#METABOLOMICS WORKBENCH efahy_20230425_000060 DATATRACK_ID:3957 STUDY_ID:ST002638 ANALYSIS_ID:AN004310 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 Hippocampus
ST:STUDY_TITLE                   	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           	CDCFA3F1-07ED-4737-A36D-15EFEC325AA5	90450015206	Group:Training | Timepoint:2 weeks of training | Sex:Male	raw_file=20191201-EX00979-A003-IN0028-S00042169-90450015206-N.zip
SUBJECT_SAMPLE_FACTORS           	B73AB139-7210-4498-9CCF-E1DBE6EBA71C	90559015206	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=20191201-EX00979-A003-IN0028-S00042170-90559015206-N.zip
SUBJECT_SAMPLE_FACTORS           	EA5C8932-9325-4DA5-96BB-50CD49CEDD10	90560015206	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=20191201-EX00979-A003-IN0028-S00042171-90560015206-N.zip
SUBJECT_SAMPLE_FACTORS           	0645F621-878C-4C9B-84A6-58862BAA17D9	90564015206	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=20191201-EX00979-A003-IN0028-S00042172-90564015206-N.zip
SUBJECT_SAMPLE_FACTORS           	68083256-8DAA-4185-B446-0CAF600474B5	90567015206	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=20191201-EX00979-A003-IN0028-S00042173-90567015206-N.zip
SUBJECT_SAMPLE_FACTORS           	6A013AA1-4D1E-4B75-B691-6BA22D928E51	90571015206	Group:Training | Timepoint:1 week of training or control time | Sex:Female	raw_file=20191201-EX00979-A003-IN0028-S00042174-90571015206-N.zip
SUBJECT_SAMPLE_FACTORS           	B137E81D-A9DE-4E3A-8E2B-AD6C22920B7E	90576015206	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=20191201-EX00979-A003-IN0028-S00042175-90576015206-N.zip
SUBJECT_SAMPLE_FACTORS           	DC8B35E8-4AA8-4829-8569-F223D069620C	90578015206	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=20191201-EX00979-A003-IN0028-S00042176-90578015206-N.zip
SUBJECT_SAMPLE_FACTORS           	8904857C-2073-4BBA-AC7C-1EC239E5BFF7	90581015206	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=20191201-EX00979-A003-IN0028-S00042177-90581015206-N.zip
SUBJECT_SAMPLE_FACTORS           	1F9BD644-303F-43E7-94BE-FF6654306F5E	90585015206	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=20191201-EX00979-A003-IN0028-S00042178-90585015206-N.zip
SUBJECT_SAMPLE_FACTORS           	0409BED3-F9FE-4C06-9920-74F5E5CA04A3	90587015206	Group:Training | Timepoint:2 weeks of training | Sex:Female	raw_file=20191201-EX00979-A003-IN0028-S00042179-90587015206-N.zip
#COLLECTION
CO:SAMPLE_TYPE                   	Hippocampus
#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               	ST002638_AN004310_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	CS0000OP0-01	CS00000MP-02	CS000QCMP-01	90421015206	90218015206	90576015206	90267015206	90292015206	90217015206	90416015206	90252015206	90254015206	CS0000OP0-02	CS00000MP-03	90266015206	90422015206	90587015206	90441015206	90585015206	90258015206	90449015206	90439015206	90567015206	CS0000OP0-03	CS00000MP-04	CS000QCMP-02	90259015206	90248015206	90430015206	90239015206	90281015206	90420015206	90578015206	90283015206	90225015206	CS0000OP0-04	CS00000MP-05	90571015206	90423015206	90222015206	90410015206	90232015206	90251015206	90426015206	90229015206	90223015206	CS0000OP0-05	CS00000MP-06	CS000QCMP-03	90444015206	90289015206	90227015206	90280015206	90237015206	90245015206	90265015206	90560015206	90559015206	CS0000OP0-06	CS00000MP-07	90581015206	90450015206	90412015206	90564015206	CS000QCMP-04	CS0000OP0-07	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	238317.542235687	nan	nan	8562.278289	6885.566896	589968.360892024	559229.829437244	547571.08743625	532470.410208614	441919.421475988	451136.665433845	57180.8806062865	236922.229919799	241527.96912832	258963.121702072	248069.408770517	273720.478560851	227378.105329559	237736.550476336	315229.636711991	245918.113028298	203559.894498738	278215.959644757	59029.2585615876	231384.328009798	203325.605864299	259422.1849024	219211.541545686	256869.282534425	217886.684446304	204166.107268181	242261.319211773	217559.808187645	194779.705317772	54543.9549672747	221963.033237046	226133.762190052	202689.811224724	200345.841873024	206480.916194639	229088.765678637	232203.321601856	216890.394708416	223543.166083984	227810.706524202	245723.446616785	55765.0832581989	222922.191792467	226733.779986566	235601.3382761	241034.914927618	223560.487367985	267182.246668968	247844.136882221	231483.238794736	265344.317393737	248329.269807521	60432.8021334557	233927.731297326	264981.416343928	233292.149208627	244313.718352972	279255.57548597	249382.880067485	228389.147208043	274629.444356222	273579.446556782	253046.190313519	269696.846027426	60617.0830445403	242186.483788453	232961.454421285	241456.195141518	247706.90709861	212296.368107723	255105.990851985	63169.5036568103	250350.083515456	8282.434293	10480.5513	nan	nan	595622.862069116	587017.757843747	558207.636183241	553199.744451248	462986.74498176	455987.538166655	232771.801751578
3-hydroxybutyrate	37296.8093818773	nan	nan	nan	nan	18354.3204471829	16700.4500126427	14104.2383315499	12375.6017764646	10535.1658696729	10218.0160956644	20837.7980634454	40478.021441881	37565.5215733083	26387.2561444433	28284.9145879288	74285.2883886675	26603.7595734074	24274.1770242278	25381.2274264394	36426.7301211314	61114.8094897234	50365.2715727641	18247.3812877966	39275.951920914	44078.094004704	23287.4556905516	59964.9796092668	18853.0304332844	55095.8991748962	32516.5988950215	23433.5048235827	25737.7284970204	49722.160851931	18297.3611349265	35414.772854923	37950.0297643828	22290.5452456593	48799.3713493195	24656.8468179707	23373.6309830984	22462.020894975	35107.7995488614	56109.0685664776	26331.7999550022	22537.2874366118	18932.2452841757	37980.6668096593	44435.7579691924	20693.4212748715	26349.3837887271	47301.6348741438	23590.2604663113	57472.7410338395	24725.6094090118	28417.2204174852	22736.3024858668	19722.0168431285	38299.0200347608	36717.7648083685	31543.5503403453	27282.4342958957	20071.5725058113	25274.8898594458	20570.2395852105	73491.7143748781	25794.4267900287	39896.7213270192	68036.3322660665	18408.6871636231	37641.5504174476	60965.008007573	23922.0676374526	24069.8144399074	58868.8143447034	38691.5638086252	19470.0027449625	35842.7850771886	nan	nan	nan	nan	18083.1991496998	17248.7209204805	13882.9105422232	12642.2620145464	12193.4219034676	10354.5172799767	38559.9303295695
2-hydroxybutyrate	18585.907932181	nan	nan	nan	nan	35421.1642971471	37751.5004165775	49575.2420138709	49527.9081214548	9241.50694049614	10124.890698279	8279.28875094852	21249.836889721	18589.2055951823	20412.0419920118	19509.9042994679	31889.2999247194	13885.3554823868	14116.2955699193	48651.2972854595	12937.2347697319	26559.5277495708	19648.5315560862	9093.64400470743	18144.0331125961	14171.4759187329	21152.3885360717	19343.6259999637	18433.7619164415	27655.43073065	10888.5932799753	18552.8912126529	14945.9703441757	12547.8083729898	9354.49383890937	19918.6853642111	22807.0310874576	11416.1576136339	13908.9206480392	10955.477147462	20469.7698185736	12094.0784051442	11741.3402102328	18874.5163745798	19290.1792016525	18567.757047761	10091.5728019738	20623.5776886615	18150.9223216995	14735.5347118001	15582.4911171698	20563.7511858821	19688.4489009984	26852.7252906537	10880.9977323289	21651.7042708896	13848.7594919578	10477.4151476139	19143.6050015428	17311.9337686904	13201.0359325456	14894.6669830865	13843.6227500669	9107.17990244496	14258.6293553	24114.6505236898	18393.0356583916	17106.5125701483	23239.1894083231	11311.6168373499	18380.7533203165	25567.7743533605	12108.5374755317	10324.2820609896	18503.5362748545	23167.7499827298	9680.31831524443	18341.452959832	nan	nan	nan	nan	39032.8755141371	37935.2756823176	51390.7547695703	47355.1193153463	9381.37114663754	9404.52871053753	22647.5250673683
serine	28981.7296883611	366.3757121	250.0315276	906.0296006	1270.822963	24984.7784185804	26296.2074221654	26834.5202813796	26215.6078661906	26558.0795904561	24503.1058230755	32387.9125994856	29084.111064837	27644.9426333258	28633.7636746666	33444.1838305877	32940.6923743286	33774.7782820483	30959.455330857	28363.9566496653	32162.0738365624	32047.8213601472	33136.7510467944	31156.2190282285	27642.0786765552	30026.4214547476	34356.4894703954	33769.5642663734	34309.3244875357	32991.1786706614	33196.66741293	33312.631394479	29369.3898891647	31361.8112086534	28797.8458175264	29192.5802853228	27895.5573869155	33342.5208455105	32371.8325635671	32253.8041019278	25933.8747560049	35135.784578248	34867.1939406483	29771.697087863	34250.7660716393	32101.4299876461	31020.9071391696	26511.3666504899	32729.8124193241	31965.000908854	34179.2954023835	31443.5337757338	29518.2637163978	32473.2520619353	29556.0427637013	31159.00527308	28461.7354128713	30015.3900788334	25285.4962039251	28227.7759002333	32088.4149677052	30028.2803812009	27665.6266063343	31034.1168781656	30729.5476657441	30436.5808470439	33711.4821672208	35662.9010950322	28706.386229566	32642.3342617643	26042.4051182297	32717.0656032332	33369.1563533226	33806.7432113331	33835.5677675791	28172.6091462214	33632.9313874334	27353.7053996297	1474.502026	798.3992081	217.5986062	361.1122732	26479.4076245046	24581.0110266259	27243.9271736366	26689.3700995264	25095.9780152617	26290.8355966178	28122.1270080861
maleate	2848176.53219612	nan	nan	nan	nan	158779.681618314	154244.728922133	113866.221050392	116831.206606502	86000.7333142684	94068.7468703816	990560.527377072	2963049.25345689	2939348.4266622	4637264.65140885	5112988.50123079	5053791.41661226	5054143.86154582	4367329.43099285	3654381.23524557	4108593.51883013	4430754.63313548	4255349.37140818	1032775.99402895	2807205.02447483	3829062.50670198	4644108.9239018	3533913.81915254	4050052.00324842	4591320.30242856	4822647.22879449	4301247.61578352	4087325.35946359	3646371.20373923	1169811.24844498	2892948.68972448	3103663.59514869	4573321.80995556	3791555.64607243	4022214.57964503	4723762.60006622	4417980.68470288	4142125.00057677	2564732.17841925	4233883.27648624	4836147.31388369	1169845.64322767	2834048.20045232	4959678.47986377	4341455.21004063	4857760.12100654	4260525.65481208	3963746.93536519	4059393.85734653	3687518.10021041	4187188.08918644	4142457.42143937	1000398.6684116	2808082.07272604	3004101.28252269	4685673.00970758	4704702.85593368	3842236.80641869	4953452.89049434	4879927.63240961	3988516.18815957	3660486.33904175	3720359.85768813	4699497.4979643	1028916.91641742	2852421.93855669	4717480.5070581	4169407.03388987	4279948.22709777	4009639.62899295	2701702.19569376	1069762.57655197	2705769.91422326	nan	nan	nan	nan	151482.776847529	149796.171502566	103770.61704824	107897.791197163	76723.8467403262	73732.7351462843	2791755.00423222
succinate	402461.73576711	nan	nan	nan	nan	89483.3622099904	87039.6245055474	46146.0222925805	41336.3964107493	70659.1597591007	70765.5788295282	93431.4274960133	351748.024254824	350632.371468121	400930.596296873	397302.362702099	381163.496213902	365268.096306433	359000.568883224	408678.757633258	365072.697620448	382889.68294032	315298.500439741	99225.4685327591	336500.109241309	323650.319593973	406395.597774866	308767.512400975	364514.308869916	354582.485414069	359945.847040729	345268.797723786	345128.491198257	312227.869312276	106554.279923493	360737.48880725	374762.659085136	405569.029831027	338796.880181702	378884.352425234	429033.182758989	367822.257255655	360463.628761041	327849.467416373	360275.656860087	360004.190986633	106956.115676233	378323.346442683	367698.11706432	376080.669297943	378530.68457262	377174.333172661	360518.899313449	380048.699049853	370653.515161234	382716.038018629	388141.455754204	98417.7477025798	348267.681293229	339198.538287683	384629.343963917	373419.613458459	428564.17241934	351671.464353215	376358.01177627	370534.087841536	367250.155644079	363429.112335999	402612.49980309	96274.4627641281	337431.085908842	387921.148336319	356052.060078555	372270.793837442	342385.016684112	366907.518156891	82044.0350779313	335068.81815885	nan	nan	nan	nan	86227.1854237877	87167.1457044536	43877.6137550969	45351.4110256108	71650.4966044617	70557.9501682492	361954.365955538
threonine	4121.56551622644	nan	nan	nan	nan	20621.9039107116	19555.3566391057	21127.4478826311	23792.7310470759	22020.3221682983	21631.531888462	6559.16304975974	3989.32327572174	3606.84512644764	4214.87079011703	4053.64613608127	4350.40619089868	4607.32070998439	3153.51160850551	3487.52718584642	2386.17254247217	4093.38807067459	4480.74421948778	6913.79734344813	3830.67087381776	3552.48215426711	4264.83913681046	5230.80281121464	4334.47571727261	4023.20455074563	4420.88898298163	2942.01923514679	2829.25310903936	3349.07853377936	6553.04482140485	3940.12449738645	3142.69444792467	4331.62999090502	3576.06627692342	3144.45571558926	3113.89875574479	4115.87004092693	4665.05601625347	2521.95081324391	4050.39205778621	3712.25732288298	7200.00040802875	3858.59632989729	4557.71909713582	3427.27191714501	3667.18634190705	4006.53821581018	3989.88823615055	3441.00210982649	4067.90255164437	5306.51360492037	3869.64635931375	7411.7334035051	3515.94857999222	3386.53214452186	3907.51410056694	4520.35480002638	3595.52107308197	3616.22046164652	4183.73060429972	5483.70566992838	5117.98192315495	4730.3234332161	2976.0013312347	7030.18746289572	4106.64239332887	4215.02204253401	3852.44219982969	3818.91332490744	3883.45055577875	3882.64541710424	6291.23267516902	3000.07325761241	nan	nan	nan	nan	19599.9749287232	21538.170393658	23482.9894264569	23958.3336287856	26381.0665634373	22849.3991975429	4026.07125425248
