376	116312.832258141	25430.5328893331	89463.2619413833	144239.899477872	96860.9499685191	65761.5153358403	59118.4467926907	16775.5678254293	19794.1622857851	25870.5962850413	14836.4712147133	19386.6953736255	24389.2362580449	19080.0208473689	76783.4249661039	79764.3573831062	64955.3434831573	69235.2335133067	142677.206265904	23941.7088565327	28750.4937675142	77579.9346763254	82069.2524329269	28353.1590871881	73920.7702506697	22555.4687391837	72452.0492600982	57489.3478226316	25782.8319591829	74367.1780849766	23082.1775632312	27500.4204272934	26159.0415049321	24857.0056126411	27519.4507586903	20294.6356832141	28170.2693846261	72060.8337407197	83354.5722705149	33567.9890020601	51434.87931766	89913.1013143881	24198.4626186451	80501.0813962892	62917.1272359497	8326	7315	7512	7759	140490.537663522	139051.651752813	57893.1463142034	57979.3334061614	26114.427864834	27232.7261801934	59814.9550695421
FA(16:1)	11675829.4254063	53653	44127	56501	49327	16910905.3209536	17474355.6942642	7858594.47574396	7959421.09967118	22907142.2877032	24415543.7256264	9886101.5072407	13602967.5289571	8206434.84754862	18228473.5436145	15288590.4140838	11426184.4247579	10831848.7456789	11656482.1857854	6806709.26950263	13348133.0588502	15255345.4569698	9695972.19668519	11982285.111102	9460205.324094	8282518.16247829	11892560.2213045	8075058.60958892	13573059.4210248	9339766.44180386	9760232.41457429	10578010.4727701	9772737.34481103	13272020.3228367	15659046.0970445	11162405.0687557	14615899.6790926	13581409.384221	8412196.89681085	11727316.2835034	12693526.551801	11278036.6785767	13132322.354284	10900883.9048233	15072460.6301416	7132488.91803971	12128760.272702	17360822.6348542	12672838.9723363	8878703.28813407	12692235.1131198	14553746.2173435	18942214.405374	12837026.1475292	14865812.7278187	18839592.219189	9648721.16364515	15629959.987008	13794447.8798889	17447724.2082048	19304191.2172879	17292844.6754541	17577191.4691916	21215967.659846	13577060.5493541	12645521.9704531	12975573.3222635	11284349.9614644	13289772.328972	13492309.1251807	13292484.1639339	15489755.9699715	106106	74489	48831	47986	21637609.5590429	21176018.5341402	10548630.663639	10156809.0389052	27250767.079187	26613572.0408627	90921.8643409847
FA(16:0)	19100373.0328925	1409494	1212326	1369366	1363877	26368116.4300379	26477343.6497492	15515732.9309364	15667716.2287109	27622246.135681	27550932.6773583	21114693.7696276	20596862.9508317	16646824.4354273	21966562.4433148	19798035.9078704	19253013.3052274	16292381.947847	18593064.5050279	15975856.9650278	20653216.8623166	20818392.5930405	21587352.9118789	19411853.6306242	19357621.3682939	15372706.8516526	21455645.9601092	19187028.8903322	20424571.6916648	16028505.2308592	17541782.5682833	22142440.4691598	21383876.4143781	20972479.1020302	23027129.2972731	16033296.6188887	22419418.9638157	17077220.6662459	14104672.7107204	20436142.5926333	19397415.6781027	20132383.8184441	21473033.9403619	22304226.4980848	23079919.3897381	16815169.8060265	16676906.5358898	21592728.6662422	22521974.6876415	18216816.8482041	20545195.2697822	22573286.1201157	22121656.1337075	22349675.1341837	22432531.8473865	22781860.6372925	19200719.1495447	21083928.7025538	18249398.5123906	21704678.3291536	24943646.9148722	22161323.5365312	21880797.004346	25791657.2654386	23464148.1503453	20678789.9829814	19165027.1945521	24440996.7964435	22216533.9229411	16202723.592427	24081347.1507882	23106460.0505052	2095545	1941681	1766370	1740831	30070259.5612488	28901960.4736893	18402299.013886	18072374.311005	30783540.3941753	30612089.5434333	23591827.4380033
gamma-glutamylisoleucine	1859.04302768888	nan	nan	nan	nan	2324.04779144122	2201.75893164646	1310.73932484612	1262.9457388206	1648.89961789844	1780.71799311068	2048.66882966723	2567.10175571982	1271.50741498144	1429.90749408553	2572.11673376275	2075.51543303044	3491.33927782751	2624.9847496364	4487.30439090371	2523.47456821026	1318.55352019709	2004.71823333333	2490.85425801641	1208.22258503401	1153.11983428376	1554.62876481566	4204.60170990374	1314.53108724957	1881.8513257267	2137.2912558952	3183.02890422211	2179.33371044362	1555.15503900995	495.807818009222	1906.89517369659	2751.72786610879	1521.79970317836	1336.52693945638	1342.0092596998	1047.20855427252	1028.73785468237	2524.63168298036	2097.97741772696	730.518173515982	2883.1537245841	2195.29252417303	2293.20685133887	1997.48048762894	2088.57374355005	2095.52825823452	2159.05484750958	1355.62903979448	1761.40692502716	2180.84994856723	3233.58430492475	2185.68774338268	1403.71479779933	1920.66935909045	1773.56583756664	2479.11885738115	1095.07893173681	1488.63717482517	1629.10521116679	2016.90463049096	2289.19831096197	1386.7131087344	2493.30595592718	2342.81390145691	2003.3311740779	1709.03602425181	1655.68808487682	nan	nan	nan	nan	2127.34597327852	2745.39184813441	1333.0544042133	1501.28253411306	1473.91131460993	1578.42184623925	2281.29373463234
gamma-glutamylleucine	10178.8435880631	nan	nan	nan	nan	11571.3776173482	11785.9908217	11304.521985126	10481.3595694589	10592.9656988531	11169.1186237053	9333.8229851686	10738.301940931	5159.63968639459	8695.02034373325	11561.9339901967	11268.0359363733	13500.2644372335	11406.8202026909	17222.5766633108	9402.93354529558	9124.38313639617	9546.69963095006	10463.5286897103	7664.93054863913	5875.45417632722	9724.6120077938	13169.3020155468	9422.35093564358	7799.8339669145	10505.9557092126	12585.5770766602	9771.28149698168	9674.7020237873	4164.01408906558	6708.54962411953	9573.01431479718	7147.49420701897	8584.74567409223	9539.5173931214	5520.16429725006	7420.39359341009	10558.2023746909	10098.4496508472	7595.77502884294	14365.2434565789	9691.79469809831	8121.93255285641	9132.49602617456	10315.0357732691	9518.7609641344	11209.7377389716	7961.26557844877	9967.31670409744	10469.6905554744	12670.2810975825	8919.21533972001	8812.08184124111	8630.28447078846	9192.4948247349	9034.05243573175	5247.02717670786	6972.33254230055	9165.86203611331	8859.39991188156	10280.1290656164	8655.95496352018	8134.29490271416	9452.51692148931	7979.32913748762	9299.91767210622	9716.23773538346	nan	nan	nan	nan	11678.0035140993	11720.2414769133	11396.8815108915	10532.6781759097	10920.136240682	11044.7695742584	9405.21812535115
FA(17:0)	1512842.89094443	44162	28886	36512	41220	2454973.74411472	2505763.13526343	1333183.50080845	1385271.72324529	3150660.53612384	3035000.38861154	1615658.58413141	1541950.54354461	1165363.49187744	1336599.87692921	1248612.26828604	1488748.6874576	1148387.73744712	1270203.97815931	1348271.44536042	1446024.79535292	1471092.15660371	1679213.59326583	1388354.58891205	1559364.06939981	1032149.68133632	1683072.60979672	1576943.89244078	1406877.49318731	1065738.22279738	1332599.9892009	2151756.5936624	1674187.6051481	1638359.28624136	1622947.98927816	944726.221706711	1808709.9283064	1032744.65609289	920879.19378418	1595027.25864511	1372376.27343721	1607793.78416653	1953080.51632589	1912626.44107524	1727912.00847251	1465992.35933141	1296598.39052954	1718582.50278653	1978667.87779844	1811381.28380922	1639840.5986989	1860401.11970685	1549813.42389149	1659232.38004057	1924756.67822851	1628997.28891369	1739410.9499497	1536264.71749801	1467712.00732654	1652925.43960992	2142139.16466313	1740176.01051184	1570424.08410581	2127891.21274175	1947525.40066112	1855220.29306885	1629943.90353931	2605592.14012803	2156453.96276072	1195883.65378368	1993214.87194354	2103571.01352013	58605	53571	43419	43309	3710891.06126559	3402745.88851011	1926001.83136976	1855662.98838157	4358864.8721661	4332758.23515321	2222526.42324376
FA(16:0-OH)	175387.642541122	18092	14702	18052	16934	233172.855000047	178750.846880194	137337.01260813	141783.206085133	111144.961982974	107601.604422886	143839.225899801	176725.53117921	114129.479440094	166849.15735536	203239.095707622	192052.115111843	364326.817871886	154800.026181218	253744.433869563	154521.289577549	158106.159580251	147171.963229962	234720.383248985	142585.041313813	110909.983707668	129096.705655909	206442.512037182	166427.494267273	118215.668161017	162236.386306079	264194.15139172	143682.960471436	196265.944944902	96642.8848607771	166513.427260133	389877.206550694	141283.383317518	148475.389023735	163133.381142204	121809.170096837	116339.559394663	185937.400047164	155980.564497766	134341.207426409	256754.029527429	254375.860757204	196773.513267221	147660.551536678	190045.186718953	200495.05420545	182844.015341783	149648.027252174	177378.92767906	191652.176207896	182494.917398087	175917.430457546	216585.353235165	226993.912558079	164880.561609091	220812.076716572	136977.144888921	128136.321069569	178544.553466436	180321.324656927	167767.021257614	171309.005535551	215825.247204071	200648.566817805	178958.360385242	171234.879210426	211712.346318599	125870	59684	38100	32870	185266.985078716	180483.844639456	159435.28588403	151089.956902154	112957.009330058	106688.331024387	205566.143396037