taurine	3593798.12945082	2286.950441	3289.750695	3443.357289	3458.114489	3572197.51626178	3558792.45189533	3441009.6855131	3479833.85594208	3116700.95145164	3082458.5080241	3403746.25984706	3347707.93514145	3440857.88432742	3593669.72312634	3170394.26904818	3392756.50023512	3051678.24001438	3332975.43898528	3629356.27036033	3533822.88322928	3399372.14923597	3433968.5279867	3388755.65913268	3265177.59105491	3668323.57090242	3691401.6795453	3498916.58853455	3460324.50037215	3410409.30161519	3432513.70545966	3516989.99513337	3497482.81332908	3610903.16062661	3281599.43675194	3269631.98535303	3309618.96049331	3596561.91303642	3508046.20790082	3635289.0418595	3592239.25676353	3405051.69985818	3653672.81703578	3929480.44564137	3436582.92979118	3265591.32455222	3371471.63870617	3320625.95492085	3465394.60624672	3624075.88597041	3318097.70873047	3420266.01580313	3656308.63252114	3470001.53446273	3687611.78707084	3519662.73041429	3357945.27020333	3431828.59469945	3268716.38121559	3368756.86080546	3521758.66085715	3527564.13473363	3451616.63733753	3152667.17137301	3532462.34727419	3564540.38598968	3750237.08427442	3844343.04690054	3506852.44459024	3394784.3061864	3385491.9186961	3524747.5185986	3442460.62958696	3613753.43665287	3743686.69052281	3323809.24841804	3355976.00753662	3347730.6175611	3064.440307	2801.778351	2277.942127	1877.776868	3605793.50208585	3600082.05259606	3474215.81766106	3545938.55890613	3081618.06230873	3110600.8058075	3366470.90485039
ketoleucine	3689.13225405884	nan	nan	nan	nan	51443.5200052222	49738.535236194	18753.9234857526	17818.9972450397	4100.6890007873	3545.8650866672	249.845107249861	3698.0866741728	3088.1699259505	1426.39406296884	559.414196644416	1097.95566244087	1275.55682742404	2071.4236182262	1796.56216569237	1743.84685975725	660.793266537413	1347.06452293806	498.52628329542	3781.87333197646	987.390027870204	1306.49602896271	595.325098160985	1182.03274358846	1547.52267070825	1736.70560260197	1637.68697429834	1820.94132350334	1318.1514195178	196.105517487684	2786.69324688532	3364.67962488856	670.513729117921	1441.5514003043	1040.74691364056	1404.98257307332	1899.98895284323	1925.60028314851	927.768743371138	1747.33683979747	708.756735577076	752.374490122198	3430.67089089899	1356.89234038545	2055.00231970082	1578.68024410503	1761.28432280263	1989.17264134577	1836.09442529476	1678.78730925035	1298.91272044637	1932.14880428796	450.664441673676	3614.02532516055	3713.92035803352	751.734833855431	1698.75073439109	797.756010378437	1381.39615826964	1714.88016114407	1336.90621768314	1009.29811140721	750.546965545349	665.491645381611	546.738760142639	4010.94742112982	1038.58794927599	541.522367848471	644.613618454098	1494.62374224698	2637.41672393118	894.179583433504	4367.69251512427	nan	nan	nan	nan	48249.045113422	45065.1488659565	18227.3165332551	17802.7969512435	4156.90070456295	3521.04728963522	4330.06031132559
aspartate	117361.598160331	nan	nan	nan	nan	26141.235037998	26864.6980750839	69802.3703722983	73598.8498142824	45225.9576226942	44290.661969017	101916.768443645	110293.142798599	121985.980621999	115237.651251798	126228.54129198	124654.399725617	128491.972282118	130449.358326185	129055.218084029	127137.512221575	122099.103554626	121734.386882444	114528.547383189	119491.667552027	122959.270458628	117044.113201314	114296.970389332	107047.689224167	125740.042184805	111387.360720156	126729.792105054	121014.720304795	145631.415789507	105314.218982191	111062.851734693	109731.412116161	107403.271162124	129451.836771021	106435.211625491	116488.586024714	122633.370763549	118878.311484739	142392.9373201	115617.978429405	109469.757202484	105729.503025476	112975.669408329	135990.012740155	116911.243763358	116851.910896404	117305.72357187	111782.661002296	108029.406335593	126296.884362288	108645.913460139	120284.936095513	113196.83458062	117005.432339521	112938.044770521	120071.612675605	116373.363191931	133711.228014475	125000.330583431	116077.536269055	100662.813858389	125655.161727245	113822.679565992	130616.702605529	110622.129975181	113875.052273166	131283.588760178	128421.689817793	147692.53473963	125371.590898189	107900.874160477	106732.481412444	108749.716646559	nan	nan	nan	nan	25414.9496529176	24419.0276234262	71798.1740126708	76425.0044104233	46141.7548671139	46491.3107696995	108808.64874775
malate	606609.153244665	nan	nan	nan	nan	12521.6090931594	13252.6644895633	10342.2437408815	9017.7131004133	28352.3611990708	26725.4400028486	172590.83166339	621256.773993397	603425.457311162	639712.653252501	665416.827242482	650698.112270836	676037.323294359	647916.641657043	577361.698917799	709741.847762408	642511.414335874	602062.97581546	173485.414132587	598151.900235065	608094.609544442	572562.923298795	558199.69117414	626538.169238786	662972.993331478	607542.650654902	604748.882752613	548733.891363554	598507.659735993	170232.871832883	571227.543096132	609645.561062379	625398.796018295	601559.468535075	611275.790631163	669326.286680897	635315.81003743	608848.028137454	582201.07065113	623271.173756211	595035.867454919	173620.128815101	602269.604992022	649521.208995449	618502.488159044	610389.616186204	561765.733264183	599107.309579218	658842.947271085	617282.618380672	616637.826229026	622249.25976781	172376.075686437	566522.927131309	596053.188388132	627149.12810961	651563.921565539	614222.899676145	609830.788932228	613493.26915762	630164.792571526	646071.427883729	630366.632708383	687362.691010114	172121.63319288	581288.999461418	672813.355733047	611631.40403385	642265.854363275	655730.587478676	607997.692872018	164507.303785525	591631.353616257	nan	nan	nan	nan	12905.2349242494	14746.4992949196	9989.67085807985	7917.33689578358	28903.0385290653	33481.8432759983	622267.669148758
glutamine	182421.004020865	nan	nan	nan	nan	298239.137967075	288240.438161995	249202.945425668	241005.271766687	192761.13467255	191445.129443334	63944.4774357122	181691.684015283	180680.712363967	203385.270804577	206100.310600248	229852.013710637	216541.474941672	213405.185858381	210744.027233099	216961.374947071	240921.711789309	227638.265127159	63642.2733611665	182470.081860349	203148.531623217	211066.92755666	224161.397340231	232137.512994329	215810.569727826	194559.62842413	204830.173932287	191826.64777869	191879.106003402	62323.2844843163	182032.016998671	184572.406889268	194979.602812269	222074.65093882	194679.641850123	208720.710710511	217565.526731268	206025.970418388	171042.779682397	216402.813149869	210569.711583684	61732.5660951695	179044.895706648	231468.295887876	208747.925463244	187659.508510965	193023.872279457	202671.936373072	219741.685983057	175542.730719723	228494.342901016	204769.066245664	61800.6851371933	181515.438419624	197959.802007029	199416.823269362	214045.864408574	196093.458950554	228667.107127856	207883.279989205	239892.691714208	200355.475518578	224323.998771033	197139.9919963	63615.0383774569	190315.021948488	218474.725943362	224411.261736495	207079.993913627	239391.723603006	198505.910154882	65266.5770580478	186921.998530383	nan	nan	nan	nan	302400.82248651	291070.628601879	253631.071429968	254006.85374977	198683.546036036	202012.540348961	182368.782264525
N-methylaspartate	15937.3835669414	nan	nan	nan	nan	6598.49238642904	6626.47160479852	1292.87290290847	2015.27678213722	2328.57601657802	1721.72479489543	13429.9931579628	17213.8943308363	20331.0832823555	28032.9666967922	27518.2041200777	33117.1917791223	35098.864287041	29677.2053744201	38770.9356888625	32503.5187701411	21783.2191180126	13193.0814716843	15295.5903105524	20022.9088820571	15307.0213936543	35417.8017209569	11367.511947662	19206.2471845717	25986.5179365589	32083.5587811315	24853.5694714682	31264.4297373041	20872.0447344296	19417.9726375912	17349.384147504	20314.7922147799	21753.3030514514	26233.0643076063	19029.1290071288	30312.9306737885	24692.0226362895	31822.2324748437	25710.1270321683	28634.0486809841	27855.5671610701	18670.7381815763	18032.1548668878	27019.1548955978	18361.2276565589	32253.9596238523	29417.6890954186	18047.8835369745	26024.2571349932	25207.0783854671	21828.339371346	28006.9035399924	21917.4287974683	16587.7080872609	16458.0803759476	26276.9991088912	27412.6903584588	31505.7422395529	28974.0878148373	33245.9012209676	24321.7305466515	30563.4077014998	7803.32659753222	35163.4825588954	16190.4296991516	16910.979810016	30645.2171585108	26244.0625737698	25146.3076702962	18391.4565232031	15156.9672165772	16063.4443018762	17133.3780602804	nan	nan	nan	nan	6137.08523216811	5386.34199324625	4069.10089937786	2313.60840451303	4585.70908375753	1507.43942255163	16995.5448058544
glutamate	520401.153732286	nan	nan	nan	nan	174369.234889596	166505.169769366	231119.490617697	239273.051744211	260064.732030226	253700.79216168	589616.021445274	563914.479568398	563308.475061508	667094.633346472	641440.916450613	647320.848661221	624696.876961461	634906.471539404	620459.155179752	596064.152574151	622460.94284978	638447.522708944	592950.585452994	557312.564885232	584724.295622888	654280.262681362	630957.981912533	633463.037816954	690293.648991843	609453.301186633	607756.501173962	599906.924054579	631664.02661402	595145.732068436	585239.444034661	527469.487668291	582571.812708234	613115.615969707	604524.697292794	603322.402955072	622906.296156901	658025.271464195	581111.928308045	644734.258444243	658483.154273912	564681.522805152	563339.463432291	683474.069673055	629169.515177573	659462.065439695	651462.447269214	604600.887343125	631747.881665316	642675.884688596	630326.273087434	623621.584718107	616150.258371495	538602.046081888	591078.194550422	646728.925577089	628552.082289681	603185.685528073	603993.20488069	672143.884946278	594307.657799387	632372.327438693	602603.941965663	640376.67418174	569789.823762877	563555.195562296	661463.779549862	671507.92058798	679729.887836025	619484.158559384	537191.672021515	605799.959115887	571680.851155417	nan	nan	nan	nan	192508.54397778	193691.402460488	255466.131355832	260834.351120641	286050.098688022	271744.676681793	560764.120517637
histidine	32372.6809039876	nan	nan	nan	nan	32493.7146542526	30027.6856503749	25588.5672759011	26060.3117173175	18003.4710137569	18037.4705179837	37710.4020600612	31826.2865202226	33498.874821453	37955.1733526361	36086.278937643	32198.1510674495	33854.2030008243	33322.3226997997	39325.4365415244	35424.0814503818	31203.4959341022	28332.4787846325	37127.506355419	32137.0302447109	33671.1224381464	38376.7593336803	28733.625362803	34981.1355905714	30651.5971120759	31824.3912461397	33237.3090127665	35792.6005746513	30863.1114068436	35732.8954199185	33329.688185178	34119.8315433465	34246.3848183957	33129.8443667016	34239.1095047201	39358.317353728	35151.144150379	38055.1301018942	33698.3383079744	33938.7140609716	32230.4112025196	35165.2687657842	31937.8537614793	37102.730135814	35137.3466856904	34480.5748281888	33557.4613568195	39889.9504561505	32411.3372363326	36014.009103677	36756.8042864684	32491.8663187428	35892.752262526	33275.3632876541	34351.8461144483	34464.9065574299	31180.3181663413	33353.2563474117	32256.5662430324	37058.766568476	34087.56474815	37182.6486758462	39183.6327757164	33747.0719791835	36187.1948181343	30707.1769986312	37989.2527118498	34475.8047198416	33164.7028553872	34536.4692113413	32016.019297091	34657.3325979334	33155.4123972507	nan	nan	nan	nan	31736.4679848262	31581.3580278468	26557.2408718954	26596.4344270624	18099.858205135	18973.2159739355	33877.3531582327
FA(8:0-OH)	8866.26412360724	nan	nan	nan	nan	9632.3788257907	8908.08731112066	3873.38896002631	3186.76664089228	3554.817960281	2832.18446042525	1778.34538732994	9381.70213333959	8033.67437275349	2614.91973341989	3748.77142599246	3702.93888402485	2012.76302520614	2614.24556156656	4371.98048123164	2367.88038606324	2932.51131098654	3215.21555626671	1647.53984168759	8684.30348156709	2208.77161828722	4674.48089918761	2515.45185826839	4330.70120059857	2352.1106351957	4131.76170150642	1653.89769705236	3876.5400517058	1497.99259207347	1528.05116311684	8189.33714756326	8244.01835639619	3257.294931849	3423.0095808783	1975.96778797339	2730.9362784227	2500.26630133119	2833.53709232499	3759.45801149361	2038.21399801759	5745.17418727104	1726.16328211846	8408.58012737368	3567.29312236347	2799.65802091897	3829.29570983456	3180.13084958325	5339.8497146253	4129.35236117333	1649.37318572567	3179.61285127721	4052.20894874336	1601.51821748173	8354.58107345787	9303.38136739131	4662.47574635049	2170.04925835827	4065.77183396136	2988.63138508752	4834.86060231371	4586.58690163146	3563.39223151764	2696.20826725444	3282.03988465646	1494.1134338369	8157.8419104317	3238.57847225841	2992.7828516232	2385.67423483056	4770.07692591465	9396.49940529003	1740.82697654155	9097.54218824529	nan	nan	nan	nan	10097.3395364905	11529.9204105332	4304.09782501875	3290.5159869788	2203.09735735316	2675.64426145716	8499.45278995878
S-allylcysteine	374426.033976763	nan	nan	nan	nan	11240.7501879615	11769.9107703075	2481.63053833655	2304.04929109128	1999.96734452594	2190.45912196101	135902.852476222	395071.107198203	401448.911811046	503251.722888246	124577.801702693	227679.326800983	106656.456571568	312586.73054447	32624.7146900825	254076.620935561	666481.845825712	620126.349054448	121041.556347722	384238.090903698	425749.598594829	63892.6064497886	243552.551933401	396767.006746719	101810.577268845	186748.491953282	251944.891151364	206698.22467875	311717.632543832	112696.383622646	353715.035876377	344313.274281687	357130.884365661	362290.584159018	425954.207453136	161332.052691278	418029.323601645	275742.448983764	156954.931303532	289178.206178546	382443.228509815	99721.8209498898	353907.495371355	204130.080166723	338660.007939183	76455.9829887245	250503.724380881	433279.382333611	379042.411992748	286125.738456626	608393.302272954	298298.719900991	105725.411579716	353346.884170535	367775.09805459	109470.620812315	355779.802590619	286388.736296695	267156.383046907	166908.276432771	612970.79713891	303777.700730254	267318.655091437	29260.1524240145	93420.3967256905	359206.306499119	99026.2690093742	222057.940034375	247733.64949003	315491.264448095	326355.071000752	95684.3915800012	352702.580698254	nan	nan	nan	nan	11680.2490964049	9652.28101463585	2836.27286500821	2351.73473347791	2550.10518671098	1657.15242554095	331108.256642519
phenylalanine	424727.681446853	nan	nan	nan	nan	374616.434565425	369455.807319366	337144.236713472	321533.199326176	273538.493141927	260755.051022354	136497.046140704	438708.657854777	414135.284746691	496401.036842136	474627.694146586	457086.685259825	391853.184528457	424558.422306065	595711.343138222	424654.279230445	395175.485325711	381870.958874934	126174.506372433	419090.35833675	322020.086332627	451214.08841933	377532.418529611	458559.680902276	452455.44452004	395012.29932108	441052.264616952	395337.901360211	358903.514507765	126337.052302936	415151.708116673	413919.974767145	381263.017872813	392996.405883665	397564.880556548	496590.325137388	433394.464289179	409334.739014913	391668.438691068	454811.090557914	454234.768481148	126631.254564341	409213.76860582	439094.966103628	443516.643419702	459496.347603774	408154.932166862	455283.514818259	402363.287756065	397594.396108946	467035.285714875	426750.145901485	131443.383944616	403458.561879227	407474.006011981	406417.741188201	428365.74481307	461041.705342243	404114.975844825	435421.011197287	434295.07181042	432485.920928404	423445.060234016	443476.035535194	127843.2144634	404189.757521761	473677.400454551	426118.258199835	418375.087206187	367401.488999931	413907.415811394	128603.330357607	406741.084615498	nan	nan	nan	nan	356501.926495695	357582.904969511	320632.038569655	311839.561408204	248506.298317889	256608.134539671	411714.739183311
urate	152368.676548056	nan	nan	nan	nan	1852136.59858549	1858467.22600935	777985.210237854	771563.520919411	539440.664106986	553402.268849302	65214.8416146917	134897.643545579	137917.201025777	55766.4408786399	68180.3886562877	119801.644892889	65756.19706423	41536.5706155014	93603.7053779338	72856.50420149	82132.2116903829	60791.1132627274	67953.4880178467	145408.481962545	56167.1967266563	57929.8358351115	64528.7186823474	68913.6715363226	84198.2995687178	75940.5237304251	63745.9814548097	111122.504516913	67332.9441392731	63065.5355290652	140065.455410717	135806.231037526	61018.5884467806	55962.1939908817	39481.8637238019	48353.0365536993	58183.4574901528	112266.861563565	83444.9267923905	57081.742807837	82888.31740225	64702.1653946487	146456.222759066	90457.2082692324	61447.1696899098	81015.0115963846	107457.194964712	67248.1700336409	110727.204325184	42449.6113901116	54210.3092130081	61088.5881093123	71736.3007826907	148778.270120894	146301.046654836	52419.0713951401	50769.7887259005	90090.1830097395	53599.0941422933	45062.2178477687	99446.1824186713	91170.4308538778	97299.8153697624	133932.368487378	69401.7161447439	145391.339896306	90577.3928294215	44079.8426973221	84070.2661468061	94995.0538529832	147097.093679739	75395.6226419741	148494.029352178	nan	nan	nan	nan	1945345.02626628	1955948.35851297	825580.304086914	816826.052881186	564057.598703859	570868.93707405	146054.727153298
N-acetylleucine	16223.6114375725	nan	nan	nan	nan	4485.2117759898	6004.96783738105	4854.23041057699	4757.66041673864	2512.22413574882	2284.22654538378	4066.63873587533	15776.6183004967	14729.8629725993	16863.2245186768	15711.3333539988	18652.9785333951	15574.1638286294	14421.7370555124	18269.4209800573	15092.2836675756	18818.3911837008	19764.9210168032	4713.08555417627	14286.685413544	15001.8179486496	18177.54983639	20683.0097961471	16859.8363357739	18136.7769755357	16634.8964801898	16340.6385174804	16609.8212589783	17306.8772071455	3982.12104835894	16898.8680529701	15076.6298632075	15102.7885235443	15350.5913785264	13994.1836185427	17131.4992922852	14758.3400140287	16523.4584481716	18401.4624388503	13851.3325583417	17468.7002292028	4257.71224717866	14649.8267437628	19566.7957686479	17241.7851738213	20222.6855765208	16140.7324628719	16685.6767486746	18666.3301783391	16595.8408586812	18734.4239637762	15457.5542675579	4097.55204894217	16912.1933152664	16515.5018519537	15764.3520880024	19296.2035437841	16868.9244629991	16763.1029220022	18499.7611527995	23201.7778221854	15769.5612871246	20658.2095246229	22877.3470414573	4716.05896557737	16087.9957814795	21360.2527612103	15915.0126995702	17462.1168230256	21523.5726575101	15699.0537382502	4728.17298693125	16603.6780465104	nan	nan	nan	nan	5517.34373154327	5871.51586725404	4642.767888541	4953.83341178793	2717.7815499145	2338.17225011611	16022.0526290737
cis-aconitate	8873.34712377523	nan	nan	nan	nan	10607.8983989961	9365.14044719079	6251.24780199918	4716.36432117254	6606.01706556651	5423.60632555343	3257.53469714354	9095.88052578712	8302.7065181803	9427.1055494164	9354.17453423315	9025.26164864119	8063.58636768987	8845.26327336341	9292.04727711635	9938.48765847782	8352.13376305471	9837.34622376479	3187.35584958424	8090.19167971372	9096.0497967343	8390.19994799369	10898.8915508554	10579.2150277142	11041.8800544427	7263.73764216758	7822.01763938355	8656.34613893927	10368.2969661099	3424.39664366064	8876.47820677377	8338.22610775513	9624.84665731662	8873.44983073889	8448.26594869709	10490.6063419684	8487.09105074021	7764.10888725251	9727.61604682772	8501.96919731674	8991.14054227466	3165.81440611833	8690.33788640267	8404.873421071	9872.39749967066	8712.75143077944	7516.28562361436	8524.78544401606	9883.81743777854	8803.3024384345	8580.75139943908	8421.45118197138	1974.39408321518	7946.83647199448	8991.78766142535	7330.87854703136	8435.35115063846	7435.15043237392	8223.80565038937	7611.83369325215	8633.85470206969	7693.33857190255	9953.2176973659	9436.82936034922	2804.56178044223	8676.61240528953	9925.81626483488	8237.01139557394	8164.87473507723	8827.70836567149	9341.59815193364	2983.52383372372	8340.8348558438	nan	nan	nan	nan	8479.46635671124	10292.5500321861	4739.56994605136	5150.76032759598	6004.7755277546	6734.6110961068	8665.83262779261
FA(8:0-COOH)	22698.9243571951	nan	nan	10387.38013	10168.74658	16905.1699607282	15535.0402142244	16082.6292160268	15896.178872645	15882.6521558848	14188.2059940934	6454.40708473794	23427.6933487696	21574.608107237	12874.848558971	13165.9868569609	11766.9408251187	11407.6202800245	12665.4078663614	19564.8541362008	12750.1709733424	11330.4572185695	11653.8136093309	6050.03953127564	23962.0897030679	10904.2173776711	15048.4907369428	11023.4605883297	13098.2216031246	14171.2677068566	11371.6827187089	13458.3462044136	14026.4723212829	12317.3880914862	6231.97257653042	25385.8030168424	23816.155989291	12094.7935344871	11230.6723387777	11161.0519400768	13649.2290806375	13377.0644865122	11677.3604495261	13422.4047256496	11376.7339475425	14915.6695653629	5953.21735067816	22924.6223018282	12867.8902164645	12559.3466290463	11806.0898661857	11398.8747976561	14096.1385991629	12450.7067645019	13988.4022553641	11239.6893599267	11722.7346866376	6196.92239649487	22504.4343449192	24357.5425443775	12705.9116784023	11022.9686622865	14847.9555719549	10870.9196175266	10281.9619382085	12173.8806763167	12094.9143266271	12154.8848038343	13278.8280066738	5934.23441713867	23156.0369818183	12913.9973656183	10128.534654936	9586.46417602844	12468.5571484977	22552.9538199344	5813.28238427242	23871.310457317	9001.720759	8868.111149	nan	nan	16497.5735925557	15321.0127023664	13807.2641386895	13665.0641327774	13093.0330286547	14145.810342304	22797.6071051149
hippurate	10222.1103358181	nan	nan	nan	nan	33386.4162549551	34696.1602313007	33657.6834161836	33067.2950317814	14633.0598627869	15622.1289166769	1463.9158283248	11577.3738561709	11351.6950015873	2030.13779158326	2943.41012855203	3057.78247270542	5196.74484431287	2671.90498947316	4054.33632550556	1821.55748546612	3148.68328346641	3802.31169441628	1755.80985390901	11182.6406946334	4237.44714785829	788.084023628062	3953.72188073423	2995.99922714767	3681.37144291964	4179.67156040952	5004.3173425559	3452.24577977771	6093.58633888206	1259.67455952843	10685.1380775464	11464.476112898	5856.50553144046	3696.2413485297	1409.01634541356	2760.19411108062	5063.99701936305	5899.04159630709	4908.20114159589	2193.22095091795	3812.51955256442	1577.98111859785	11511.5237307068	4285.9087807759	1461.08908564943	2630.83840343871	6505.54325817425	3954.44055620331	3837.13582364977	1516.26226295524	6024.21756652027	6936.71691989584	1579.45792470054	10065.5772227649	11668.0238762153	2322.8911073187	2913.30898647574	3540.35043087096	3965.66411290326	4469.11028975143	3908.59764693092	4190.9858108062	3678.03897562992	2511.80271998047	1495.3132963504	11438.9193711894	2551.86993592942	1379.27343683568	3701.28843870347	2808.44554514238	13186.7012335934	1443.2753539078	10561.6753360485	nan	nan	nan	nan	38312.5759486089	38838.587522343	35937.4209179727	33524.1613131139	16434.1624525115	15094.8099013247	11641.3744962671
tyrosine	130968.684544911	nan	nan	nan	nan	168272.350711553	172760.825843029	127434.165906383	122782.632105425	123702.985537098	131131.757785842	49667.8153397357	121762.341735799	132402.570563155	126276.245942975	145417.860024421	116532.073006687	148390.988298186	117786.798778369	133142.624798201	103245.934329251	168778.691912815	98446.696839297	56145.1885844546	116799.747355775	119991.278356865	139317.128912732	102843.818864293	107036.161857804	127475.240577558	111737.769105331	115216.541322817	112726.303547835	116758.738775169	63980.8453730844	122535.238661737	144411.65788572	147491.523283896	106958.986938437	115940.848519858	143165.026151023	151178.013696976	128673.941583615	129508.68084381	126118.100333856	126397.124079099	62501.4731765298	146169.851167189	164850.086918845	123870.300707589	138992.910175618	130448.336572176	122193.837846472	135341.716533303	117252.15824998	149570.957918132	136690.911611892	57024.4623600345	134595.614910376	125862.977716798	139148.728795379	110152.568818639	152963.483518998	143369.686389106	157323.765641375	117268.856164054	123424.138238225	131187.097191165	140524.954388421	56365.5046806796	129410.848468133	151428.563989297	139661.98934141	146984.65427996	123428.009200127	154171.3249426	52202.8030267922	123481.869661209	nan	nan	nan	nan	189991.256454351	190971.616572924	135015.197606843	128534.50204822	136900.866080024	130034.056707617	125142.783086926
hydroxyphenyllactic acid	28073.1435851777	nan	nan	nan	nan	14839.7349031066	14671.8354559894	9810.34244726186	10073.6313504253	5089.01069108617	6892.3265363527	20403.5038422517	28258.149867238	28167.0067486088	36215.4769610927	43170.8440157722	32082.6230504982	33973.1371447988	36174.3297370053	35427.9223147137	31054.1023946595	28623.0723759724	31267.9937046963	17947.3205426097	28184.0631449084	25200.0875482187	38458.240724252	29127.2811436914	31774.9920945658	34421.2927671007	38167.1347148017	32393.8452875593	30149.7148441228	23871.0105029075	21595.3484937528	28868.2754653202	28568.5709244468	30673.0123652252	30560.0226499447	27980.7243625504	35043.6688642303	38935.6151619378	36524.5731363059	35586.899374978	30608.636461292	46526.3731008573	19866.6074332783	28164.3344337737	35792.190936807	25876.5721133358	41964.5888596561	36936.0082720564	33942.7847283978	32146.0032887869	26235.2568889642	34350.12234354	29612.3855296421	19597.4251612799	28275.1019922508	29033.4392255481	33804.1862697675	33271.0344922694	31098.4559653683	38077.594022732	38722.9933866766	30998.8958564841	27051.4836568401	30994.1144490705	38508.0918213253	18769.5725665166	28751.1975285412	37839.6310917662	30660.6094493052	33669.0031682485	29311.0586479643	24010.7745166762	21500.2167887809	26707.1547269035	nan	nan	nan	nan	13618.6570209088	13146.4266576758	10012.6982536752	8744.68974911018	5655.47254476685	6279.31753526235	30215.4433484429