FA(18:4)	276573.58784472	nan	nan	nan	nan	501242.341675685	529000.966960698	161780.035759453	152593.815543916	1979256.72885537	2276117.02201987	250019.348745065	355045.889765575	101404.68259335	470624.340678192	321168.546218465	144071.512847682	243577.72636228	173933.407307985	356535.13459464	196220.905874009	266054.977961233	190339.162514583	358486.842249068	148675.070204082	95561.3266617927	127520.584852978	189507.809035732	306353.320202668	144294.858679707	132744.832160699	338937.845556103	267181.50647665	276169.460472424	117365.631712775	284257.095199956	324117.680510062	301658.433619648	225238.754404867	203917.767854999	264482.779294842	218940.925956901	205491.05600522	197283.278602029	104972.313302892	232932.961869994	190742.736053435	286749.022564306	203514.547907379	292609.069842621	381256.170081686	199107.825845211	431944.013839368	292480.261757817	329406.89376194	745171.642593285	177137.762620009	322695.381258011	200934.577532951	666782.605145187	510625.109438421	357003.858491518	330441.144587413	522229.394013362	318397.017186047	172536.828299776	120153.523475936	175618.28124031	328135.858133099	399690.22236746	332674.8575516	332509.057857699	nan	nan	nan	nan	666226.891225762	723221.306099353	206323.400465218	236506.599285934	2917725.77259574	2796027.79462892	330666.150016238
FA(18:3)	8998913.70064654	18824	12277	11984	12256	16953364.8890791	18244242.8375611	6847748.18872806	6323736.43258293	11716256.2349774	13561619.0489441	9128604.74783982	12053668.5153031	4403668.65151405	13799882.8961965	12578536.8439318	8281501.15736332	9526095.97838854	9895931.20627744	11261828.9427475	11840090.9289751	9384753.59510436	6389958.2425625	13019977.8476271	7798683.05251701	4953801.1210021	8446782.53683159	10131875.8974058	8892962.09358806	8325026.98820701	7725216.57161223	14988025.8672712	9251816.75047285	9354892.65888835	6766018.7984025	8159312.82773456	12631998.7236554	10356457.2911374	6076628.41857914	8373968.19133617	8991294.45362689	12242533.6599439	11305737.0198042	7672829.30467816	6787650.40773212	9113491.63624461	8157203.88608397	11963319.9863211	13103139.9177148	9429884.77751806	12221250.7749407	13398611.6465655	11232202.824311	9816275.86998672	11087876.6726892	20651213.7237154	10281573.4943502	10862061.9180012	7446627.52039239	15148408.9696607	16677718.1905505	11824467.2630064	10261221.2296373	15495362.231885	10874927.2820078	10456330.7131292	6649032.52909269	13937232.0749656	14390330.8276506	10872293.0521861	10884280.0155934	11570507.4949374	40513	20782	15982	15051	22848299.3311052	24200218.7801207	8910305.78259732	10301054.1029507	17106258.9052437	16752690.264635	11490029.4617513
FA(18:2)	25657752.6730006	728351	500059	489673	452574	41859375.7932692	41827789.6593007	27416066.0178106	27613611.4699623	17876668.3371739	18082800.2790883	24041480.9568542	28795004.6802701	26430900.9171503	35106376.4223084	33370835.1458522	30535482.4164647	24995517.0255286	29410875.6247477	24695704.5209169	32137063.3928913	33075854.3439087	24333163.0912554	29468111.0928243	29600351.4502748	23450548.6887473	32731857.652099	27674256.6853567	30777659.2124127	25835394.7965558	25911279.8663428	33894151.6289143	24279704.3883514	28706944.8340197	34597282.6562823	27242301.6604357	32892633.955451	27412768.0444787	22633192.9713914	30795664.3693154	29611755.5628241	29439943.9527737	31845905.0561569	24533846.1571684	33774200.9964205	23796123.8720979	26659246.5585755	33361507.8976703	34842420.6473127	28011486.0602248	31202259.2846081	33749041.8505653	33543336.3689528	27360812.4519434	29765881.8057634	35329071.7862899	28753983.2974455	31015654.0571483	27348308.215045	33689687.7858066	37100700.0494293	33197359.0676812	33308943.9567608	39440241.2460822	27135188.8715224	31141648.1527144	29120466.2149342	36767300.5986164	35215283.0281827	27284788.9256266	24375306.0792313	31135520.3417863	846860	532083	435189	390510	47423901.5023535	46651426.4729543	31286688.1486034	31223756.4558415	19826835.5779662	19774661.1712545	31981334.556641
FA(18:1)	32552153.4584298	863417	504085	543549	495255	45471613.8282747	45398222.3591975	28154301.0660888	28253384.5785861	43324894.7058525	43770658.929129	39238417.4889457	35997485.2681082	29321257.9848185	39344137.7012702	37243329.351346	35583966.5321006	29686766.0076127	33399745.3757904	28888563.9352845	36214821.1002261	37970301.424416	39527519.2635196	35921383.7889776	34375215.4105296	26575013.4413081	37636444.6645738	33547496.1215406	35475907.9553976	30250923.0540028	31169588.9770523	38800223.4505618	39427894.5026117	36566323.2063545	38321531.4005126	28622379.9607399	39032186.2164333	31457494.5031733	25574645.8567159	36547429.6223989	34244737.2657236	35648212.5951562	35851585.6642155	41150594.5962951	38505559.6951345	28958564.5826105	30810617.5771374	40014131.1332406	40692842.5770378	31687581.5641482	36977036.7360386	39709749.2750648	39222481.899169	40119160.3963542	37984012.8579141	40316706.5257506	32664858.9724295	35828252.2381828	30677771.7356117	38216703.2492188	42379462.3807685	39219590.6935444	37876714.2597995	44603759.4222944	43954275.1218715	35961582.6387238	31322981.7732591	41161079.0990407	39363083.1863967	30449261.9129328	45080245.2231562	38665227.0938573	1519491	883157	625845	558861	47952900.1774058	48300289.711988	31372833.6642636	31388959.0775682	47445511.924061	47520542.7299866	39178733.7875061
xanthosine	3295.931684935	nan	nan	nan	nan	11569.4376456876	9232.67338104073	11212.8958404171	9806.88769293257	13550.523183572	12226.47902763	3061.29530600119	3713.34421235857	1220.85074466945	916.12334054375	4296.1088	1834.62916118587	2333.61688226839	2563.76556235493	5284.75404704409	5292.10043876797	2309.5433408847	3315.63834007776	2588.66803278689	2523.49677027789	1185.04682410423	1555.84972116231	3670.84136837934	1929.13677217663	1665.09444444444	4015.36778234488	4507.06083025072	3527.94242803504	3509.52065677966	631.110913140312	1585.18876611418	2942.8701687534	1751.37913343594	1342.44419590848	1425.60299947461	1221.38875655074	1398.62771834137	4410.68874490041	3128.86598882477	761.843775427177	5639.47512629506	3113.15166601162	2002.62141397054	2570.59101353076	3668.34898477157	2815.56295498319	1715.13337265697	728.077638596056	2753.26275992439	3692.17035217035	2795.94794976547	2851.24856651376	2465.17359662541	1887.59439791295	1281.8207954001	3594.13042508586	1680.91012669766	1085.10951852226	2273.40780042819	3581.16816115956	3277.22750613976	1832.64977435515	3334.80405225273	5413.36500655308	2776.31420499282	2005.15606767795	3333.73046165031	nan	nan	nan	nan	9383.37866748166	11952.9816408491	9440.63460401891	11126.9419547589	13036.0816004392	11422.0400307929	2748.71843836198
FA(18:0)	12588268.5498222	1041044	885518	981924	963268	17432846.0856171	17310863.1813671	11619401.0159999	11652157.6943155	18540639.8427869	18118824.6736524	15105494.2841788	13398294.3399229	11040255.7769792	11714532.7667976	11379564.8805872	13443028.8807365	11351933.9610073	11741026.9781633	12237404.891212	12673238.0863367	12137977.6383682	15140012.9416871	13086417.9403622	13734777.7478808	10901461.0160217	14591872.356031	13803120.2926461	12904706.8391498	11080048.4581962	12121287.4623435	17997090.019492	15252516.627998	13814499.9493216	13257656.1263494	10203975.3563123	15310605.088753	10007919.2994231	9904229.8123736	13932631.0538311	11802200.4052348	14409263.2967748	15811994.789459	16146126.6235666	14425070.5426815	13161165.2448137	11331849.470047	12234229.3536616	15271876.2323937	12826177.2740959	13496259.9056284	14198397.8132288	12639909.2269895	14297355.7519184	14423272.0692343	13135236.3896356	13463527.0336376	12585794.4620117	12025372.4508932	12743695.347393	15489937.9251398	14153678.5625642	12538768.7984728	15297637.7430098	16332114.96355	14135026.8081776	13044121.094566	19403504.7224697	16176149.327428	11277683.5521962	16603217.312092	15439524.4696842	1467963	1431872	1309583	1325653	22536231.4534121	20697671.3564258	14502982.0517264	14127399.1164118	21834111.6564212	21403833.9772786	16203740.2884957
FA(16:0-COOH)	24222.0587473272	6048	7119	4794	4581	37082.739373027	36888.6723172295	41030.5554879929	41613.0051409105	34170.0640680895	34296.3649847465	25295.4689922119	26137.1524448079	13045.343589066	24238.2166758557	23988.2238144025	20422.463661634	38020.3840252495	17629.6867482269	30504.7391783533	16695.4399254525	20779.2618453582	24488.0993382321	25052.5313764584	15704.2568803463	11179.267914161	14749.678616878	23903.5614005747	18827.2618749634	14089.8761797753	18266.2580204145	23678.8691512497	26381.4753400673	28542.6933064812	9725.46151420918	15591.6546275374	28326.4069232338	11875.7143629669	18667.5275878962	16370.3626448782	12192.6221795034	10740.459692898	17350.4354566972	24543.1326664644	15475.2301298782	24239.4317047452	23145.7163518293	26239.2059910601	20986.5034813093	24681.0697811816	23054.7217857025	20845.8806136324	33718.2409829589	22019.4878887895	29254.0835046473	27752.083944851	21622.1012094241	27702.8952021372	20999.3946478161	29338.3552030954	20786.7577691457	15993.9462587209	13013.259077872	33887.3526277955	23080.6819662081	21951.0013734357	14439.8451324616	16731.4333722846	14759.216020315	24412.9647631558	21752.6798761121	27659.6257657548	4443	5708	7202	6886	44525.3186020634	36287.1295508373	45911.1939579511	44099.2780173112	31068.6815293284	33128.423165443	29045.766568966
FA(19:1)	1086940.53346785	6939	4860	4960	4730	1849097.54059421	1916414.83055659	749996.362405208	764784.427042834	2011630.36159653	1914405.94330893	1137934.68119254	1102671.23272287	753044.008395138	1083915.87986497	1079786.97530205	1160716.42529233	867697.099901491	914436.699741466	794932.715796289	1055153.1239956	1206775.50182036	1232938.35591542	1239997.65596742	1138430.38584972	673058.920320484	1332718.51275118	1112712.21502179	1139294.60745878	762624.628428889	966075.575488638	1733220.87282228	1220285.58432275	1186888.72326879	1303654.34323264	693206.102263184	1566190.96810013	738421.567336111	623440.827024129	1185525.10711028	1057911.36232812	1266879.65551264	1507537.56548338	1392219.23797458	1428417.30243274	938020.801897714	940088.891959921	1557941.68145066	1600514.102178	994984.761844265	1369580.33950137	1565392.14578491	1364147.4864395	1117540.84695577	1339359.4737113	1455662.03379738	1135400.1976887	1140608.16598459	964971.449973496	1433704.3709426	1788366.15792545	1546388.40969472	1307094.61201537	1823752.44773138	1331300.32921621	1359651.60084103	1043659.99206394	2085344.99237663	1586158.97506842	938584.823009608	1362103.9977057	1469895.70991036	8030	7467	6000	6469	2379123.90098058	2373746.97922601	1050626.41990123	1037163.11029678	2635476.15852152	2589363.87015039	1516643.18787565
retinoate	64512.6459997217	17797	19815	24042	23953	50639.0812220583	53457.530967024	37660.7630645716	39325.8362843399	59746.8697519692	71639.9869562179	65019.3066864072	91959.9935065118	27388.5318851776	59189.9813575978	76193.8778717123	39947.4526474665	55756.8432079976	334085.045368793	78015.0129546031	45469.4738005841	43866.2402658857	47964.50625625	58849.9809903057	36785.1665306122	80339.6387249598	46410.1640470066	58981.6106216348	49486.3835801608	88073.2279733768	31676.450084425	64677.0433218334	70032.1235518527	72251.3856357277	28174.2059140222	35555.9257486733	57193.1809364415	35525.3286945101	47810.9821175547	31656.3221500991	200268.19944778	123662.054192101	49251.3649712286	55788.7316519032	58486.4286149163	72198.8079020333	95467.7010737914	64852.4376599393	66365.0407761668	51223.0803689371	35907.8686034256	75459.4974007663	32798.5050729485	75587.9678763733	79461.1435341661	99498.2213482946	75960.7370330492	34808.2005104645	34845.4347640608	46809.5473138915	56245.0842563247	46719.6429958326	26783.3664055944	51115.498869005	81312.3375116279	76379.6098182327	73134.8483030303	50256.5461092239	49309.3270898309	49985.4394732851	86929.7657430341	83297.9165258047	19718	24243	14412	14343	68313.4192723535	73070.7250767329	45364.8668018433	50605.0292397661	88609.4664941844	87991.9742792118	85908.3231454419
FA(20:5(5Z,8Z,11Z,14Z,17Z)))	3262351.45085426	8379	6474	6856	5757	6968209.42285784	7212123.92517927	4445161.56001279	4454073.5164332	12508011.9045818	13453306.6165376	2753110.20060173	3744283.74502532	2520514.13649917	4545159.40545579	2733223.48072874	3596676.29327713	2377786.14589869	2241872.43930826	3985314.4376485	2272578.85081261	3317971.40016633	2443408.75262271	3042174.20245025	2657227.8357011	2307231.44413841	1926769.61495681	2495671.19006044	4300054.93071463	2671282.79614704	2402535.85379349	4376238.53697082	2522170.92087465	3445484.75361763	2913186.54780754	3320470.92589859	2371403.02079886	3369149.74618828	3673356.07017172	2738266.20329961	3061902.20743115	3005154.3387341	3521605.10769916	2743421.38874714	2527614.04713818	2976889.38745076	1878313.96449393	2186502.67330808	2211892.09335427	4373029.03033663	3563316.19506178	1905162.54425996	5712776.41915867	3086206.5192432	3583597.67389136	4309828.90618139	1892832.38120711	4040570.62686954	2321845.90298103	5972464.85561401	3579710.54568043	3477969.07228415	4483458.14306914	4721745.24803305	3217107.7953284	2405254.08899534	2618544.93665008	2370808.9862047	3758916.25620013	3548463.7057243	3092444.8084852	3756933.46118857	11168	8823	6735	6125	7857378.53376819	7620420.04719537	5013769.79370562	4764809.86125678	13238815.2347924	13038168.8165781	3817045.6678821
FA(20:4)	14436054.2042745	176173	139028	185725	185043	24328015.7939589	24322778.3162685	18122064.2354231	18214361.9059168	9947432.59796814	10023164.1172495	12744997.9490898	15838791.4885274	12918985.2858895	17752690.1741277	17439846.2553931	20157854.6155823	14480719.7848981	17023323.9906972	17764578.6998466	17545738.5995547	17362451.4320601	12839646.1940128	15829351.1727885	15018797.1307791	13119669.7102843	17093413.7472158	18216654.3250992	16187736.5967343	16398036.1600931	16977563.5717053	20200300.606545	12475284.8513295	15808230.0627633	17555799.8926242	13955431.0458935	15702869.3486056	14418593.8144785	12764039.6939228	15139223.5415766	14391706.986417	18068588.9329393	19954622.1462928	12910008.5589766	18074463.6306273	18662849.0057158	14893419.2948613	15410178.1278238	18327397.9676318	15072240.9284039	16675412.0102316	17788079.6225426	17508856.7424113	14799148.7131478	16016480.3018837	17708919.9465155	16145740.0025322	16823129.2453517	15193800.982548	17489365.380183	17903841.1091261	16199832.9023272	16163111.5857153	20055539.1917533	15010582.1485947	18395465.9359863	16056871.0423469	18466171.2704117	18603377.8489334	14353261.365979	13865167.2198606	16825410.6158521	311389	174888	125949	112768	26917456.4169694	26729955.4764601	20007707.020828	20009258.1687997	10681381.5230702	10657531.3544945	17229618.0299067
FA(20:3)	4412229.24159084	28478	16589	13764	13963	9925099.58353041	10155576.5643143	3984498.36076519	4060909.35518233	9214841.10359382	9062922.95624928	4255988.65065969	4489199.37401548	2713377.13037517	5044671.2718553	4514313.41242141	5665395.00465692	3247820.66572222	4292316.22742114	4418462.17568151	4555605.86677775	4926960.06871534	4457958.75001941	4589000.53104563	3817709.53422302	2821160.56245932	4785454.31890469	5026990.78043866	4373458.10149744	4096607.54419257	4729254.27421256	6156583.42605952	4361372.88171129	4535578.20879545	5328513.57503924	2928883.601778	4649951.15346976	3353684.5087435	3097350.51267904	3726358.9985725	3826059.0772479	5339730.02234561	6032427.17709824	4536381.83426365	6056289.06630961	5055114.0935829	3021136.82594566	4668182.80160798	5430460.86657057	3484481.11471013	4791063.14433873	5519235.29403557	5611269.12756057	3884069.95195521	4800785.88105322	5432680.44999117	3981930.54346209	4532574.75667694	3454271.43872569	5114123.34061738	5925351.47337652	4928718.42676499	4639413.46415708	6585415.30377179	4240792.23294127	4834487.41788653	3823563.15900693	5347418.91437105	4786525.74108698	3201864.84731661	4343404.20417027	5053030.96682359	34256	20411	16161	10795	11326021.9783752	11187077.900663	4616682.87384969	4540481.66263339	10468051.4863796	10335703.9299652	5182441.44827761
FA(20:2)	5184367.774004	20925	11959	11299	8178	9022492.28647548	9047470.24290759	5396569.51253081	5486313.86116039	8539081.43637	8537354.8758829	5602950.35661499	5309889.98430254	4181697.30222073	4945599.59956949	4775290.9514532	6191810.77600938	4009058.43579363	4870752.08793378	4573784.33141032	5268536.45902448	5266409.96150199	5632805.03085252	5402883.04310537	5307929.76586435	4100777.22697745	6004656.44358241	5301768.00785724	4898618.08621034	4732385.86933575	5015890.17232099	7062192.83985221	5670210.71079524	5472967.83584436	6272568.59185696	3488569.85645869	5968023.05803994	3641908.94953888	3362733.99646215	4931734.32970939	4521792.9881665	6251730.29640142	6903049.22363168	6052928.28631957	6353929.92027619	5126034.12625807	4049512.80941876	5486511.99681015	6810856.14340759	4862867.57987513	5555597.69314725	6522867.2243905	5537086.82861498	4983249.93315967	5812055.33465505	5666217.23634988	5234995.91167957	4821178.09704643	4014068.29560896	5420913.71285017	6578037.11764356	6008653.25977722	5294241.26963896	6656210.86203879	5811703.19936406	6263613.95840354	5435648.70822117	7471965.76553036	6486163.62916925	4087870.31873141	6021046.00441698	6195909.35305345	19813	12902	11380	9484	9991430.93047003	10318960.9440338	6382750.66312424	6333909.91081577	10020733.5005916	10085699.5210516	6405370.03812032