indoleacrylate	7947.34126241817	nan	nan	nan	nan	13790.4945027341	13437.7479516892	9542.33379974981	9660.01918853654	4583.70616824158	4145.13461095006	10437.2643570188	8839.27370816822	8474.44258751974	7869.16163151089	8555.46892047232	10864.5539432389	8396.97091343088	7571.49344583259	8609.56314603044	8769.95335897004	8613.57262003372	7562.11301180049	9552.63270667693	7729.1784496087	7742.91805301863	7734.75448920021	8330.42668646859	7877.03158398484	9299.84219232644	7762.51453446084	5629.20706941979	7547.28373659656	6826.21250150969	9879.11170637215	8338.11668846489	7707.49981964976	8066.58295221492	9351.63289458693	6420.76423670693	7070.60903899766	9037.12070313933	8429.6401686765	8811.07458607534	7420.97881391512	7644.73551732867	10853.2071567335	8580.6789291517	9814.47492290924	7490.69103201669	7811.61205820924	8803.47473639403	8654.34755494236	8013.75852571952	5962.96491168137	8801.02070754057	7383.49627878088	11783.894779683	8428.3756073886	7401.44242107296	8265.44893838521	7418.73452145322	6907.9323611379	7554.06897776458	8344.50692897999	7772.80087457841	8097.09389601508	7805.49773554473	9944.33560455627	10155.6184242121	8408.00291153801	10455.0438858016	7880.7418464104	8780.95857201542	7783.4648074357	8104.11223188035	10790.1199727078	8227.26445283674	nan	nan	nan	nan	12824.9616167271	13871.9396888095	10176.7285755923	9397.3246015967	4666.58801952085	4379.14525809061	7010.38025022595
FA(9:0-COOH)	84184.6366362825	14119.20862	15435.66985	19816.8752	18324.63615	38271.2443056526	35677.3013357073	22961.3896440624	25418.5943696057	27474.6415882903	26347.4045782723	31148.6780472843	77444.5196402347	74343.4327532795	38929.1626290515	65982.431531264	19614.6044777986	24938.3295793808	23320.2039547076	126468.802897243	21423.5818764896	22392.2238251924	19640.5493863271	32071.9962224625	86083.5689906997	20580.2894626677	53959.7663383361	16017.8199819594	62581.1372590381	85147.0061120647	20347.7229414237	32548.9860686801	31275.0379740699	33698.2354943614	33002.2063021147	80729.4970568188	72545.6423925117	19558.1581683112	17318.294896681	17919.4371220593	39667.6991798285	21829.7010999739	30350.9404264868	47116.970125723	26635.4785478365	34128.6521112322	32057.8903459291	78866.0184400607	22685.0154062035	22429.6454866313	24302.0256024202	27614.4771417098	29882.2699185439	31446.2482714312	33760.7300971363	29203.0770879971	27766.5378270515	35053.6489274706	84212.4762146197	81026.7731827071	25507.8452059899	16532.5473847305	49417.7473940992	18964.8650878717	26489.1219956437	27848.1360340402	37998.3072591387	23174.9595006308	32250.8859476159	35717.5067208176	77795.4853654573	25330.8997996418	17627.4993926585	28593.452512266	24864.4981905003	72486.3443472677	31723.6575645474	80536.6160240134	17572.25463	15376.63161	12563.74914	12369.71012	35585.5335769854	32432.3869684893	23135.1533966145	24634.6735229186	32326.5787527358	28697.8416489955	82028.1713267933
FA(10:0-OH)	21686.1121339881	nan	nan	3626.401828	4395.241457	4468.51191158877	4545.6832102515	5022.30763291638	5213.89937970661	10702.0654515011	10894.5980301442	17331.8934939212	20997.6083678767	21390.5216884412	5293.70935126277	6383.16005338991	6637.19015327873	4413.65282557171	5403.37050827004	7651.34359457208	5450.56257929128	7025.39526730836	5494.34086532828	14899.2341540864	19221.4597308495	5001.49788960962	7798.60065994321	4734.52985037478	6171.69187664246	6245.99473334963	6532.24158399629	5176.80869574163	6480.02807559092	4381.27585804344	16823.8803651929	19943.3266045298	20759.9536693627	5678.76279809608	5242.73386565353	3765.86893455247	5941.34230954203	5039.00956701314	6165.28442916807	7204.14080257109	5040.24656786871	9358.85404392822	16489.4400041029	21057.3513181599	5227.74160685932	5067.83096800641	7506.31021542125	5358.52717525949	7261.79996212704	8230.06920148282	5321.53372706612	6205.31847067356	5318.05760211189	18353.9727434768	20838.2737963681	21452.8134511663	5815.05271027088	4583.52290387064	8310.59846542611	5740.95279834127	8369.77199973112	7127.66222483888	6411.32995316615	4267.17613321576	5471.61395683659	18856.5595118757	21298.3118473921	6362.61123489381	5155.77003555358	5169.52289299263	8204.19544804086	21555.3431350274	17122.3455129676	21814.832846912	4168.843693	3334.999029	nan	nan	3704.33639764028	3731.44191044826	4245.96523357263	4819.13294042567	10188.3900107235	11879.167020195	20504.9139902395
kynurenate	3645.98066852914	nan	nan	nan	nan	10649.1506971885	11744.8303252175	9397.99060038906	9949.60551645574	11439.8784337827	11861.776458406	1446.0075100207	2223.19920174818	3007.06061420288	1414.65326944965	1847.00125523175	1910.67194985531	313.267176653948	696.135140661966	1394.52335382467	1458.99505113264	2146.8357580289	673.637445754681	2624.43142597856	3344.13783084906	1044.36881442634	1333.82888970271	1586.92962542682	1714.16388772981	1245.41029961686	1416.20566149826	1025.80373729511	1131.07954008802	975.676657685489	2017.22505850727	3401.02683753085	2807.25939126337	3215.39104915664	1819.19532892785	1284.66357125093	2454.01657004741	1654.80799260468	1892.1265131254	1708.44533591529	1179.59667674786	2657.21287092188	2175.32427759508	3206.44328243478	1015.64029579749	1384.64221581013	940.313628784466	1194.55807666165	2648.99642297091	4845.80652288426	677.690385073974	3225.74973208151	8938.85804790794	2147.34497019726	2578.2914394609	2991.51253867384	1671.21028578771	1575.36327278094	1512.66536306986	847.101226104244	1625.05049377664	1985.93216513727	1562.90190471266	1021.37649882618	1367.2683851806	1882.20488186865	2773.55992346373	1375.12511779297	669.470808064444	206.457276377556	2153.28668665936	3294.44451299725	1910.03556339199	3402.1838266255	nan	nan	nan	nan	12091.4515216958	14373.9714756379	8510.5201607593	8623.10211386878	11338.2965876577	12478.7138391111	3112.31320660431
hydroxyindole acetate	2061.91298004905	nan	nan	nan	nan	1716.26624336002	1569.30579574528	1676.61590136901	1352.26357006701	2159.25263923431	2055.38600081321	132.765648839612	1612.32405414867	2129.85292324501	2092.34122053757	2053.22594859068	1292.15175181615	1205.17228673857	1472.07977146794	2254.18178570982	932.534900180755	2645.26977244805	1195.64983323678	385.557031227188	1505.96899789154	1359.08829338121	1937.04275042293	1958.43382291518	1922.27787653989	1245.55242621709	1195.85937062705	945.376433486671	919.038839566923	1099.79199492576	380.429478983309	2222.96116971365	2195.34412832613	543.910875465678	1838.11297444445	1540.24857578109	1387.11627509645	759.502873307358	1012.05831162816	2660.50156344939	1014.99942004604	229.110708071567	535.555273179132	1753.92390176906	4118.64012748726	2137.50320704964	246.584603705236	1575.30654283799	1227.81136357861	759.90684146359	1381.88839682667	2862.73697499936	1578.81151002315	331.099597149428	1878.27959411088	1885.56002942517	1218.08108675912	326.022125135486	160.229094608248	402.705429933719	1463.47558005767	1792.09580616698	552.736801088071	3343.00297976832	1832.79918762125	434.259723122081	1802.40574099629	1694.53115589412	1546.45139936153	1579.63403502418	1162.85174649731	1975.00554463453	338.266192595761	2190.56313534844	nan	nan	nan	nan	1909.6041135712	1983.82939857981	1395.78502555339	1969.28762347895	2325.6035681053	2084.29094008232	2337.92564999166
citrate	965494.082400441	nan	nan	nan	nan	351817.716176026	340100.235490011	171619.67359771	164460.553028918	290681.660407842	293283.796584476	313557.63939889	920113.158172842	923889.393532287	819513.809659075	724197.627296666	842956.029898817	856078.031464741	837717.243432243	616711.928785483	866843.650148267	814981.458250324	956699.846120806	305026.454859432	937640.4115103	999818.767222857	806988.014328428	1137962.93748227	958853.62149764	1063753.42816128	855896.592715444	919475.699960696	873748.42912206	1054063.51008669	313823.212682626	1003840.36574378	979666.82915639	887294.033701806	948190.802562563	887744.484164747	877350.087079723	934492.596264132	891413.113370748	1038662.94591482	883699.020193815	905949.641356888	304010.598274722	950029.905488591	1071164.19162793	922713.61836808	745710.128422408	801151.298125172	927326.095259092	842452.717393258	817762.347524939	859270.134045968	833962.374274892	315511.799687968	939111.392154907	1011064.66243837	889862.900677126	867202.270362234	770433.094540336	919808.754102502	830489.459294488	950870.452584744	880836.981507633	1158732.300225	843219.014362688	320562.729270738	1011837.42790683	1014503.61221059	940814.609246978	921004.326678648	1164085.9086853	1024180.18290251	326256.698811427	1006591.08772146	nan	nan	nan	nan	371320.848451086	364927.996412533	173570.220866447	177846.997294267	320753.231076528	314276.759642099	979213.187738508
FA(12:0)	248727.276676194	13925.47887	14358.80215	18543.53267	20669.32115	143491.849795231	130305.351006571	42691.3315996916	41472.8093565712	139730.502130165	138022.502216575	73752.7915007271	264263.929651412	261303.585767687	27499.7601424872	19808.4343163951	21404.4738708679	19899.3653516404	21108.6564110684	364409.722044145	23310.9176686312	60873.6631956843	24800.3906190149	75392.0094957676	264483.369623565	24696.0649156855	22520.339573769	19025.4299033774	18668.3030556814	21079.506536075	23940.7352278451	113246.742526051	20811.6240438242	228452.434991436	74231.6368058889	272684.377934322	279028.753192006	24495.111828605	17483.6926267937	23134.6020781229	233658.728131143	29503.0109350623	73421.5593945637	1341464.03066161	29814.4469515936	20825.9058405323	79160.5200337714	278672.033835968	21090.8276563798	24513.0848561514	21911.9929225687	24756.8680482271	23815.3216776003	27436.7420684894	187069.76046597	25569.5003808294	22366.8012180125	76677.7155286977	285843.721417939	282599.221013408	19905.967896205	22564.5040397426	388285.303757568	23823.9226055037	23674.9199422978	29089.2600677156	372252.368664326	29772.0031198908	32743.9928579207	83285.280134376	288236.352922671	23140.3156075574	19036.7153713405	245388.304356677	24764.1137909647	292239.218836426	76499.6199223501	292619.254040136	20131.35433	20337.25045	13758.83158	16301.21403	140599.952963953	147009.967977266	44797.0213549691	48776.0142965831	160240.693389028	157869.507062767	297929.581891611
FA(10:0-COOH)	12562.900690809	4543.493846	4558.550767	4609.791263	5422.011654	5988.20905149331	6635.04350356817	4482.61520205433	4873.12787049295	5104.86963378521	4549.74681019939	6130.3884766697	12611.2320054698	11246.8693017222	6886.10287327581	9640.45241683513	5807.06775610424	6515.4406703423	5411.91677901407	14703.7228302455	5379.82136202898	6086.49909515334	6214.97990935716	6267.25444875727	13178.7483601931	4432.09280033732	8129.87029708359	4906.45193961483	5135.82140088714	12451.4295479794	4433.02421491435	5585.63266780243	6838.2471557972	5890.09400570188	6256.50416788508	12791.3311727961	11787.4330821107	4600.41562964548	4671.25845794585	4254.12978996717	6190.60583210845	5619.23451724974	7504.15631317664	8272.33584784424	6048.57676405626	6304.55691582416	5463.68846695689	10871.6312198927	5758.99218851829	6654.25084691381	5879.54928827712	6025.07309208259	6491.13177952325	7673.83505704443	6008.62020999647	7220.9066061712	6395.66507906255	7074.61532740732	13220.7870862224	14363.7444640275	4784.0620509408	4611.77324393149	9193.40310842476	4741.7048531883	5627.41205383521	5755.61818476482	6130.64946853512	5785.25784792628	7230.1735603268	6975.00389227906	12161.3938388648	7509.54846410013	5068.13795242389	5085.38810671546	6634.21798597232	9379.7599765717	6072.25004476788	14056.5334386732	4476.985368	3835.44045	4874.197803	3290.857174	6688.98842268845	6162.40265435773	5532.1325009201	5021.69097448058	5850.40497233325	4960.14823282219	13799.8163162645
tryptophan	353803.943722778	nan	nan	nan	nan	724715.515783854	728277.289656448	508888.378616107	502205.87100275	215097.330335387	217838.277435579	485354.219571317	336837.130628072	342191.389187486	362646.601989795	364852.233703196	419976.634849242	352640.461995746	303683.81506163	418976.81227128	343837.503690326	390352.124562291	328070.582348613	489153.478256568	334816.60216374	306424.647009239	361270.081348385	381818.772730983	344854.966922229	400938.167725068	302983.441160885	296942.838322377	284169.043475364	309200.377838375	479089.760077577	329186.601614733	330536.725424563	319585.97135467	388826.876687919	293033.47434986	319911.917995298	337460.532818596	328523.610449348	353647.094709916	309616.150111482	327445.941746016	484996.770125134	338316.262459423	400751.831574408	308024.828421715	365440.676876634	355650.710354767	355899.138080269	362889.423075563	280775.962210845	378221.453254781	294826.559057745	507075.316169916	342838.684348078	348660.502177284	316505.915856066	312920.927855387	314755.713039649	324318.553333484	366518.846654698	357984.156007834	378597.383164439	364393.365446293	381791.661524537	514297.871010735	342888.991059217	475283.864232678	326063.753283711	345587.031791109	380796.532388219	344550.724606896	492954.735647083	337098.329695207	nan	nan	nan	nan	749898.458739476	745124.539129422	521297.098499442	524767.441987764	220105.837098457	218007.683006295	345326.642910751