FA(20:1)	8601490.08766501	44585	19612	18713	15860	10842708.5771942	10772069.2624171	7976628.2760212	8071663.25407238	8704698.14385933	8464933.3371169	10289040.5526629	9259237.51123138	8178656.95721414	7874848.52187995	7534641.6462472	8853701.96558095	7612625.35198456	7534222.51468477	8420061.4871229	7625199.02000712	7504967.70302853	9988904.3585488	9552833.43733446	9970223.88695732	8449626.75441355	10183336.3781782	8831910.21958191	8983372.53974791	7338630.73462773	8236336.6826116	11811123.7753438	10208579.7553509	9375190.00400606	9317440.57269707	7679756.4878659	10413486.183917	7253319.78814621	7899494.46323183	9964277.29397644	7924080.01846	9981560.03255304	9754563.65978177	10995307.1341918	9347349.7188735	9699813.73385792	7315155.9451443	9242255.17560343	10459382.117056	9419663.4999198	10034154.351353	9588918.3173994	9693190.24078392	9733142.388299	9661773.34942792	9093470.25863273	8897922.44018233	8374285.65159229	8003559.61810179	10583168.782226	10467555.0300295	10626119.212613	9350997.01947993	10556867.4760597	11161061.1692957	10749603.9432621	8942471.40610551	11724354.3380033	11753295.9441395	8019817.10330565	11503467.5951987	10682547.8667178	29264	22553	17037	16500	12720602.4272092	12780467.3823379	9490315.02485328	9585703.3590224	10187120.6301609	10150386.783738	11192047.2437376
FA(20:0)	553515.707139996	12482	10385	11779	8348	141683.559820648	417058.000918105	105701.220789799	238895.231732	604648.642934721	569704.816371712	655045.13998941	582143.079581593	305619.362453311	309013.353151656	304696.177956959	383566.15998987	365236.669500968	286644.956637355	144360.43434817	357932.284886709	399655.009574385	589305.112457439	433510.377276216	159075.046912527	300697.371947605	585448.338685917	692617.737857824	461273.406722337	338868.941584401	327730.704697246	1450585.35129658	598732.382076745	538763.420805006	310757.650899774	283776.018013101	685328.809684988	270816.990032728	233120.861944321	503476.709069257	335514.222195968	510762.568724842	618350.466392492	618667.968487856	523102.40117366	474509.094962687	276492.271523927	474592.698867828	512021.200338651	409778.997763012	570353.906965165	566718.93516715	425180.009749296	615765.763008891	443637.211076516	419593.631603664	391231.248204353	367060.493380587	378111.053860841	501179.780011495	651130.150325074	635637.624486426	407815.638129503	558457.194683559	719575.637826995	392253.174202267	271615.430013412	296009.945592475	666018.703274755	289265.072707134	741017.230923291	654171.953164581	12417	13026	12532	12967	554616.25873755	456763.851680803	282754.578911896	283021.469936702	735332.997435622	721578.222362582	680313.027170121
FA(22:6(4Z,7Z,10Z,16Z,19Z))	9971342.72080011	48414	29646	26656	22631	14958686.3364112	14881597.3465781	12408859.0980773	12485318.8991186	8871774.62839584	9018381.20093941	8779678.45571479	10944505.8810182	11050837.2909805	11887181.9328934	11000602.7994882	11032743.2866496	10739436.0648442	9892877.7932367	12200479.2597993	10119708.3079164	11343861.0012175	8749621.88726654	11498755.8372838	11257196.6901266	10773401.314288	10565062.0069615	9187515.16426061	12799899.0150343	11212000.684859	8779504.83387005	11219879.4835738	8634030.44871674	10757340.9049385	11467810.2945504	12026149.8103413	10378615.1171903	11912571.1890924	12854200.4581778	10954287.5731732	11310642.2153921	10787096.5799334	10676043.6803862	9004119.69340174	11039239.9258461	11769052.9178269	9600827.84472812	9849908.24559171	9903690.92069931	12591884.3329576	11639128.568951	9739982.43643916	12526320.2511931	9988597.39935508	10719922.6399259	13340604.9678048	9907405.53246088	12328988.8541877	10967461.0005242	13416029.0006245	11776670.8197172	10969307.2139672	11595906.9256987	12613325.7390399	10356231.8735365	11396323.1791039	12295751.5638879	10784286.2498027	11208592.6204225	12048133.485689	10003867.3558624	11315514.625274	50611	34919	22350	24720	16583779.1808019	16492431.007468	13371867.8043936	13417246.4920057	9361279.78000938	9370801.27987638	11692077.1374486
FA(22:5)	1518326.09048832	7794	4475	6318	5860	2418051.60833679	2633118.13087086	1172074.16176002	1146790.829362	2128130.9489001	2035765.47745387	1497834.97212285	1440231.09556984	984344.685763009	1771348.62907711	1928547.42237168	1642948.94728926	1252039.39299082	1333735.15373691	1484196.58763579	1421894.32712317	2046512.74168938	1445592.23760757	1782954.32716385	1263008.85542428	990586.807140271	1494043.32837694	1619555.59052543	1757631.2565962	1417541.84048321	1293143.15600821	2018272.71220911	1424770.24352924	1556384.19065718	1575122.89704008	1141714.38719004	1992283.78416177	1259186.67551961	1406481.40300313	1361657.76813511	1396456.37023416	1613697.69410423	1896749.0675239	1620774.1469735	2189922.98547136	1945521.36245095	1337833.46700307	1908338.38736022	1550433.86974266	1386033.02922426	1900276.43157039	1894444.02514747	1949426.22711484	1299411.97522481	1565666.0914081	2278417.28434846	1347430.09477305	1663979.85420294	1869044.16292056	1913164.83834819	2313129.56389999	1686681.73101508	1495099.39136637	2583782.10533773	1439469.14636424	1580494.30380089	1425306.17530594	1746898.73019286	1428311.1180689	1271711.97566249	1480116.12645929	1731746.89742621	11467	7002	4837	3734	3052954.57256479	2956220.14491359	1370766.23714074	1339177.35893785	2548618.84531228	2501681.69182376	1702008.26379762
FA(22:4)	7135700.76037063	35166	22793	18541	15396	9580701.36700956	9463004.08048968	8402035.4034181	8425316.04040087	6018992.07420691	6036877.30523515	7491452.641469	7293185.29024156	6367333.28330685	5831811.41361542	6468567.97916084	9288599.86843027	6326499.35332421	7324457.79261188	9762441.3115081	7373453.76870134	6766659.64752701	7612268.12099928	7171487.319353	7383322.33190193	7049051.53052671	7485399.13353398	9879410.44671	6399503.41387764	8303116.39678432	8377049.36602193	10276717.7325846	7558700.98306759	7511364.01535655	7564784.91540722	5699171.91101222	6809399.39345743	5988838.20021923	6768023.39584798	6401225.71708764	5888479.45375561	8844820.03155213	9154028.4294932	7954867.10243162	8266433.03610479	11128268.8903577	6400329.78984534	6274595.05451761	8110803.59491174	7840090.26171174	7406609.73985079	8381585.56571265	6607069.8330689	6820584.90115086	7664632.74594597	7208684.54081492	7934676.51726992	6878855.8552755	7020495.12785697	6425964.90578958	6959745.28932783	6490660.55073761	6224296.70276356	7286867.4065249	7708059.02023682	9016272.15071437	8475333.9991157	8855488.07222657	7692051.70120916	6737426.7368571	7971799.87965856	8098321.35093642	25374	21180	19489	16310	10549828.4551432	10550124.8810725	9306603.87406749	9355933.82351117	6921162.42539833	6973970.71943812	8450595.06918094
FA(22:3)	383455.758283337	nan	nan	nan	nan	432775.56510324	438928.152092359	294572.540799114	287938.616461914	444978.960015506	443301.843274315	420655.66823341	384414.49030387	295014.173297377	279221.369436845	306834.407145794	551858.375576092	288801.696595146	364529.109932109	516789.177991761	375775.658416402	329940.722751229	421193.823867448	364800.571826061	361799.929785766	286755.827608117	418168.056953949	596119.539002477	293533.861904915	349023.556057913	489871.178486859	838647.941748178	402121.868732451	399467.650523356	388548.62476473	229663.198106883	397728.821778208	228568.752413892	249771.034647162	325734.373056353	272974.367336122	482716.959284782	557022.072287284	446682.746909095	486464.304653616	652030.94555982	277570.4068614	383014.059792844	453098.989833294	345810.181933522	387435.145482004	502344.198273968	346682.399748165	363756.857624156	400184.529562724	374613.05170145	369527.33219142	292282.513776113	293938.288964915	324640.048896674	430977.066393568	372696.472653111	318374.997618981	404967.788995787	404796.942664152	443881.020213759	360337.407232065	604235.65104974	407332.070789027	274702.306838341	414914.01605737	421740.287971946	nan	nan	nan	nan	487983.863212841	482345.696122199	321030.653421061	320155.57213163	510244.130355704	496763.938427083	447504.552483294
FA(22:0)	58206.5968357827	3265	2496	3153	2547	45415.453502676	42660.4605306738	32010.5814101212	33628.1999864707	30486.4150094257	28373.3238781394	56513.1971955358	63257.667822655	48445.7633422145	39599.3329666449	35592.5498596687	60922.4814113823	80594.1602670283	47167.1486440269	67516.7529426899	35660.4135518656	49574.4360642617	56375.6934259976	54245.215639671	79247.4498453	46429.83306165	68776.3465189252	92592.3307809279	54767.0121224187	48734.0704512376	53346.0131318585	140188.177241481	57413.0320121528	64625.9666316249	55141.988686024	36493.6989762209	160668.269408689	57795.4510354744	42101.0549200636	72969.3438193982	40239.9763055112	65491.3061316625	86481.8941178067	60365.3396949448	68622.1421790859	16264.1155743419	51157.2229182661	53315.2904125698	76291.7758425283	89789.8674435324	55443.0660764005	60297.7994127315	53984.2777003008	58547.7644985921	70412.5814894119	42664.2653618493	53460.766644678	50263.2832454992	56955.6079544806	55303.7628728756	72383.082915448	68381.6225515151	46774.7531230145	53802.5641696248	63806.3549143274	53475.8973716679	45796.9994105902	23989.2665271412	111719.468644965	38082.0109735684	67445.8469554583	75870.9449835895	3989	3119	3173	3108	65769.8722966757	49759.4124670886	38082.5262650244	44940.5548655352	40742.9166702825	40941.8113002007	78582.3541709388
AMP	3556212.84584285	nan	nan	nan	nan	12089812.1604257	11993866.5940733	9040185.33057871	9060290.02213487	4875948.87096946	4868711.31118384	3688931.41109657	3703877.63255692	2151176.48612131	1461331.70496185	1714694.7376556	6834922.40605648	2919964.44928788	4590199.52027214	12590969.7640406	3014803.47612641	1280474.00691629	3581977.85110149	2123287.00371837	2933933.51529089	2378942.28304895	5425190.13182169	5310412.80026158	1572257.78534948	4017586.9433517	6093711.60632075	9145613.34222799	3684266.30553449	3706374.5665336	1635909.97296899	3703190.76485262	1402817.89888488	1091963.24182717	1293717.88036098	2434896.51320732	944828.448916832	1775496.42871807	6328562.15745476	3546134.79855801	3378232.52556583	9992188.84277339	1521382.8965975	1632465.3729873	4440586.49523947	5734297.1346613	1721656.77520163	4498902.01071699	1677628.51690916	3648179.37386742	3631960.91736262	1428554.94141297	3810881.10694	1863105.80124748	1517080.93051316	2155128.17251808	1475528.44495344	1473071.14198852	1269275.725373	1487722.35179689	3567184.75268982	3475624.05973827	995681.172119321	3622581.13707717	3235982.98991713	1827645.10755029	3631885.94245924	3604711.39391879	nan	nan	nan	nan	13073442.9675292	13007305.1622072	9724701.66022362	9742142.3039456	4817988.63611232	4808583.75762829	3659972.03720758
FA(24:1)	532036.142512812	3119	936	1127	1084	411365.66044781	410277.825137478	404171.984304263	395065.517074631	157090.84590869	152782.10671262	595294.497811539	619570.894401311	671034.309129438	358919.118038974	338361.58543786	534113.3069878	414891.753661995	469356.42797147	726296.126041732	467257.771828172	599362.713278104	584091.915084462	524124.020993649	1213774.27014266	871612.652286617	885223.876127472	895788.390233598	549241.16882174	396433.021353952	444371.037229369	1977795.02989211	614430.259794651	633922.438627241	589489.918383413	535052.181184849	1013080.84427118	450646.701588689	470141.183248636	677296.599952657	339763.749135254	641642.269286544	846760.261806908	644260.948841542	777661.603447892	1037765.42609872	459168.044979483	523538.263645187	976159.042494732	673220.525649103	753661.743537384	717776.014130983	688675.347990356	581091.149092776	675509.123491512	447721.780073663	564196.736964118	466735.904866051	665220.578921331	641858.951132132	659758.067842237	711968.645835204	456260.626470737	579480.796215584	659283.019957696	757129.229264559	593440.240790515	1488683.72418926	1237320.47502387	403674.928837385	682171.576858539	747698.107775985	3276	1716	1357	1086	596884.249323149	551020.442945558	499374.952892774	504335.274245743	204252.067890279	201282.180846701	811608.360562659
FA(24:0)	57065.9099811649	3916	3420	3262	3348	30352.0336111916	30818.6908904455	31156.9248152811	32451.4392870787	34028.0500452705	32349.3343188879	61864.9264179247	63059.3934230051	55664.886255354	37110.0520593865	35479.3902265068	54879.2876235371	150307.24498407	43199.2511467089	76706.3331244346	35932.4826881589	42348.8286299092	64179.6019270699	71191.8438814768	102221.696360326	66925.7447422733	65749.9598983499	92960.9762376181	61927.7257394943	43445.776575327	38745.2331690823	179564.270872498	65857.5497994059	68988.9731813587	53156.7546001602	46143.4804335851	504275.163366048	76561.4225254996	48820.7672688685	74949.1673175852	42861.3823309042	51711.9580174521	89667.3381263265	70897.4965183972	64900.7273769554	103598.174856446	83174.2263178649	49400.2174610007	81091.5100886767	93919.8791689873	64774.780460718	62793.2697389264	53417.7501900001	72677.1047709436	71110.5996454407	40876.8636204232	45661.0931305016	53057.6743186015	64256.8669429057	46160.79359339	64438.4026332642	77606.0508180674	46119.6714765807	48668.4216612323	79465.6545247383	59591.4507442373	54440.9267309895	95276.4964459923	115017.902787333	48223.3984720138	81085.5660277387	82150.987132065	3808	3907	4324	3979	43536.483308085	42545.0086786929	41852.0973913392	40602.7006972661	46055.2761716638	44838.7099489935	87711.6852763253
sphingosine-1P (C18)	80251.9667287665	19995	4408	7122	7416	145507.246738031	113262.153090915	54057.0234160886	55051.7723998498	65289.1018526497	59505.9444343456	84468.0997036947	89630.9684956843	67476.1500928222	59888.7716733336	85979.4932520959	166027.864063361	143109.140438907	164243.475101454	219515.841343022	94305.2284971105	83278.893333629	82970.2402562682	116811.408689417	89919.5827268002	64966.0160808072	122061.70919155	148528.54714258	127382.681958097	91520.2442056521	145248.773017077	187698.552476911	87247.5878832371	99431.5373863513	43767.4113325365	70264.1210457428	127226.969180304	55736.7652572423	116940.154276698	75999.5115427237	72938.1820739969	93153.4843402719	83818.2072531555	90389.3805572106	124125.598515939	221103.658783805	82967.2300896783	96383.7604251368	128360.342384048	231520.876691277	94276.1753766247	133159.627394411	56588.76789351	80861.0485997637	86873.5186929123	101865.807514857	102043.562163146	69879.3881035131	101784.532513585	108717.141140866	85299.174136881	70969.4514182012	80512.9386464762	91364.0664747759	82398.7301914262	111321.778275488	68882.1790226169	105309.0970215	112494.899719747	71812.6830395181	77320.3952757714	80168.6178370528	96511	45764	27918	17769	94260.930467881	104781.115308254	60041.9859165724	57103.4089717162	59109.2331546212	55826.7214563305	80404.2717591072
hyodeoxycholate	6044.19842025026	nan	nan	nan	nan	5911.0637088036	5731.78080384506	12700.4211167185	13178.375368916	7955.78872106904	8752.92128171962	7307.57702330079	7908.13307621034	5824.37569815623	13105.3139760712	7926.75633699464	6186.42377697478	6732.65895542378	5776.72803306633	9118.87832469929	12030.305810987	5798.72917846323	7488.46888244328	10306.3226956105	5991.86845930755	5100.44764266473	5540.30842968056	8334.11153153934	6106.7911020044	5199.63394272556	7658.04516861676	12742.6388668884	6270.91102752265	8170.18590653887	3707.71051816306	5272.57088222756	11808.6153534652	2940.21079033453	3362.65148336281	3141.1091309711	5053.87119514691	6585.36538081536	5691.83014841802	7430.70153259482	4478.00015420801	5529.04649147042	7471.10346946577	5920.97175731271	7869.23722053476	7893.6792395045	5279.28620011604	8842.05447110573	7263.8931351066	7354.56706078303	7824.56288349882	8306.1180041336	7011.42665480378	4764.38317536339	4609.38532601076	7206.99603860268	15988.4693885847	5065.77917861522	3192.30597494155	7829.55629390415	7364.25827295409	5581.76603909641	5908.97903219667	7706.8892403899	11314.4812462461	3306.71870327404	8358.78992497043	7832.44419690247	nan	nan	nan	nan	6056.45847387894	5956.24665712674	14956.5231864672	14429.8760108606	10558.0975455609	9135.94474447972	7304.35019841306
chenodeoxycholate	16217.8881222355	nan	nan	nan	nan	6546.99875142255	7891.46344897347	29964.271016714	36953.783326623	154624.073907742	148816.090212653	16184.0218058792	19939.287062226	4433.22333962693	4231.34311286165	22849.4568009813	3418.6778374293	53254.1991773781	3554.95869740592	17376.1329524497	3963.82148765648	46168.8163337848	18201.0443904844	12438.8293413975	3521.4904507285	1683.16867953488	2491.63726292237	2131.59464642032	22089.8496755799	2105.76039275715	5475.16626033423	22012.2050039354	18553.3130731534	19566.6923543464	1676.88921720841	6724.1726550347	33211.7620395036	22851.1394358372	5312.74967599081	4660.33924644694	4598.55944745983	2249.62515727654	4380.36850033389	16938.2827668034	35434.3409420255	3304.89516060085	26067.4287655485	113207.254476657	6409.82691599268	5291.54440472071	52513.8283772873	7127.78688479891	7007.55903366256	17258.428978082	19156.4923938393	88088.6977813858	7273.30872040013	19137.0822540259	25516.8926508274	6486.21782429393	3926.90225763172	2545.40745210369	3503.03040295274	23170.0547198292	17873.2997849572	3345.43050179706	5325.96808902334	4895.32564306624	3236.3023690327	13389.0923710318	18196.205676652	18210.7897587668	nan	nan	nan	nan	8577.44756963073	8025.29148474412	35155.1617632926	37679.0148426832	164203.380018472	163488.516795953	21680.4860322047