N-acetylphenylalanine	8305.6779506971	nan	nan	nan	nan	4124.78507741565	4006.03665845822	2892.88221699749	2601.65426682549	2263.55947673502	2247.94012028632	2355.14313920634	8376.43305547871	7414.45769643238	10041.211386411	12798.519675646	9601.77288293917	11118.5103316994	9422.33265417932	11396.6600442623	10029.2819528981	7235.07298243799	8778.29733946366	1998.08593246156	8359.39421542088	6804.70737181325	11472.6017808104	7020.91874380443	8473.55880922949	11157.4987213029	8992.79420882384	10252.5846812087	11668.9639785407	6463.11623267179	1830.25503522555	8394.90615570732	6764.8871925314	8016.57758601944	9831.15863809559	9412.72688263548	11296.3324243271	9657.37582679516	11240.5568163287	6602.95620859727	10343.6610509431	11084.5098116086	1645.30263376544	7056.01792554144	11203.525546926	10091.3774040488	12122.9952721956	10921.0420619625	10327.8244907501	11346.3742287672	9575.92733357236	11803.2551575433	10161.4160917601	2080.19881400598	7983.47743867058	8542.48119137111	9613.64393590105	8163.99194492651	8770.24342370368	10812.4969198016	10459.3727762077	9124.00382655423	7574.02334913898	8359.82907293711	12060.7904872317	2184.35574607232	7203.27315115345	9860.10710683509	11017.3971477302	9202.88393825936	8752.9539825335	7012.73840961465	1599.4342999379	8790.38203777579	nan	nan	nan	nan	3784.81290837233	4320.70277503019	3001.79916503587	3555.02075288764	2016.68437521582	2413.3453905269	8423.93208436556
FA(11:0-COOH)	30872.4626866273	6808.319953	7644.73962	7716.631293	8567.356084	11103.4113254397	11582.0090672735	10386.4710523494	9821.53212505997	10273.0841760125	11428.3569006627	25204.3762721054	27929.5987280364	27749.1151762843	14261.2057277212	16580.2773096046	4370.75858027141	5228.00950068825	5910.10276918305	29487.5922933347	5584.0305588939	8619.16164894143	4888.88426234281	24816.7503322158	27398.4525158045	6172.93092017986	13195.0688331933	7203.40472405217	25010.5139609679	15307.1223237276	6430.74984612802	8793.16813389078	7141.31825274715	8562.81398796588	22529.8296400194	29927.9892695203	30140.1713034362	6540.98008962783	6783.55446212135	6147.78170281449	11567.2198403095	7581.06991732095	6579.72104057607	12782.0281191497	8024.81464937832	7789.54385889693	25855.0127979	28970.0807345333	5636.50269620676	8053.41521937096	6377.58528060612	6911.39117960225	7954.1271115147	7492.83512965083	7445.84373027328	6546.60303744441	6704.92342650462	25279.98132616	31106.3039372109	30474.9568597277	5594.57505922141	4365.18930769362	11242.2455762129	6324.69994464702	8656.02470504534	7182.18325837965	11121.1176906714	8553.45884603582	6458.11200624753	26599.0593367079	30823.5427796961	8855.9005143856	6381.63337438629	7198.23473352483	8998.00674821408	32172.9386502158	25646.3861934005	35090.8118188918	7106.585861	7442.322665	6543.351834	5132.894218	9990.15045077434	9745.86734409798	10210.0760727873	8775.35744336258	10798.4742285877	10510.5088402207	30184.7477851418
FA(12:0-OH)	13222.4176678584	nan	nan	2972.266227	3338.386492	5704.45486411381	4497.21396101072	5210.78800732454	4875.67346059827	6308.21087208535	5703.75724057892	3607.13483726575	14517.0189072718	13568.8654593708	6193.0172261999	5676.3763660666	4698.12673347683	5269.24067601597	3916.70535895839	8780.41787879754	5310.02091975166	5111.65929450805	4031.29971432115	3162.23626547704	14440.5574362947	3924.19112304956	5279.84957204742	3804.70454701065	4209.34344005375	5492.00598728238	5159.89782672318	6073.2004387228	5631.20579754071	6889.89666232396	3504.54249815164	15345.2823504026	14930.1356912533	5001.81458138979	5162.19865898015	4818.37526377852	7972.71131012725	4578.56972957519	5100.0813915127	13449.6798198351	4690.28393838946	5312.16388365498	4262.29301149222	14073.7453538274	5307.91594799362	4855.72747229124	4736.06042399972	4793.26802376998	6081.79180302716	4882.46405757641	7014.12929124441	4510.06886639381	4648.76433217668	3757.01966521484	13819.0165517844	12342.0817935473	3821.94022901716	3451.39355760678	10124.2276193016	3720.98695960392	4579.48474965255	5617.24289457508	8875.56866224362	3079.23464859457	4726.59431041383	3693.02070049471	14138.8123246719	6157.65449918975	3892.21291408078	7048.05031473879	4849.92797375898	11186.4372060223	3621.68751912919	14247.8817710123	3656.576101	1747.679319	nan	nan	4792.64767592735	4516.92389485641	5340.10359560676	4454.68551660451	6142.57958345769	7281.83194084174	14634.3991398824
FA(14:2)	10697.4111334548	nan	nan	nan	nan	42474.6684206423	36339.0572189375	20795.911796903	19868.6822876718	18040.0992148276	16369.3570481751	8588.1792955166	11222.7013939154	11487.5117023033	5462.28177857282	5284.59746146846	6851.44317108412	5200.32868893838	4820.04729174981	16605.3880323597	6361.34151310365	9545.91909818548	5540.90909246789	6666.38086343969	9080.56005219051	6360.90838457934	6970.82091707822	5254.20144751519	6101.68901165171	7474.02429475123	4850.70631810961	7567.30831098615	7515.52142549977	7115.51995050888	8880.69713706384	11452.4082202235	9905.37187101608	5149.84785383768	6211.50285823264	6286.70162600036	9660.56916261325	6412.61616489015	9253.96260827811	11885.9052491018	5834.6043705244	6299.86343372787	8553.64178873148	10253.3595859294	6067.01147054046	6790.63792139453	6336.41171800795	7156.63937405488	7494.92078376919	7451.55959117793	6033.37688305951	8428.00433374976	7201.40739957075	7420.03897748837	10053.0566891774	12149.0062570269	7169.92682007421	6374.76899070626	9018.73640085104	5994.58547410452	6454.54904205144	8305.3894725506	11713.5593283024	8631.92116281362	6935.74570646508	8051.52827535271	12003.1421233709	7727.09826391893	6017.38428785925	6406.74611487185	8511.89821444584	12318.3168744728	10613.4954443272	9040.50653212315	nan	nan	nan	nan	41418.0009472399	42189.7396644538	22326.4057039038	22707.2052617527	18952.0092866661	20366.4477869405	9996.05521334142
FA(14:1)	72728.0500788891	6682.717457	5007.002455	4455.571492	5018.771012	185427.793298384	180327.139461471	79360.0870256527	80282.0008309222	673496.470542798	676688.4988449	75583.0156641883	82098.5913561097	79762.1694325685	55558.1082748373	21244.987826978	30834.3058840197	23091.4147487054	27530.8827590059	46553.0361806485	26863.6155656667	35217.5158314913	32516.3632075136	79170.7098788862	84290.3190281175	27281.8744318473	34237.889767726	24870.5987123379	26477.8089127855	31802.4506071739	28515.8038653084	30442.4333749876	20143.833930754	27190.4396297446	82740.6460968272	87116.6543500694	80313.6427964257	29880.2223795498	23983.0748552269	33785.428645316	40944.9481984829	35284.8654386055	793318.481809785	46302.8899141378	95539.8348664133	35855.6239613405	83869.8266472118	82306.0465517518	31543.0409782879	38322.4178531983	24046.7310312068	33847.1557256477	34105.5826867326	41207.7665747222	23394.5948404988	30974.2943690896	23162.1058357849	86897.6941086836	86571.8457272516	79048.4178200575	25848.9376562691	25886.0448066466	31790.2674861487	25470.9687054418	21360.9789184336	82286.2543736205	38905.6011193074	91735.7244795968	118616.926077334	88015.5809137225	85843.0201006654	33220.171128952	19779.1109463615	26530.153126248	30053.129166765	86770.777177072	83263.4979064634	84641.5692200482	4939.195336	4704.548119	6952.923783	5908.999884	197660.326201089	193807.285590111	90700.0137262039	89550.4220128883	775453.060384537	774912.648233734	88229.9930878136
FA(14:0)	1263303.35014175	23136.08237	23582.0938	43245.86977	43552.56182	2903252.04719263	2796733.13727939	1320109.53606225	1330391.18358511	4412813.46988567	4435770.54840262	1124416.17837673	1576145.88139313	1529625.95052529	442368.057935312	306175.14333143	358630.225551469	279468.957432614	309411.339983144	1748203.16311679	296649.425056682	470748.972892044	384499.665367472	1120788.88506257	1578361.44031427	347403.954230562	434806.623697372	313158.621566935	320656.560373496	328268.858798157	364635.895532694	609631.761963622	294423.008987881	955886.556377861	9599.21215112335	1622405.38955607	1700433.67682833	373445.040487284	286016.466273402	346375.173193907	1129550.59971933	467647.438518908	2401634.53533908	2441680.61945606	683204.436933072	450794.301855805	5598.75883924831	1654067.55760674	411898.445088521	434310.397931727	377835.369909021	457390.196863281	382865.855013207	430917.285610283	686599.991097743	406364.194997317	320171.770504252	1211588.23811505	1686571.57884785	1673919.94689359	345748.299144829	278314.278643347	1553547.67946719	316782.81592368	318425.982235457	540962.909489053	1583547.5841104	679971.08551651	751408.833962464	1230527.88698291	1692828.90533272	365301.59981547	318115.969356916	966517.564191957	336371.391992733	1681256.59497209	1220709.1096363	1726972.32902688	57790.96329	57528.86071	28912.58475	27296.51832	3165611.95034403	3126755.78238156	1478051.31048074	1477390.45080809	4905257.92418808	5010603.15484931	1828515.09099123
FA(15:0)	308651.485884772	17183.78424	21199.29064	34207.78714	34849.18996	965571.043157052	938093.290537836	515049.697586649	516834.958995699	791946.05737811	782883.377139178	276456.750609456	414761.061436781	408798.881680668	244788.539266159	51071.7999857831	54112.2983520885	54935.3378350934	140226.438369902	135093.169236206	72086.9667085818	103474.392291308	118458.954361239	269651.50488282	424194.541202603	119720.76430794	153755.263057053	67639.7434165715	77926.8431347001	74929.5063126071	124458.006860126	91644.9533816622	84218.8737872523	186272.078122875	268331.582188561	419356.436314781	431022.169185625	133368.8423578	59643.0497288198	151212.465348438	201267.193264168	216030.110261286	2469374.25000512	227900.817418095	573535.408132362	120906.485967506	288556.760806488	434973.267441745	154132.373928165	175703.366497946	83409.6713536095	146989.611827159	124532.183959813	121214.542416798	86497.6282186898	108703.156376375	68862.5544569383	288144.110366543	426368.557593945	435991.276844542	91028.0137862255	60421.2077558614	157878.453119622	67643.9790478088	96687.0434947261	323676.847711953	168784.989652936	579514.61166047	528014.308756244	292176.121622685	445280.555642762	77865.2769825258	72918.2005147885	78502.4854904271	122274.126766748	434805.649098164	295069.446115178	448230.241192128	45035.60747	43959.99127	24321.71399	22570.0055	1009306.41688901	1029945.48544211	566745.473170145	567841.300420298	849113.238880596	866964.311776954	479914.102012586
FA(14:0-OH)	34201.8007293183	5590.000688	5442.143644	4129.897115	5051.474325	83664.0157269586	83476.1586901032	19273.4265123131	19678.2813100702	15457.8766586358	16105.7817656142	37157.9311166852	36726.0197937974	38907.3475079936	24196.6146544376	27667.3102381957	35056.8512213497	29411.9649613835	23557.3262724017	42279.660505281	22339.6644687376	32281.5832087818	25715.4026177019	33046.4898009749	33786.8361364896	24366.7630408894	27272.3688669979	27212.5868722424	23009.7591997252	34955.7760682179	22906.9828285588	33106.9751725659	21061.9203534187	21164.6192191051	37014.2295193744	33981.336400641	34904.4613063981	21590.3666684457	24700.5195423954	21689.3557133618	28065.8083058494	21542.0101359058	29026.9994178285	27926.0795955604	23589.7270786791	27337.3047764654	38734.5493842626	36412.3369861354	29296.3210496831	26806.1339438301	22421.3567545958	31740.5523770872	26369.1695336044	32134.0228981886	25626.8600343367	26684.7979993627	21974.7044680977	37452.9203746046	35766.9429754689	38863.2526683223	26320.9504970808	23586.3560546312	28146.7312438822	24283.9509660021	22908.5916595108	25808.3874500213	33701.5171997638	18650.8365144655	35861.2972541963	38233.4051778179	37645.0274179328	26880.0823267303	20703.4114239986	25557.8498364357	24860.1532621178	35599.2981802967	41494.1538218978	34360.551924905	5967.428227	5814.618356	8181.88322	5383.827547	79959.6664666657	80100.1709235875	17291.8916831856	22425.3682991832	15533.4498036531	16422.9717019812	32378.619343256
FA(16:1)	5465727.05676104	51735.80813	53311.51131	60883.29404	57519.10821	15972058.356969	15483510.7515332	7355053.37599757	7257011.61767178	21086911.7554864	21094196.3635323	5901519.71526376	7099848.75239921	7063073.33813877	2913788.21638225	1619110.61673204	1919910.9402135	1501128.50424071	1408528.59799014	4493600.52932089	1497011.61179403	1870310.91979826	1835830.30625594	5899499.929563	7286202.58503555	1492130.86409407	1993845.67473163	1537527.90153455	1902512.80711752	1751972.8650889	1610274.45521026	1800030.10454894	1259552.78474414	1814874.20919833	6104958.96757858	7588381.65571415	7768822.78622993	1711380.18474819	1429684.28288859	1686628.82457118	3033096.55155973	2096016.36879171	15929005.0765608	2658767.10234262	4382737.63858661	2216986.26900568	6390215.75005224	7489978.54292277	1755442.34940404	2166085.83064077	1744196.30156151	2006092.99462059	1729489.0184833	2089926.93711213	1419761.20848325	1898616.77409301	1572219.62238694	6144354.52825913	7301410.12945712	7422779.75536034	1489493.15098189	1357718.42770543	2755190.70482033	1374768.2737045	1268544.15468026	3813014.90857261	2790972.4142695	4290086.83811039	4646599.83232694	6175794.40301751	7450278.54352202	1847722.96976312	1355558.07768878	1683126.50381077	1373704.52931637	7394271.547828	6161517.79221068	7371015.26974789	109586.5405	85471.51316	75015.28535	73843.31688	16237127.9952926	16194614.4019044	7957041.60069714	8031330.02279839	21938383.0494737	22149468.7066468	7980631.24648337