ursodeoxycholate	41869.9687692451	nan	nan	nan	nan	10991.5261119511	10476.0890980348	21525.259519659	22695.0516910395	576408.976360166	562113.56949247	49007.4617765131	45120.6182109563	12068.3079887766	83617.9444841115	92442.6106581981	7916.37497655903	34249.7867391611	52208.7096617985	27412.4172350097	77845.2098536741	86913.2253206591	46371.4088397588	26620.4701761298	32637.1677963499	34618.566613128	13613.4685055774	10895.1663153191	20261.6941068709	6809.35353475045	14167.4307930078	23169.1486620029	50026.463538757	44802.5091870097	47413.9882933429	18020.8283668864	147422.034189162	13238.7423558171	13417.6006937185	10732.5575355133	17062.6991386047	7418.5949061838	7749.93440668466	51837.9307379729	23217.4262726362	8434.07233531543	75507.8755941252	181830.285673572	14667.124170737	13599.3386441806	27963.2061588961	41628.3526208916	19977.9264393741	50500.7764406001	44674.4296417044	40648.2877863233	14494.9708114426	18388.0597685778	65024.0887785384	23458.8997384033	78559.685661176	31434.7528460811	11977.4314729106	26507.7552325093	48615.9677189131	8556.11546650344	11926.3532966398	10517.5017031973	16646.4134377511	15828.7556483206	49030.2603303989	44409.9084848299	nan	nan	nan	nan	10569.0025101805	10830.759901077	22103.7560308963	23872.5236783083	596997.293437036	593414.779503199	46257.5629209187
deoxycholate	44397.2045928187	nan	nan	nan	nan	30017.3136937877	30912.2133221479	93553.9828503946	97678.338508359	62713.7472700957	63199.0515235313	38608.3193939974	41636.6071346808	27478.7623964609	76146.7988524015	60401.9754525026	30890.1961739147	59698.0431392261	35527.910396636	76152.6791944394	49763.9183838283	49969.8253518558	40022.9165902233	62397.3714647027	30621.9818555902	27217.1291862166	26298.5102406378	31530.2775994284	41585.6926654531	18590.7953585474	38327.1736279944	93871.403274847	44307.7298169237	41851.0925434037	25338.133984204	30218.0976820845	91245.281526562	19919.4939126189	15947.6706530136	14732.6488444272	28719.8311966749	27111.0828155298	21759.88138683	41578.0850326434	42485.1151407109	21033.5370211684	53765.6623407868	84242.2037062357	37043.0398933423	41734.6322166836	58087.9638523396	46808.4254874238	35917.6295593101	42935.3021420686	46364.8295169291	122608.779979739	37579.2880868611	31839.1553637499	28675.555340036	45534.9950518861	101270.885529445	22124.7243536425	18169.1650125084	77119.7164084031	46515.5786091696	24288.1801606612	27682.3817529003	42380.928987477	58767.937327056	29830.5308303569	47773.8852077528	48087.8827220297	nan	nan	nan	nan	32418.6994757697	33147.6127117742	98206.0070690755	97931.1557227657	68892.2793471591	63135.693011839	50162.3495124313
cholate	137662.218952874	nan	nan	nan	nan	91014.1328928606	87676.2631728086	532099.256348331	544244.623009964	802088.572731458	800213.260456753	145259.468905131	152303.209101311	6387.49524784772	9273.98327534026	49822.0990704731	16385.6666891957	850454.900826211	3306.7618859102	67845.7201321627	3440.11528459389	466478.172760621	138439.378513525	52185.5906340185	2777.5889725351	2689.32025405882	10123.3948278515	3448.78915786043	327162.81741212	4507.79267133339	44084.0756660183	129444.907038068	140888.30650312	152369.536039206	2539.62126409713	17605.3264756492	456992.99625789	178791.67532525	17581.7991740425	10950.7218533222	35430.7958146563	1487.84176679289	8937.42241697875	139180.92932247	510174.024116827	4903.80091968443	65044.5119901173	1106587.79917796	26815.2425542771	5617.96052261656	487014.201469874	75541.9838147537	10402.4322203887	117087.283704152	151237.951471113	1195157.78869896	90438.9461370466	113542.85961282	94674.1348278904	19478.6369557197	4482.84812585076	5064.07743097101	7900.51975870336	333059.519695602	121985.759037012	5556.87312972454	28021.5945474296	4325.47066244323	3121.84910236095	74259.0039677034	120964.822858167	149486.937669701	nan	nan	nan	nan	90647.0846598529	91953.7963453524	548464.026801205	549043.348411225	827305.733967799	818738.194150598	151018.003423717
beta-muricholate	132339.298020967	nan	nan	nan	nan	89081.560403385	82904.5860596459	525617.218907368	538218.867610455	779100.938396181	778304.964271065	140269.702262934	146388.531240986	5465.58871723052	8164.01595980006	46888.7377059852	14838.4016249736	826625.716377725	2714.99132225665	65598.8527269397	2565.83778338263	455392.511507916	133830.318079442	45140.1147072183	2461.83222999257	1792.53298111357	8531.77862948281	2843.53458283623	316386.183991622	3803.74872761277	43137.8877674692	125980.395812364	135761.241801405	146182.328409591	1775.09494592402	16190.3476975214	445985.760418263	169725.827618136	16532.8582527927	10608.8655374546	33278.1248564269	1191.53429628753	7785.39265051183	134753.314630185	501623.482414273	4057.63017653186	62568.6152211799	1081450.21889803	24696.814393818	4689.58221327641	474049.373953982	73856.3441573154	9823.02908485389	114245.749592921	145880.662123592	1172937.95313974	88361.9106608056	109617.276496166	89951.682229094	18714.0057966048	3483.21468972615	4590.28940522229	7450.61866058161	324344.540569211	119228.275756974	4843.00393053392	27162.1100391047	3740.4195490036	2559.39304900262	70821.3369623236	118064.58785543	144630.590403588	nan	nan	nan	nan	88469.4979578346	87238.2727135752	542398.210386746	542089.282862637	806296.178224447	798540.452935289	146333.228658852
omega-muricholate	10905.7839561955	nan	nan	nan	nan	8170.80526762002	9919.06946051538	33673.0778913638	38299.141138479	93092.720021008	99267.3020640361	8989.97729144156	12226.8946683392	4655.40283238793	4585.71822407276	4953.50446064333	7489.20414637351	17833.8012927927	1373.74514504165	33079.8330928405	2693.03549629884	9110.70751450042	8171.10461649125	7433.8529428156	3236.27633919203	1858.80574644635	4799.54083467409	7738.61582845762	9813.96603098216	2810.47957644263	11290.5814753704	22364.1205245322	8879.60855693717	11450.7535096973	833.676020904198	4868.65706930239	8216.90096541782	6550.14957334108	3301.78265292932	2734.21531309952	3790.23856334422	5046.04290723445	5658.15411026506	8897.46456507521	33998.4194069382	6203.62665362172	5140.93716130467	16611.397381936	5296.69284985989	7393.47562275554	18393.2824080963	9513.73367552591	8150.86249084883	10753.4532417689	11042.2092666033	50932.0544008831	13532.7900649256	8993.56868263883	4796.25042676133	8378.9716216755	3185.84783157752	698.887181228925	4224.29847688429	18362.8378932849	11838.0077307194	5741.50801416429	9868.80535133264	8528.04464409713	4974.04428596833	6904.48822766854	11652.9055574263	10784.7185718252	nan	nan	nan	nan	10967.532785063	10496.7689851602	40260.1327970003	35704.5393263535	103952.290955544	99278.7059871713	12350.4419821026
alpha-muricholate	37999.2998499535	nan	nan	nan	nan	38199.3309975272	42993.3382293449	97902.6987420559	111995.36668941	269485.273620673	262027.266135606	33013.7532195349	42006.2538304565	15280.2230025324	12087.8303189432	14049.341548723	43592.6598687413	75844.0095233224	3158.82267712086	132199.013899273	7832.0619258172	25939.4710747982	31311.0619181907	35981.9470344469	10472.801362464	6327.10527932156	24270.2457772557	36474.8410834739	44665.4123916467	18271.4640807754	50000.15339431	117609.615798785	35099.1165956476	47061.7474058461	2451.76632928528	30350.3602848544	20902.5880395293	20415.2547601231	18137.2222498987	15910.2656629282	17618.3139210248	24341.6077138198	36192.2228771649	30126.3705354532	64566.2378315809	30618.1892022355	11172.0856231201	48557.0516552561	36566.406151763	44022.6869720587	66164.6058731698	35956.5526423249	44825.1145169331	38278.0736849003	39754.6099162125	137437.119677678	32362.1488563659	25760.4917357443	9554.78487108743	54184.4071916221	7636.42410658595	1395.54426193564	18453.369232269	72708.7601567813	38807.5802359344	28377.8562955809	29619.9301064104	33904.5143025781	33034.3200191027	33851.2208515704	41332.1501283954	43917.2621100834	nan	nan	nan	nan	44290.7147086179	43912.7865707945	109328.365289609	111300.261967069	285920.516365903	291406.050996785	42274.520435248