FA(16:0)	10081589.0426748	704184.2558	728296.3678	856912.5271	857364.5541	25696767.8143663	24573132.4015453	14614998.7970627	14555247.7421993	24160676.8509279	23769801.241186	12566340.8141306	13729312.1776053	13733933.9892473	9710273.04967997	9958060.41663999	10538694.6743741	9677133.67958841	9587687.20426482	14014646.9565254	10132837.227757	9667584.70861705	9380662.29287235	12755754.6433034	13913197.8019477	9565173.28525532	11456236.4776516	9241044.43226486	9803164.16120281	9975750.55776513	9811484.39189026	10948008.3830785	9980441.96549021	10380381.8422249	12921509.1808967	14106234.0890928	14324881.6478825	9470432.4144897	8558197.41711548	9018802.59561747	11515323.9362449	10201974.1536043	11901153.147398	9892173.18687108	10694954.8268295	10366190.3888574	13675193.0966097	14866604.9857679	10559560.3443128	10428238.003288	10462206.3388755	10792294.2459725	9948282.79517724	10119560.6602693	10607305.3724627	9760130.83816533	10034453.3874546	13526308.2125533	14509280.1272529	14798561.8335393	11296053.4682519	10054752.4240215	12029496.5921567	9787400.00395067	10182715.3390481	10690229.0354586	10896799.8930961	10537233.7969734	12312381.6197736	14160782.6153416	14927416.6927018	10844302.2870177	10315596.4413715	10632547.9174996	10426952.4838418	14861853.5998395	13723371.4387981	15011259.0472706	1338324.797	1182821.189	996461.6637	1009361.819	24771732.3153095	25232183.3133571	15695860.2504986	15792264.6134134	24970036.1720976	25003304.5362102	16012635.5012613
gamma-glutamylisoleucine	2210.10005167046	nan	nan	nan	nan	2185.82479336591	2078.90902368038	2033.47404129765	2006.37583275589	1434.65482788645	1684.72877414766	536.635908796507	2604.57403349264	2109.74569908584	2149.85045528422	2286.0714823265	3104.36357182565	2824.61044607287	2673.62917657102	3572.48145586294	2638.4471586156	2300.83912847558	1979.83894907762	929.376232564393	2227.21250454753	1478.62429543327	2768.85570155485	2347.50439124205	2097.0452488395	2807.6576848726	1760.24103076979	2298.97394596631	1651.24356004416	2297.25560373457	702.860427902144	2112.15430557396	2352.49729209348	2059.79487324245	2144.41264689962	2309.99750114671	2381.21949820313	2125.80602067966	2109.39953636496	2432.79642206455	1872.61696040623	2120.51914102746	714.964432857636	2600.71728626962	2695.07491292388	2622.88914158841	2612.40670926303	2319.55931651786	3057.34971244781	2267.53518691418	2493.48810561912	2162.59129989338	2713.46322710109	799.871822096311	2843.07482557471	2270.55151192876	2346.83433813645	2122.41625127994	1801.85040647689	1930.32809161521	2696.90042537948	2711.80050995436	1890.30645698853	3361.23474823257	2415.74754313132	691.209952141792	2597.30905195733	2687.57780478589	2507.03511250174	2242.96559195805	2474.49031071287	2880.35970497167	710.718036903398	2263.1015702995	nan	nan	nan	nan	1121.21598436886	1617.85640306626	1653.96642387465	1689.62516359248	1866.27935611994	1024.61525450863	2571.68767131923
gamma-glutamylleucine	11296.5299427187	nan	nan	nan	nan	10615.0326446553	10955.0723249843	7196.79542920825	7481.1487565095	7300.1479668275	7501.30642600479	6430.28942233743	10965.2611256873	10906.7797132925	12383.3445199363	14804.4219801871	15467.3531871563	14902.2422951507	12962.2701758828	15212.7275069395	11861.3217435863	13071.1446945607	10956.7470582024	5947.83588958446	10372.2434006484	9704.02581966706	13623.9812214733	9513.84363436478	10121.8461289878	14154.6741703941	10458.8026720833	14557.7466270255	11624.277854638	10149.1659359359	6422.71667863142	10939.2531133008	8845.74093186081	8772.9079539691	11800.2460647959	9797.98873876335	12911.8366901937	9818.15167423923	12943.5376024902	9496.27542303488	11002.3624871218	14292.507230649	6603.65180882135	10295.6233248562	12711.7592922399	11452.6198009808	13999.2188707266	14170.6277868444	13397.5402350036	15673.0661310207	13603.6198309291	14351.9507911644	12185.4837040673	6350.80524384681	10633.6065379657	10637.01857148	11742.2974291422	12179.4825973153	11891.9625285692	11981.5473019272	13765.3508707067	12234.9938863038	12227.1559784156	9489.95610419841	18127.3869031293	6409.61157186789	10549.6355710833	13819.4137585639	10737.9762684017	12132.9250671966	12841.4313506412	9631.05881851466	6384.88247948026	9836.42394684077	nan	nan	nan	nan	9863.58637077314	8823.20770743115	7510.1114022227	8543.63556304121	7491.71778940521	6680.17578194811	10977.4673367715
FA(17:0)	808025.037069866	21042.85286	18322.44628	28558.08999	28642.25877	2794907.08765878	2708449.94170042	1506186.34539586	1501877.43681136	2765625.7686659	2681351.39566835	792550.93759684	1191844.29809729	1168258.31049637	472870.428306205	518906.638874594	403011.326971164	449469.377798153	457009.809339475	968862.364883259	432459.130803633	318094.265261366	343019.681217986	792724.320233915	1275198.36601714	439354.825650047	625561.333765242	337361.90150767	376789.605150794	503549.700841827	447823.140376121	520902.730217494	484957.829161988	689320.734985734	807750.113449881	1267127.0628831	1282949.25206825	411338.616498287	350076.458999649	400834.402603775	702894.040334291	604172.947890444	2938077.90428982	667095.980027126	885778.516259657	416307.722858464	762768.171439667	1235781.73472403	539542.824745073	491034.071867239	411842.288888149	523241.640497176	383954.628823223	377242.852757001	457688.356344948	340682.115926733	444596.058412105	822734.090527298	1292543.45540237	1331020.43051819	621318.137547578	394271.363392022	714650.960215816	454015.758945951	430735.568082031	570875.456568647	568920.345936043	834911.923302638	927389.834865863	888051.814970818	1317962.43316805	526605.092952983	430158.394390421	513115.040981555	495207.298694485	1307416.64300782	851597.346381276	1317424.66030019	37364.64309	31656.01108	24265.05709	25270.06533	3005833.18180212	3103804.44826039	1609921.02442996	1605024.27665477	3141374.74482624	3139398.13387157	1439716.31844703
FA(16:0-OH)	139276.847128519	14414.49808	12132.13402	15737.7605	15388.25629	374608.508823464	298538.154570595	288184.549516387	279028.762057779	338946.241123845	323390.571788796	159295.641465059	189803.7140706	190839.368529611	99552.2605291598	122738.488818526	89373.5966900621	84144.6231695592	99456.1084147116	151244.800437869	83157.9338083816	87323.811273357	83069.2878029509	153975.708597482	181088.601142391	92462.0628311886	115466.153826351	69023.7558756204	69137.4249594589	79683.4829745567	92471.7725760694	92063.2521533415	93203.4013558248	109268.455053681	153368.302685891	181456.748281572	185808.403562601	91295.4780275467	76838.6755091912	85379.0203235858	120555.38451877	117177.59658062	189688.887157301	102405.487947442	138171.679088996	100800.61149368	155089.177472643	191943.970071119	120404.223904247	115320.980712956	86152.7672530543	114516.723541057	94871.0825305326	91311.0328894826	90662.8296737384	92317.9321578439	85527.5423532246	161575.393601591	186784.786165149	195377.388380354	110190.617127251	70927.150694999	109246.638788673	79622.5678424195	84763.1065066221	95593.6280853818	109596.304897387	131083.351449002	143167.090476616	162551.588049902	192951.172483881	97584.8856356559	80058.333980484	86486.4222113152	84609.2976666613	196291.883136177	161942.000079672	203556.524155907	116419.3213	50154.12648	31330.5205	26316.16555	259464.742277902	269208.510263621	255033.800046061	252001.2796564	300843.563071324	308726.727819827	215044.227456036
FA(18:4)	114764.243451471	nan	nan	nan	nan	484355.094249441	459700.382210593	197413.32794235	197737.578984357	2666908.47200575	2671172.57575448	103820.805513494	146611.802882832	146075.969673825	4691.74129458247	3667.14967227942	4170.13122002055	3601.09561682647	4235.0120633284	7687.71313019962	4610.85071122895	6806.42691033015	4714.10727697946	106524.737397381	146214.072530959	4506.76419387422	4057.41733913185	3976.44438884821	7379.79274614506	4004.22504322613	4292.92886372113	4755.48419724548	4053.27571710903	4207.58328949073	113699.482582147	147569.615321361	149612.746516678	4282.69606406161	4350.43591184154	3581.77271624792	6267.00632510218	5110.39451995103	8981.86914386726	5099.20950870788	5001.96076196719	4385.32387724826	111687.838414149	148058.174970579	3782.22033979225	4522.05617794836	4618.34707625037	4753.52605879202	4394.00323301758	6297.06992798328	4350.21726413312	4577.03366924251	3585.29247965254	106874.564817441	146192.450575207	145290.217527271	4129.1177853243	4347.22753010707	4968.70701433808	5439.11642830559	4002.83468127127	5118.25452921687	5878.72708731085	4479.31361658655	5383.16989877931	111303.144112931	148597.852671157	4931.43572710461	3929.68566733241	5043.13597203486	6366.78404317021	146823.790016128	106772.693349141	149874.707952112	nan	nan	nan	nan	491433.160873137	491497.628577848	214263.625527473	207843.400466495	2798452.6743128	2853332.13590927	154124.5362726
FA(18:3)	2586975.24638612	nan	nan	4620.220435	5349.644094	16877063.1289814	16316747.468196	8510802.51110459	8536693.38353461	14732815.1706814	14643605.8071889	1835636.21815414	3488584.51962966	3457975.45967795	148025.092007636	132709.508324536	170865.945002045	128072.420443937	92215.5570649674	429017.74812647	110727.99372286	177459.131072911	130008.708370912	1813762.52339684	3519073.57801792	114840.714489766	146766.069660837	112136.047481567	189395.647364379	151908.212351064	99130.8334017113	150716.537397994	111302.304154816	106293.981649726	1868750.97497855	3615333.52246341	3683872.6394456	116569.328843577	128578.762337373	95127.7024303899	211042.195391673	121514.193720885	541249.829920186	147142.891813432	155567.928732744	155332.275305104	1938029.12664897	3585664.43462818	120223.268391715	119081.196071613	132676.15971819	141428.750228802	125101.851426558	168804.572209426	84566.5759302747	148332.443848086	118425.194778514	1874222.12525562	3477145.72041595	3591746.8198431	108231.461524458	99118.0412272904	199932.282410694	115868.132921827	91723.8806671269	176204.892525251	194554.410102702	158699.581278093	207008.734925794	1927326.26695515	3584083.78779602	160122.04539889	103834.840108909	99102.0387933673	134883.901028791	3552008.826628	1891017.0213803	3559030.79769858	35953.92489	18269.03683	8769.421485	5072.418693	16532152.3699316	16602839.9786344	9099771.96854296	9195154.77126102	15114410.0776261	15312682.3712134	3828151.5762777
FA(18:2)	4053951.12408794	143370.8314	131729.8701	172785.6866	170093.5206	39347491.8406919	37377889.6487151	24031113.8620012	23986260.0428283	31806821.4032222	31610647.1172586	2739901.20861306	5030471.81976484	5094706.32718277	634875.306645613	380383.615378313	411341.738740666	316268.705706752	343048.554162378	706977.18639543	297180.683335838	459766.39145216	401824.816550989	2555808.09405218	4907246.67225098	346369.56456195	431111.593404799	312317.992988694	486673.032097904	354586.732101025	329985.561220392	362955.712073814	346614.554570518	333284.432404103	2509495.64555768	5147840.71166443	5035652.60853145	381228.007198529	302805.920780502	382702.571218524	542990.97059836	477593.422185813	5730316.67007271	510729.715807017	981294.279028117	456778.875837794	2758725.03642084	5339209.88406613	385879.580383852	446132.985166406	402468.052508977	431071.844733871	404337.975227109	440960.625860592	310307.961000513	441379.596483985	400607.076894669	2743176.30963285	5184110.3120863	5358644.65782858	310800.614410199	300118.572289136	512836.196480081	328693.421895321	312245.552762413	773901.821953078	461439.620802	1080975.86391255	1109013.32826752	2865280.42440844	5409973.34577991	413151.879505444	328260.07039149	303411.386119082	410745.367715531	5287774.21320608	2789036.49166091	5329282.98723133	680836.0184	357159.5247	220829.5444	188064.7902	37598447.5847282	37910668.8130342	25099259.8450729	25372745.4402782	32811522.2912648	32986015.7021708	6086863.79774369
FA(18:1)	17104775.8342473	399337.6133	333249.9134	448645.5901	452465.3229	47116796.5538017	45362271.0938435	28893418.831305	28830373.3690067	42757792.612487	42560040.3470942	20830424.5884173	22463055.5630942	22271047.0229119	16283371.3150674	16232213.3210518	17072846.363909	15633200.5887653	14894359.4251434	20243412.8883445	16644596.3052276	16588980.4737753	15946409.8417268	20975160.2659355	22709104.6989071	15154635.7662673	17176157.3702343	15974113.0456136	15969864.5939362	16297547.1021507	15684824.5057511	16740977.7147876	15208364.8188128	15426154.6941464	21573192.9830571	22921535.282712	23294703.299279	15864694.2901475	14973214.6346019	15047954.5648662	17551080.4123762	15662139.7660486	20240144.5148175	15575617.4192448	16580525.0182725	17088218.8920451	21590584.1539411	22893187.6030236	16102660.2735788	16226492.1612901	16521705.0130013	16258515.1694446	15826735.976862	16695735.3836085	15535781.4615799	16473040.2466336	16089163.2258723	21482670.9753343	22905658.3455852	23124694.2237768	15833028.1753032	15767241.2447837	17478364.8891535	15322834.195836	15500489.5867556	16933994.3401003	17037910.3372593	16063896.6211197	18128609.016545	22283908.9439442	23128284.2417489	16933031.8871845	15841581.9841715	16030483.4865067	15429746.1191207	23108357.7551838	21613773.1427614	23104112.6201355	1467337.573	937692.1592	705387.9444	649454.869	44776350.468084	45231677.8892451	29535665.0198905	30010212.4049731	43496397.260933	43844466.0812678	24411472.8778312
xanthosine	40865.9232119948	nan	nan	nan	nan	9710.94872382319	8562.0575214291	6670.35156482305	5765.71800199787	6826.78541703309	7185.33431581602	47579.7893862579	36166.3639951846	37175.0661722346	51530.792192072	66812.3898443073	59489.9298536562	43700.2485729538	33473.7860326476	125935.791680161	44989.0935314995	58429.2068827484	57567.2122270994	45193.3810806381	36575.0536790687	28090.525657772	63074.3100336555	36395.3778438119	44550.7926238688	40512.2122097589	43011.700465311	38676.6810121117	33029.3039136847	24474.5148355303	45669.2321875262	38618.6290713975	37102.0483200802	42339.1587323313	32063.8126145179	33466.5285243347	55577.8525435799	39884.0946890913	33389.377015695	28758.2085856034	44419.8299351262	62983.5630138748	45906.3972391038	37976.5750386586	40193.3075285518	47181.5480954196	58039.743209293	45945.0582070032	51943.6570919653	60211.8613818553	33368.5686217155	54655.1917042847	60875.8677554989	45757.7569910663	36453.8497763202	36440.4801712638	34781.1334846007	44365.7178810811	72076.4201338395	31450.5688890423	38959.4934024917	54459.4298642965	39450.6920285869	30404.8049283326	52721.4336964812	46051.8179704065	36391.9374085548	43451.5796842372	31466.149203348	35219.5670583611	30103.7046197114	39675.9545488024	43897.9895757979	38466.9191974402	nan	nan	nan	nan	8154.87421143776	9494.35773125158	6770.74313382596	7327.00529153033	7012.76423313886	7254.6374094716	36119.3187998123
FA(18:0)	11772018.5548622	769683.1984	603603.9462	825761.9034	790814.8211	21298224.838086	20366221.7587939	13077362.3759933	13145496.1353675	17017324.9476442	16473198.0534486	15443446.1569587	17202093.8895395	17137242.2808479	13792558.2364559	16049220.5367348	14817334.7411207	16283962.6933551	14760109.2166115	19458559.5595516	15894694.1979712	12123411.5929159	12872723.9190239	15662128.5941049	17438012.3627604	13898928.7156592	17880265.5022025	13294746.4632049	14065160.7016675	16947850.2620131	15404966.5821545	16436663.4343486	16474279.6247102	17271366.5451821	16500298.4427049	18147141.6731277	18092456.3794167	14117033.8435508	13713618.5300528	12566012.215009	16547991.7172241	16684937.7739669	17254554.2964351	16160803.7560736	16321674.8538186	14722311.8853999	16858441.7673818	18135705.7186467	17467074.2020916	14874515.6581032	15196505.693744	15443917.0558019	12882341.7829892	13797198.1240955	14137628.402852	12205173.6198242	14701023.2892569	16356050.9251977	17765708.4418605	17779506.9430022	18669217.1541582	15343317.612601	16672085.1802449	15651634.161873	14781604.553389	14577325.4206508	13514576.894929	14630206.9140132	17997043.0079915	17192401.6118882	18240770.5706261	17102324.4750695	15931968.1610193	15723695.5204922	17283252.2731289	18252511.4387008	16826339.5168341	18522358.1653431	1216862.893	1082665.944	1038519.03	1030538.428	21217535.2124131	21847882.1727795	14197640.4385231	14320013.3215506	18404265.9476348	18457647.0212207	19737874.066055
FA(16:0-COOH)	33000.7692107863	6591.35688	6581.338709	6821.744635	6976.081268	49554.8329900496	50988.7259339704	59627.4448892154	59515.6313711548	34055.5522427044	33671.3759481748	13766.9492407767	33908.5726670084	27847.9328206194	17159.7013049629	18618.546154658	16958.1525545095	16895.5789095428	14981.6773611865	23189.6743222996	16102.4774210593	22691.9335216746	16979.4360408362	12501.8467003486	31094.2334423767	18443.6646925601	23985.7908395482	20549.4621877025	13975.7680217341	73972.2478855843	16707.9902022128	13795.0297001716	15946.5493492323	15637.8119638104	13783.8541009145	32492.3810272973	30092.4516544293	11916.4620797052	15721.8584246232	17362.4254304825	25535.5801743245	13805.8862230785	14937.4044177808	17153.4187228023	19105.2174325448	16657.2060456522	15342.0216454196	39672.0364406885	17785.1796753555	15347.1594182769	13863.2874020014	15755.7977573674	14058.9460785709	19913.3535590378	14913.5882158966	16779.8786346004	19103.8822593577	14308.0684778596	30660.2407685001	32566.0600884881	16325.9823096917	14212.9791017346	17543.6303172857	15200.9038588047	18171.5833510287	20570.7719805676	19132.4035403614	18206.0551156241	14557.5435580972	13911.5026150173	31142.03563359	20693.9512862295	13315.8352762649	15686.4368673871	21867.2332283661	36070.0920582993	13171.6073344739	29219.87339297	6854.089098	7827.356347	9199.426474	6845.8463	40396.2724412637	46594.6215747646	60227.7506191705	57530.4929840583	38683.4944776833	35045.3387503689	46096.8848422808
FA(19:1)	308578.906902781	4161.641817	2852.148902	3365.997248	4585.679698	2449593.15313689	2398887.08449438	998729.815027585	1005031.38207695	2207798.20133292	2155389.79643725	315187.361157038	472518.829447294	469083.18659653	179247.944161861	158668.703807652	155296.833579347	132598.016099848	117406.409985552	263401.717794401	126475.970867292	144595.273644386	122139.16365937	274657.72720767	474118.864719949	126430.896559227	170307.49919001	118891.105510597	121766.666018699	145943.623245768	122156.076517148	162645.033229423	119389.432257326	155761.112515551	289917.851562948	494653.850035017	483554.019140818	128707.320952876	123177.360954559	136073.518606992	232812.257776433	168080.947259468	1519187.28502253	106913.682021597	330998.481522089	152936.288508789	289734.827150854	491228.085585746	142136.650271117	158301.34035711	142375.616618672	166324.078293315	139997.858365674	144400.186834449	151990.891584298	132732.451922945	132116.865803743	298579.351269556	483947.596033472	493302.239994548	132389.670205527	105243.320160617	163223.311723371	117701.684659271	116487.947405502	230235.85120998	195787.599849148	292132.016468643	325995.154956648	309208.6862652	495812.224678196	160132.168218734	108741.456679906	148727.001277499	110208.621836223	486120.832349538	301404.461107019	504452.709891483	7392.58134	5058.165961	4232.077822	3961.719562	2510760.15052425	2548332.25591641	1045186.37173602	1076274.02236373	2418538.64028221	2458771.21764377	531351.93084649
retinoate	119922.186394719	12632.4911	13385.35011	20421.28573	20569.32858	51073.8030513246	49185.9730896508	46071.7710333018	46204.7918085202	72200.7542867599	71112.1207064838	51767.0754750747	149566.339043785	152638.608306005	40297.072586281	251355.881765592	34611.4013937224	33396.4914034675	35439.8033267831	64471.1448072863	39470.264403653	43334.0196158156	40986.9970518306	55011.7298078029	161646.305083931	40102.7526373618	42766.210561204	46060.1807130283	42617.5620057812	149880.837959813	43032.911524257	116438.453284816	40992.5565113814	65399.3548792794	61560.4345468774	173860.816611142	175962.989609976	41892.5351132213	38643.6763205703	48752.4821026132	62039.809990987	60046.9750149225	72590.3129721056	73558.5207498008	67199.1422087823	48875.6995601479	71953.0798669374	175464.523998632	51874.2857653999	47490.8580517164	43098.301395346	79469.496572847	49450.9055443375	56295.5608221818	70419.9681904327	45341.3932786955	41595.473329492	72747.4230849991	177096.828277136	182788.61902664	282215.926171904	49695.4654203066	62376.4885014666	44501.4960553638	42529.6684896668	77935.7744796825	64336.2364398435	68768.1532163442	69628.0554545043	73730.508404565	185987.845931208	45791.6220021403	47878.7668043156	54301.7766958729	71428.639660064	186661.764438815	71647.8634432257	189958.532168496	32607.65283	36266.36516	25296.7298	25633.30599	62649.6778545208	62881.5025016556	62595.5063376209	61611.5946363192	87012.7852889316	88194.83296673	188106.126012094
FA(20:5(5Z,8Z,11Z,14Z,17Z)))	1564050.46045183	3516.824547	4355.785726	4478.810598	4649.444249	6889963.20749897	6716292.55314075	4233901.88078267	4214306.69187908	13407727.0128406	13384175.0114602	1481272.20957568	2124854.14617602	2171063.68273788	301844.585618565	273926.266717199	371326.572618968	332752.89996258	290576.853000266	622682.932895258	426902.255748412	433051.650710873	332948.382229957	1453676.23220366	2093999.73273855	278791.818465627	281778.775068171	252990.669897574	261198.984049075	280246.957931233	321803.836311588	329986.522983721	279463.113787253	309486.457995578	1479999.32634036	2165699.67130494	2173839.79302811	309313.065491903	349360.889186058	236097.734635316	530052.664536769	348493.2587186	389727.143775775	288348.052050243	326494.887569382	376373.746146781	1488218.81051875	2128175.28469698	274306.876671816	275459.960254091	302932.455055274	378191.087730191	273838.906102879	470972.330878245	236687.73677015	302972.048011039	263317.137431615	1474248.55193416	2061351.26464602	2128346.61490486	315272.343525258	312276.348393253	393152.172049659	379061.227956172	238637.870139837	411786.840737478	450886.046880846	329743.689109591	338893.737588598	1481987.75389429	2087687.44708657	321719.130690635	219737.931382188	401434.261312238	268433.808959478	2053589.80222264	1431428.88131628	2072415.05290392	11274.52111	6853.766013	4806.917754	3902.331734	6806363.19077	6787826.50265214	4386675.92802491	4390376.98433319	13328555.2860762	13469065.491487	2158006.70811751
FA(20:4)	32038250.0682493	758035.879	496448.4965	463041.4461	427770.0945	24554679.7405967	23485055.4335253	18192576.1996355	18147390.9083726	19243229.0024872	19152564.3406327	40749450.5799037	37888606.873389	37928818.1615277	38378590.6452849	38772831.4285837	38749148.1699029	37439840.8846314	37468768.9658511	42423523.7469935	39742108.3819273	37713010.3431222	38726972.5931506	40485009.8120277	37450420.6416049	35914386.2836112	39519825.2680014	37574453.1622656	36444317.3349877	39326218.6691406	37796389.2861089	39349472.887667	37244556.2189289	38712159.9476632	41024153.4599601	38165451.3309451	38396312.6021446	37827912.9581462	37095826.9548334	36060170.700657	41442827.2949801	38334420.8488247	38038033.1981829	38027911.27962	38659032.056472	40371545.4809996	41649029.6689573	37920320.8327277	37962828.8846166	38219917.7416167	38274582.274187	35957324.0996661	36279707.5723918	37968460.2230382	35484261.3254694	37314596.7578789	36198036.2498502	40639431.9131745	36918385.0381595	37371219.9484502	37679617.6634459	37421166.8923565	38445940.7814765	36443425.2501	36317478.0058765	37761061.3342917	37596651.4421101	36037520.1994598	36236835.5459747	41417699.0534116	37159103.6131969	38550725.5054881	36977894.9611388	37690451.0184425	37024938.7679697	36786312.3994658	40011146.8308332	37048873.1690282	828470.2864	652062.22	578787.4382	540306.2185	22800787.733997	22792995.8768214	18239092.7206108	18485166.1459264	19322433.1302938	19351888.4232151	38435402.4067024
FA(20:3)	2349199.40793426	nan	nan	8352.748817	11324.41785	10435522.1467065	10175737.9294634	4299239.9886367	4257009.75301435	9965338.81733766	9795314.92567075	2904580.29896411	3254923.74301987	3315288.07830966	2475874.25409312	2853267.9418566	2819488.19655245	3008105.65451555	2414767.19669629	4602074.19987867	2537212.59101783	2287753.91897013	3553206.19915399	3006494.44454093	3379484.00599682	2027958.64793836	2452873.10982493	2673819.2876267	2077312.71117365	2518465.27771525	3034459.79700298	2018298.19284374	1962037.88234232	2383300.53788061	3091277.30373756	3453450.47066704	3497557.38097571	2684995.39135488	2690879.80179789	1749303.44685129	3452149.282097	2401216.30095833	3387350.00471726	2185517.89722787	2439724.99537508	3421700.87513544	3122821.20696213	3425029.88612579	2242004.95411143	2336088.02476627	2977093.1748085	2793546.98951978	2027156.48188516	3394408.31072093	1827970.89672621	2288191.91848889	2830461.13602262	3012680.30860632	3292243.48424041	3348370.81163277	1782073.05878238	2102780.32218557	3791369.98405162	2270782.16555874	1587883.3623191	2716935.02146626	3341467.32317398	2417117.6551511	2604323.94674435	3074131.04351834	3336940.64480883	2351905.37327494	1779273.56045172	2292657.82540232	1842490.04280586	3310893.45527582	2974914.35291034	3310144.64151487	46150.51088	28425.94428	28480.28703	20212.53627	10164696.0805489	10333196.0876978	4595743.37789671	4621906.43647125	10252017.8801377	10285192.2148925	3408788.82163985