glycodeoxycholate	8540.03552654325	nan	nan	nan	nan	10166.7947801865	6437.3941025333	7233.16530785304	7789.17743593557	29475.0855278391	27280.6435314062	12193.0409651855	10194.8830316747	2966.93368620103	4890.30773105279	8459.09145606268	14456.6748108847	9591.20733997639	5611.87608817192	11861.3371157111	5060.61225777811	9258.92871870038	10858.2201533593	7454.48213367476	4120.64063670986	4191.99055310331	17395.6913755141	5849.58030940145	9603.66974973377	5367.39628234106	8337.22790899366	60959.9671129906	11089.04093984	9319.02126963212	5176.21657135949	4585.30719095134	14901.6045404635	4493.12530318849	4150.89426756911	4709.05566828414	6236.40596823679	4676.47524568033	30293.8664598687	12773.28498648	6546.08782908358	4490.2084664217	4597.6759850002	9188.96844956308	19194.9400783361	4527.11008349276	10008.4602335345	9501.22564901924	5878.41480856269	8468.62992903346	12091.3786804715	12997.8665858676	5471.74549575796	4117.35612799224	4660.386875547	9164.97699045184	4601.79027151365	3371.05282369711	4999.21689776582	7545.25653653033	9420.53195842165	5009.43061458027	5174.19365254364	9681.31812504373	6031.39416459362	5231.91635112853	8400.19284699835	10738.917411364	nan	nan	nan	nan	7266.42573224995	7369.78836902576	6614.03844226431	5882.61154299868	27444.0453855528	26288.7079043156	12513.0594053851
glycochenodeoxycholate	10406.2686307268	nan	nan	nan	nan	17155.9770270738	9687.46247008909	7528.89628528349	6162.69093724538	27916.7949545265	27772.8784477103	12840.7166714831	10044.3192917877	3456.25488526423	6153.85110928201	14069.8443529561	5038.0516131482	25522.4791796069	5385.82162481372	10564.1459937791	5004.72697155536	15363.8355082113	11535.5150738164	9515.35168102927	3790.71362588342	3361.4837010996	8285.61165684153	4724.58457201741	10870.6268829001	3584.9214239264	6211.82990364177	17025.2184906942	11918.3418415603	10085.9464985079	3360.75045132578	10877.1578857336	20153.9057857905	15210.5735816743	11287.7919886094	20200.7430129938	9536.16790614397	3202.53499725963	7484.43163315382	12907.2490068327	8586.56291529829	6196.80099956017	8211.30146162178	12692.2689827573	7768.57343674512	5126.38940725235	18139.7746107247	5728.41659597649	10469.0452751455	4510.27549151455	12376.6599692226	20746.4804845736	3744.18084108389	8249.35087696573	9088.86104471224	12744.3666011235	4026.32510117749	4654.20277813511	11545.2810274839	10833.8866019307	4587.07206758148	3235.58963859733	4891.21494889137	5345.05420255485	5215.68083005593	6873.62549007052	5051.15648740646	9304.72321484869	nan	nan	nan	nan	8052.57334108991	8005.59444432362	6107.92396595382	5310.61308981864	24939.5754874493	28409.5696888784	11306.2970465477
glycocholate	151774.189978174	nan	nan	nan	nan	84011.2326845227	114021.177173317	61120.6135080093	63535.2420519924	206287.816008897	209241.177079751	149137.265704205	170577.593714365	10409.2715016314	67563.4849994094	140796.981952024	65257.1787447442	436516.348644422	18133.2263424453	151410.511915629	24360.672516751	200522.610295262	138926.456350916	136695.793178084	18923.7524769247	27354.9770230107	192724.605432364	51127.3262789528	165140.364275591	82749.5854350118	257181.43981124	399410.080448128	138510.054010144	159958.218258541	17154.487353221	183306.450058886	432402.537824801	195971.067838492	204122.979084573	531832.535077938	331544.424494847	22337.7608833307	213025.068877758	142274.638941847	123779.10983567	151285.45761461	244522.927602427	195016.380279258	89730.0813249603	14330.6029858982	308236.209764334	50946.8408514452	229722.715429457	155405.667377075	164415.384627607	405702.183328277	37078.9856770986	120066.570464234	147833.47786474	376635.116712519	18470.8464908477	55959.5223777626	352930.530277196	346911.346102657	167522.873768302	19643.8288307193	40783.9652622015	47264.7330526804	15027.1813116741	172992.27892291	157694.726090466	170342.500221695	nan	nan	nan	nan	88814.1891775945	87121.8990917287	66506.0785147369	62819.7458765051	208959.22418932	206731.627075918	171278.977902673
glycohyocholate	155049.304001477	nan	nan	nan	nan	87477.7536154161	93977.5188223885	60935.4959430804	63839.3264637827	200897.573342808	206352.549335851	149506.702960608	177889.938757554	10445.1120977193	67277.1447188755	143021.972242453	64966.6538272308	433374.033869629	17899.5534459203	149785.516462383	24087.0153300601	199423.042146961	139973.379129904	138438.789040809	18395.9904893026	26923.3442279557	191994.325419277	52701.180612927	166141.906850014	82633.2691596514	257590.056851288	399607.46720108	138785.321875409	162241.518082312	16448.1261092648	185043.097012707	427892.649537049	198536.084394103	201465.372710331	531961.599584982	328283.207251392	22651.8259829297	212616.808748224	143633.316487356	125205.031169253	149932.738905681	245763.149774192	197602.004637086	89200.4120399743	14210.1777507226	306973.607539688	50777.5361934667	230715.502160686	164466.612000259	167889.384408068	404540.584111242	37316.214647361	119761.266909263	149516.021342911	374710.310344893	20596.0544771405	58230.1471561403	350874.632008338	343719.370484969	169401.431711749	19020.8499552822	40561.6666645033	47196.6176801237	15132.2297654433	172022.618407862	160175.960482662	174167.780430479	nan	nan	nan	nan	90795.7364786024	88705.9336206693	65257.961175635	62347.8708534245	209254.18450456	207645.88960575	176012.220440808
tauro-beta-muricholate	177107.631096776	nan	nan	nan	nan	295970.201216592	291878.426602268	64092.044053749	71557.1311653871	17200.3861675345	15715.7348787781	185522.182239103	179720.999801613	164316.031726642	122344.029511714	116401.711583843	99478.7709027941	190403.451876793	99619.0468638316	325273.296456412	354995.378886661	78718.3168599625	185516.196617847	36580.4563887369	106442.133092005	95620.8543469676	80263.9838025213	574685.521968008	54324.5666272357	150996.718753258	566552.472432088	167043.703230875	185215.21234944	184808.153038206	51196.8639281584	69742.9516631992	178426.156880259	92174.2893878755	53707.4501235532	118407.934465895	84932.9357490768	343340.50240168	60696.0363662493	185689.606076441	195646.019218363	771908.237124798	140973.426692501	82863.2760782659	54944.9577827835	495390.508329071	113405.491170207	146438.881073499	334052.73185505	188344.136750294	191403.763864133	1077773.80538986	459997.562388172	414295.835398814	53495.7629728839	126484.928741623	80417.5698378827	65541.0333948818	94415.1116842205	182890.516731505	193513.889038063	185509.552938119	229103.885138493	78247.0587488601	153946.183860174	209134.276911587	186558.5395396	196518.067746868	nan	nan	nan	nan	327993.141799644	332518.231787748	73374.8412699794	75542.3001019982	15441.4277372685	15835.5886892199	195150.148798892
tauro-alpha-muricholate + tauro-beta-muricholiate	283234.167022548	nan	nan	nan	nan	375467.717012477	372929.845346768	127078.751770497	127352.457962957	51535.1717071759	46961.5277365349	296483.140438118	296114.173146848	246816.045173902	228981.261256949	299480.814393206	157815.634088839	414497.427300125	167362.686626838	475209.231036146	468309.485722618	245690.685825223	296469.787448575	105511.556462884	171453.770476913	147473.073637367	145980.258701964	722108.847050736	142372.266139095	212917.542889447	722391.739914999	280523.667747071	304876.663575697	300918.803040049	91162.3716130997	195187.911729714	378336.968647645	215922.626820093	180762.251192584	303064.679813088	196297.779988144	451198.523137054	98203.3884704139	298058.924874867	286760.525221028	982319.195789964	330494.576539519	256395.099365039	110105.903606644	659908.470918942	284470.826836729	211506.274516936	551572.471591279	324898.557303536	315060.759696511	1715000.52018552	597927.245678887	646773.136625135	154201.046410268	297550.904170184	159908.206853177	129594.393778891	228187.485940237	376936.294564204	328638.788786107	247516.408938624	325637.73844978	149622.209150436	223583.911427713	426589.111105584	317083.472261812	319868.058332168	nan	nan	nan	nan	432069.585570292	425122.258026156	138125.100960735	145214.730362567	51572.0386602394	51720.0161569379	325844.436346777
taurohyocoholate	283421.864186359	nan	nan	nan	nan	374670.326138906	370814.408603587	127023.279500796	132099.617602549	51573.8358451218	46963.631724068	296904.407621844	296056.216014643	247796.367440906	229055.114268159	299624.735868392	158287.809251594	414724.270959911	167557.775823646	475614.527214026	472866.91259855	245870.983340366	296989.644243046	105692.668682195	171803.778798308	147925.112750559	146441.322124507	723224.290037168	142472.679301123	213077.890755966	722569.465710244	280595.734667643	304876.663575697	301017.299847668	91229.9540500653	201046.825411643	378361.38906091	216031.206283916	180962.199012902	303358.99319761	196801.61856254	451462.257800518	98526.1202135022	298407.061892957	287035.378878376	982536.512593727	330661.050112419	257276.531535075	110610.966551181	660808.234828336	284774.480415062	211968.122756411	552405.095356418	325013.991405988	314743.572034434	1716940.59809766	598848.384067995	647084.106085384	154433.632023962	297923.228008322	159976.630960035	129916.312956657	228580.748657835	377908.894577553	328638.788786107	247730.347999872	325765.352266371	149829.527819577	223843.338832169	426667.902217481	317149.107000205	320131.477759646	nan	nan	nan	nan	429914.874966695	423275.778813989	139706.649278655	147011.366924728	51841.0457003811	52360.667566564	325984.649676007
tauro-alpha-muricholate	94886.8884891716	nan	nan	nan	nan	69219.464754135	72326.3857955704	50748.9086621998	54673.0838578522	27408.7496289317	25510.3228424212	99091.8575468386	99970.9690952605	61901.5626928933	85982.2822276774	151433.956463778	40493.6122987793	193575.023045381	51820.0259879182	128540.166589903	97923.3816239823	136160.472561629	98533.5558808914	64250.6127785823	54281.2599476579	38689.9652042096	53399.144517755	119482.323305171	71594.5845255026	44423.7923704502	137989.942728638	92924.9950385199	106133.267119607	104919.201503504	26337.0868806014	108044.129358334	176093.476534965	103883.670773608	113909.54044215	165534.299175168	94672.0940939103	86696.2035155942	30719.7724694668	99761.4962072303	69633.396201404	173936.380340911	155256.223042645	147805.90055225	37376.8395931881	127411.44461621	157827.97101672	52763.5009438787	191008.827379203	104527.641092811	111811.217125653	593313.776466188	111817.778601063	221866.416472971	81923.7271757611	155121.259648393	71114.0295585711	57650.2702933603	124483.679850139	171715.496262094	103032.68468897	46844.8949655215	79272.1758636345	51901.3061970854	60311.4213804579	199072.759855339	105361.189348036	104442.215570949	nan	nan	nan	nan	84313.6734114616	87591.0685654001	57185.4012053146	63171.5413761391	31614.1521722451	32044.2283233338	107600.327439398
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
lactate	C3 H6 O3	89.024724	90.032	Lactic acid	1.08
2-hydroxybutyrate	C4 H8 O3	103.040224	104.0475	2-Hydroxybutyric acid	1.87
3-hydroxybutyrate	C4 H8 O3	103.040324	104.0476	3-Hydroxybutyric acid	2.16
serine	C3 H7 N O3	104.035524	105.0428	Serine	0.59
maleate	C4 H4 O4	115.003824	116.0111	Maleic acid	0.74
succinate	C4 H6 O4	117.017624	118.0249	Succinic acid	1.6
threonine	C4 H9 N O3	118.050824	119.0581	Threonine	0.63
taurine	C2 H7 N O3 S	124.008024	125.0153	Taurine	0.61
3-methyl-2-oxovalerate	C6 H10 O3	129.055224	130.0625	3-Methyl-2-oxovaleric acid	4.27
ketoleucine	C6 H10 O3	129.055624	130.0629	Ketoleucine	4.5
glutarate	C5 H8 O4	131.036924	132.0442	Glutaric acid	2.67
aspartate	C4 H7 N O4	132.030524	133.0378	Aspartic acid	0.6
malate	C4 H6 O5	133.014324	134.0216	Malic acid	0.84
glutamine	C5 H10 N2 O3	145.062024	146.0693	Glutamine	0.61
glutamate	C5 H9 N O4	146.046024	147.0533	Glutamic acid	0.63
histidine	C6 H9 N3 O2	154.062224	155.0695	Histidine	0.59
FA(8:0-OH)	C8 H16 O3	159.102524	160.1098	Hydroxyoctanoic acid	7.19
S-allylcysteine	C6 H11 N O2 S	160.043724	161.051	S-Allylcysteine	2.4
phenylalanine	C9 H11 N O2	164.070924	165.0782	Phenylalanine	2.92
phenyllactate	C9 H10 O3	165.055024	166.0623	Phenyllactic acid	5.35
urate	C5 H4 N4 O3	167.021124	168.0284	Uric acid	1.24
FA(10:0)	C10 H20 O2	171.138124	172.1454	Capric acid	9.71
N-acetylleucine	C8 H15 N O3	172.097724	173.105	N-Acetylleucine	5.42
cis-aconitate	C6 H6 O6	173.007924	174.0152	cis-Aconitic acid	1.2
FA(8:0-COOH)	C8 H14 O4	173.081724	174.089	Suberic acid	6.28
hippurate	C9 H9 N O3	178.050624	179.0579	Hippuric acid	4.34
tyrosine	C9 H11 N O3	180.064924	181.0722	Tyrosine	1.66
hydroxyphenyllactic acid	C9 H10 O4	181.050424	182.0577	Hydroxyphenyllactic acid	3.77
indoleacrylate	C11 H9 N O2	186.056024	187.0633	Indoleacrylic acid	3.59
FA(9:0-COOH)	C9 H16 O4	187.097524	188.1048	Azelaic acid	6.69
FA(10:0-OH)	C10 H20 O3	187.133624	188.1409	Hydroxydecanoic acid	8.77
kynurenate	C10 H7 N O3	188.035124	189.0424	Kynurenic acid	4.35
hydroxyindole acetate	C10 H9 N O3	190.050224	191.0575	5-Hydroxyindoleacetic acid	4.97
citrate	C6 H8 O7	191.019724	192.027	Citric acid	1.17
FA(12:0)	C12 H24 O2	199.170124	200.1774	Lauric acid	10.75
FA(10:0-COOH)	C10 H18 O4	201.112924	202.1202	Sebacic acid	7.48
tryptophan	C11 H12 N2 O2	203.082724	204.09	Tryptophan	3.59
indole lactate	C11 H11 N O3	204.066024	205.0733	Indolelactic acid	5.48
N-acetylphenylalanine	C11 H13 N O3	206.081924	207.0892	N-Acetylphenylalanine	5.61
FA(11:0-COOH)	C11 H20 O4	215.128724	216.136	Undecanedioic acid	8.16
FA(12:0-OH)	C12 H24 O3	215.164524	216.1718	Hydroxydodecanoic acid	9.82
FA(14:2)	C14 H24 O2	223.169824	224.1771	Tetradecadienoic acid	10.68
FA(14:1)	C14 H26 O2	225.185624	226.1929	Myristoleic acid	10.94
FA(14:0)	C14 H28 O2	227.201524	228.2088	Myristic acid	11.25
FA(15:0)	C15 H30 O2	241.217324	242.2246	Pentadecylic acid	11.45
uridine	C9 H12 N2 O6	243.062224	244.0695	Uridine	1.85
FA(14:0-OH)	C14 H28 O3	243.195924	244.2032	Hydroxytetradecanoic acid	10.56
FA(16:1)	C16 H30 O2	253.217824	254.2251	Palmitoleic acid	11.37
FA(16:0)	C16 H32 O2	255.233524	256.2408	Palmitic acid	11.64
gamma-glutamylisoleucine	C11 H20 N2 O5	259.129424	260.1367	gamma-Glutamylisoleucine	4
gamma-glutamylleucine	C11 H20 N2 O5	259.129624	260.1369	gamma-Glutamylleucine	4.16
FA(17:0)	C17 H34 O2	269.248824	270.2561	Margaric acid	11.83
FA(16:0-OH)	C16 H32 O3	271.227124	272.2344	Hydroxyhexadecanoic acid	11.24
FA(18:4)	C18 H28 O2	275.201124	276.2084	Octadecatetraenoic acid	11.09
FA(18:3)	C18 H30 O2	277.217624	278.2249	Octadecatrienoic acid	11.3
FA(18:2)	C18 H32 O2	279.233424	280.2407	Octadecadienoic acid	11.51
FA(18:1)	C18 H34 O2	281.249224	282.2565	Oleic acid	11.73
xanthosine	C10 H12 N4 O6	283.067824	284.0751	Xanthosine	2.8
FA(18:0)	C18 H36 O2	283.264824	284.2721	Stearic acid	12.02
FA(16:0-COOH)	C16 H30 O4	285.205924	286.2132	Heptadecanedioic acid	10.35
FA(19:1)	C19 H36 O2	295.264424	296.2717	Nonadecenoic acid	11.91
retinoate	C20 H28 O2	299.201424	300.2087	Retinoic acid	11.12
FA(20:5(5Z,8Z,11Z,14Z,17Z)))	C20 H30 O2	301.217524	302.2248	EPA	11.29
FA(20:4)	C20 H32 O2	303.233424	304.2407	Eicosatetraenoic acid	11.48
FA(20:3)	C20 H34 O2	305.249024	306.2563	Eicosatrienoic acid	11.69
FA(20:2)	C20 H36 O2	307.264824	308.2721	Eicosadienoic acid	11.85
FA(20:1)	C20 H38 O2	309.280424	310.2877	Eicosenoic acid	12.1
FA(20:0)	C20 H40 O2	311.295224	312.3025	Arachidic acid	12.47
FA(22:6(4Z,7Z,10Z,16Z,19Z))	C22 H32 O2	327.233424	328.2407	DHA	11.46
FA(22:5)	C22 H34 O2	329.248924	330.2562	Docosapentaenoic acid	11.65
FA(22:4)	C22 H36 O2	331.264724	332.272	Docosatetraenoic acid	11.77
FA(22:3)	C22 H38 O2	333.279524	334.2868	Docosatrienoic acid	11.99
FA(22:0)	C22 H44 O2	339.326324	340.3336	Behenic acid	13.02
AMP	C10 H14 N5 O7 P	346.055924	347.0632	AMP	1.16
FA(24:1)	C24 H46 O2	365.342324	366.3496	Tetracosenoic acid	13.1
FA(24:0)	C24 H48 O2	367.357624	368.3649	Lignoceric acid	13.74
sphingosine-1P (C18)	C18 H38 N O5 P	378.241124	379.2484	Sphingosine 1-phosphate	10.67
hyodeoxycholate	C24 H40 O4	391.283124	392.2904	Hyodeoxycholic acid	10.12
chenodeoxycholate	C24 H40 O4	391.283324	392.2906	Chenodeoxycholic acid	10.61
ursodeoxycholate	C24 H40 O4	391.283524	392.2908	Ursodeoxycholic acid	9.98
deoxycholate	C24 H40 O4	391.284224	392.2915	Deoxycholic acid	10.67
cholate	C24 H40 O5	407.278624	408.2859	Cholic acid	10.1
beta-muricholate	C24 H40 O5	407.278724	408.286	beta-Muricholic acid	10.1
omega-muricholate	C24 H40 O5	407.278924	408.2862	omega-Muricholic acid	9.45
alpha-muricholate	C24 H40 O5	407.279524	408.2868	alpha-Muricholic acid	9.37
glycodeoxycholate	C26 H43 N O5	448.304724	449.312	Glycodeoxycholic acid	10.2
glycochenodeoxycholate	C26 H43 N O5	448.304924	449.3122	Glycochenodeoxycholic acid	10.06
glycocholate	C26 H43 N O6	464.300224	465.3075	Glycocholic acid	9.56
glycohyocholate	C26 H43 N O6	464.300324	465.3076	Glycohyocholic acid	9.56
tauro-beta-muricholate	C26 H45 N O7 S	514.282524	515.2898	Tauro-beta-muricholic acid	8.89
tauro-alpha-muricholate + tauro-beta-muricholiate	C26 H45 N O7 S	514.282924	515.2902	Tauromuricholic acid	8.88
taurohyocoholate	C26 H45 N O7 S	514.282924	515.2902	Taurohyocholic acid	8.88
tauro-alpha-muricholate	C26 H45 N O7 S	514.283824	515.2911	Tauro-alpha-muricholic acid	8.79
alanine-13C3	-	91.050624	-	-	0.61
aspartate-13C4	-	136.043924	-	-	0.6
glutamate-13C5	-	151.062624	-	-	0.64
glutamine-13C5	-	150.078424	-	-	0.61
histidine-13C6	-	160.082624	-	-	0.59
serine-13C3	-	107.045724	-	-	0.59
lactate-13C3	-	92.034524	-	-	1.07
lysine-13C6	-	151.118024	-	-	0.53
malate-13C4	-	137.028824	-	-	0.75
threonine-13C4	-	122.064824	-	-	0.62
asparagine-15N2	-	133.036924	-	-	0.62
valine-13C5	-	121.088524	-	-	0.95
citric acid-13C6	-	197.040324	-	-	1.18
tyrosine-13C9	-	189.095124	-	-	1.66
isoleucine-13C6	-	136.107524	-	-	1.82
isoleucine-13C6+leucine-13C6	-	136.107524	-	-	1.95
leucine-13C6	-	136.107524	-	-	1.95
phenylalanine-13C9	-	173.100524	-	-	2.92
tryptophan-15N2	-	205.076824	-	-	3.59
anthranilic acid-15N	-	137.036324	-	-	4.77
gibberellic acid	-	345.135124	-	-	5.71
epibrassinolide+HCOOH	-	525.343524	-	-	9.86
METABOLITES_END
#END