FA(20:2)	1686369.2166777	7167.841143	5435.44223	7254.892544	7195.879933	10919569.6227793	10672940.828616	6849561.82419715	6759192.60749897	9991701.78514799	9809579.90398719	1702562.06427255	2588210.94291306	2558471.33695156	862011.91205037	929762.370252964	921921.515368766	775696.505325861	626422.967156903	1766801.39387175	694052.574923454	735959.5711527	824664.088414393	1622105.53535694	2625159.0226889	591095.494973342	911031.441135787	682994.354359019	685142.507580512	834075.721317007	709359.022466476	848236.026772577	675104.019423898	728963.792749219	1657178.73031068	2673001.94152314	2656587.55047239	719748.206679442	651764.490621492	611606.385228353	1269943.2561034	798658.038452486	3536500.00502698	594455.003012788	1099816.58369873	988434.365933697	1610866.47220816	2606738.44610298	711704.399561856	762591.488016535	811872.076830979	805310.664674488	621536.386092413	854657.895239594	652781.121656162	760592.256357546	802040.721179449	1630675.13056367	2579365.43165944	2587031.61528796	672541.416755519	615961.823723728	1167536.82008984	671452.464380865	525155.913885131	973123.800127009	1003756.50123422	1032919.56480093	1212459.68733584	1681721.41541155	2592439.68053312	784756.355001789	616519.329464946	744327.226580961	547517.004564736	2534160.93117333	1607342.53598028	2613812.68820699	16242.32262	9813.962061	7889.917982	6865.693384	11015484.8200745	10935145.7677253	7082949.76890393	7133406.75324758	10503872.74204	10599043.6282063	2780615.4937807
FA(20:1)	2522189.89366866	10427.83062	5621.335885	8707.853316	9537.745798	13045490.3309596	12920912.9772213	9908991.60564952	9896189.76742394	9233744.73145831	9009004.58222476	2846070.83545218	3895034.65173433	3899209.54543409	1919692.34109386	2040111.55056219	2117786.3175371	1803035.322582	1438358.13201482	3595826.85461378	1839700.00224862	1786048.39877434	1581037.74895618	2755175.3293153	3988175.90671657	1592388.25659417	2157686.43320233	1659266.05487097	1596070.26867525	1903991.18095774	1651573.87492911	1987229.43949536	1590017.7262453	1755377.13478639	2958202.33634189	4089260.82129952	4135878.12657375	1600831.35143223	1720093.71192577	1565291.56484409	2793983.91577045	1846010.03835427	3396524.00916773	1897339.15150811	2083266.28009287	2125739.36612814	3039628.70441567	4042690.07691288	1841232.75563864	1958256.04063323	2154508.35880478	2203257.42110249	1798283.49107395	1940149.30380094	1821741.16629493	1792138.4485666	1840466.63153728	2896225.18501142	3927494.99121764	3966370.08603193	1813889.78616449	1622087.43348006	2410775.96494404	1680785.45153584	1487505.59477319	1966552.24921454	2468836.25095343	1721213.00106726	2411355.00582994	2963284.92226206	4027940.406162	2104346.41471714	1530943.30571578	1957040.23708568	1365178.89973312	4034239.11867546	2891649.68004008	4029791.94275429	18899.78598	12068.70595	10130.10039	11709.07629	13461918.1072104	13618974.9404204	10528511.197792	10704150.6172516	10034851.3828768	10168617.8795276	4356622.40350408
FA(20:0)	151875.93020237	6124.163672	6762.731454	7681.547697	6251.845141	995549.035143023	940430.649622412	428273.307331837	422278.701411466	524419.456173645	506501.356765832	101170.004439602	226227.431181057	212958.014631102	61390.6984349037	70963.957948912	61173.1263808838	70972.4300987853	80254.9803146837	218787.912086777	70237.4998272421	40111.8535491585	46048.2420918806	101252.602078095	224766.092338151	74954.4773886615	97244.0647474341	49099.1416359864	58226.8244616362	80850.6502236438	78565.7153546731	107358.330482134	108892.126472321	147398.289252496	96842.2481364973	229056.580626462	238840.247229952	56350.5789323763	52478.4160126892	79169.1961693202	121703.999035645	115169.490709045	168244.399291158	146396.944853009	99304.9506171108	66041.1144386465	109200.676650241	251778.329530972	124472.335372673	92891.2078089384	68161.7295785077	112465.963163276	57677.2079403082	57524.9318946127	111299.122012582	51686.1349896321	66783.3537750881	105296.495583081	236871.60974036	248136.024689551	138805.761965702	72113.4328872306	158885.420985035	72905.2299479435	71762.785685064	63604.7842989625	114609.130327307	91824.744002613	145020.444507514	116792.587212855	249735.711994367	93706.4950039199	85138.5589729069	103617.867714338	108759.960229635	253868.696764742	114032.290409365	265873.981590034	10116.09579	7907.716457	8677.662174	8507.103648	933004.158642289	998881.20391634	437807.941283501	429635.350529658	560145.493351272	566976.537851595	274675.763695691
FA(22:6(4Z,7Z,10Z,16Z,19Z))	12267080.6240387	253102.673	231292.4495	221547.6857	223870.2762	15117514.7611885	14565514.3609145	12359677.5509302	12337838.6781402	18636622.8632474	18609977.7576848	17913542.1918594	14589878.7783252	14648795.7376289	14186598.0873419	15415439.0155056	15917886.9760458	13753085.3907017	12616333.649015	20390691.7046791	14794521.5406949	15030080.8890308	13789864.6292241	17993802.0459072	14599348.3571078	12693389.0079569	15669797.873935	13700159.7602413	13587601.5135577	14250125.9589524	13191807.7493143	14391323.2761382	12418712.5492923	11958588.6242764	18389693.7373514	14832024.7659591	14823066.1040153	13351415.5202183	12299055.9824077	12911988.1974632	16455687.8680923	13442960.5891674	12770309.8975565	11765305.0778691	13891673.9381751	14953302.3051917	18594019.1917622	14701380.3466653	13678871.450756	14770788.4091147	14320458.4158366	14696316.6393464	14061177.3129973	14662838.7272667	12427681.1853881	14552485.0437834	13764134.6249571	18071909.9598743	14311144.566312	14612037.2893475	13720199.8160312	13497735.6119645	14907177.1654951	12559526.3695432	13077329.1942671	15112094.1462049	14136136.3238684	11814410.4459703	15228756.7280561	18630587.9108467	14525320.3109421	14194151.4048459	12932871.8707313	13178611.4387105	11752725.31588	14296567.1717141	17802676.1563905	14614008.5623193	336534.3261	307672.1098	291400.6069	276610.1013	14277875.0551525	14281478.0010885	12516325.2567154	12611819.1161453	18555974.0934424	18603220.2221403	14723413.2292655
FA(22:5)	823777.651058025	10535.92111	8138.301885	8314.011293	8499.047931	2825382.61943887	2851443.18683769	1262223.15333868	1249288.78011731	2663655.10006676	2450355.75592068	1769731.97893848	1237090.74613586	1301625.73027739	1529638.56467088	1975991.67545002	1700668.1783326	1389567.63919352	1055931.62136793	3166303.15044839	1101165.91451514	1232444.00735748	1553819.65536782	1845757.43523816	1304419.87298522	929131.127662966	1589433.66810961	1438206.19400477	1331166.14854492	1492664.93635278	1307247.95413667	1345775.7666972	1128211.8292374	935941.709935619	1847818.73802893	1241871.11396695	1320035.22324844	1288308.01463052	1144144.7279331	1137934.50829374	1733708.71129294	1244516.84756876	970837.307015799	892315.930177567	1278872.78054671	2201098.49776044	1865819.30987989	1237417.42594213	1187866.06733607	1417787.99008774	2080749.15784989	1146983.73565139	1413772.04719315	1538899.75301052	1045071.77371414	1659409.39690646	1754717.08266051	1802076.6228026	1256325.14652369	1294102.89414033	1024401.17409597	1152052.78881313	1930431.58359257	1168378.31314111	1058264.11048587	1382204.99447624	1238310.31220947	1070941.91559322	1511891.28777455	1866176.06847829	1279289.55633158	1400483.04095812	1261272.81624363	966013.977346443	928922.472715137	1278448.8567351	1827994.37380783	1273380.46077296	18854.21203	11222.41835	10511.94929	9852.840034	2594443.3371931	2665875.81339684	1315656.16355257	1342422.37937915	2711469.59757585	2653434.48916206	1327426.04144796
FA(22:4)	6430815.50610413	33858.77192	23132.43794	23991.79288	26152.77912	11491513.3824509	11285619.755499	9919797.5673263	9897702.24579678	7940010.36228134	7901598.93547772	10645074.0870865	8928743.21658163	9020435.24868754	8754819.95101271	10131290.5259373	10135122.6547341	8203130.69351207	6943334.36227206	14240166.3028756	8295943.64818409	8327487.1359263	8190550.55753495	10791973.6165094	9122941.57727111	6596199.03676144	9877925.87711427	8066980.4648847	8130296.96153055	8884678.06898402	7222247.44226465	8960185.27762002	7395512.93547994	6888790.47589491	11214308.8307269	9206141.22581006	9399818.91684105	7506251.43876441	7223477.17668371	7336808.23114049	10917651.5070781	7924377.57383531	6355169.010702	7663711.1120043	7978908.2036038	9959322.29078427	11238428.6054233	9129369.21763654	8074132.37559703	9085121.90784284	9169952.87389594	9007595.41823111	8539652.35888565	8859101.0086855	7266445.24022925	9257139.07469944	8606792.54816062	11004656.305156	9019431.34452471	9076765.07174227	8017742.77121653	7798901.18734714	10465902.53733	7442507.46757234	7151448.77602425	9210340.40440281	9266975.71907416	6619288.9332253	9147082.35505905	11242788.8419626	9113063.21524918	8822576.91802448	7229853.98938207	7632823.49353647	6067974.56586822	9019771.49631752	10976658.408034	8982770.97781453	45292.49024	37558.09375	34776.78911	33012.65144	11260889.3482988	11453044.7156007	10255486.7713963	10460949.8780282	8414766.32524224	8468517.63699256	9539557.91081727
FA(22:3)	123935.500129579	nan	nan	nan	nan	623884.886953267	609170.858436906	364953.602777556	363064.427189868	592418.079899067	584897.583600845	166478.404621995	174746.247966826	171244.201190332	108917.265394465	111192.930121643	125457.263327365	100853.771288378	72722.3056124714	240207.706374515	76202.4238592048	90372.4129575327	119916.492077346	142188.389306351	169533.466695675	74986.5874563597	108661.180448146	96334.6023391822	85708.3413098312	104200.69985813	102486.64404452	85749.7736489113	75063.2428681671	78258.8725055826	150057.448219765	176149.915982474	165086.793745312	95911.4717467547	93575.2058709019	74542.6296729866	138453.473253896	96679.4938176617	583255.447320475	89874.8130786081	137012.408246774	140757.931293494	160124.213740045	172261.727704303	84277.6167630222	96862.7848244414	114164.124629725	108630.215040458	83122.7400921281	125867.107660373	70851.8874558602	103649.622360218	100131.480386389	154397.563066948	159593.752171762	161020.999970379	62772.2848663439	75193.1335507152	133297.083811386	83464.4662969791	64655.8375042188	124164.865548792	139130.152549762	141754.514169331	158187.338166755	153596.44612352	166824.356256216	94286.9094618782	65041.7732657645	80437.2214133992	62349.8765884712	165679.479044002	157688.454530775	168810.255435111	nan	nan	nan	nan	599619.186110866	609687.574588607	367245.28586448	370398.376254554	620962.874728189	610314.72199865	165954.535715154
FA(22:0)	23259.6882965765	nan	2872.509231	3893.754527	3368.596663	73439.2822976186	78120.5295563023	42113.1689024142	42038.1237062793	44488.4709676569	45257.9826766152	23178.8142515129	24153.3432414739	25212.2178222165	12873.6196113327	12025.8230905606	8496.34392301061	11718.0103170464	14745.305442108	21606.6539053842	9323.44367906884	9490.85530765246	10436.6797357998	19462.4941256434	24624.3275180339	13893.1919206224	17985.0263516281	9198.32804623308	12285.1217489499	13341.1368329259	11900.5822538396	14399.8243161672	15805.5920470648	10224.2732836076	20508.8943313737	27993.7249855332	28544.9747156716	11018.4935593623	9042.18525733397	22619.6922215067	18711.4466927336	17804.623411998	31252.5157229445	18812.8312675476	16055.0137757739	12598.0025792537	21835.4565959217	28866.1705576341	19050.7051814785	18550.0367551046	14008.1282827862	21110.2994552666	14589.5807755391	10681.8389192425	18622.4449934563	10793.3380541826	13698.5718332972	25830.9844218338	29597.5571564843	29539.9295061395	18512.0139349459	13904.6249241531	22850.5965786763	11972.8858792305	15723.7586599655	11008.2020307607	23263.2570161831	16377.9063937594	25912.157672491	27559.4754949618	30181.0847386216	14072.1725612849	14603.642167228	16021.3726031552	18056.5069459609	29741.0345857318	26602.5729043354	31718.5428023	3575.943072	2818.459527	4181.190502	2954.466798	83841.3749443518	87426.1687687617	48300.2773173627	46048.1608905029	50996.3281321932	50667.5172846587	29385.5013210332
AMP	54605371.4365128	nan	nan	nan	nan	7432362.1731393	7515900.98170094	3972651.3832343	4013892.29362015	5215900.53853115	5199260.88181896	55276377.6608256	55821002.8388903	55842309.1240234	58483550.0347794	55764314.9378064	58171576.234469	57062124.5015797	61414850.7153454	55711985.9547617	58351421.1927523	49355250.7927487	62361061.8320206	55782523.6949055	55972040.0793371	60608950.2089935	58557765.2731918	62406960.3862072	59270752.0476869	61497917.6368859	59170093.4280298	61264418.8395077	57509847.6654801	62596874.6297202	55444971.5021947	56078943.7389476	56488074.8172098	61453620.0179859	61228135.8724489	59921973.7419931	56977726.9418141	60823396.2371275	63804098.6448766	61245979.2465407	57641660.6346928	58664776.2176861	56139845.9465435	57003040.7794361	60370309.6173522	60556238.2648765	57890238.3016693	59659903.6377823	60427915.0762945	57901890.4213495	60138975.8780384	59122848.8459364	55038239.553153	56815366.5286727	56592695.1393674	56603505.2428572	59643276.9164888	59334775.4149569	56714891.8101966	59861428.1298078	56533783.8181801	57717735.7805887	59530212.6739171	65593180.6809839	54945013.7192242	56142488.0169131	56165170.8050633	61163897.7029711	62323798.3973616	61377204.9164784	61830682.4714864	56650181.6757347	55715523.6694103	56164456.3679779	nan	nan	nan	nan	7990751.01239556	8063757.56502004	4303866.2374657	4304438.63940707	5617833.43361166	5518225.99918912	57045658.643958
FA(24:1)	31605.5217590676	2098.037314	1610.757073	1503.973734	1601.313096	971233.60384968	937483.707347607	576448.454142205	560077.86714887	266277.303491732	265812.916442741	34418.7740240317	38480.9204732862	39280.8864509143	25114.1389875826	28883.7537610046	22903.4163235822	29934.3780503746	22109.5928166364	37276.1172966256	25448.6375820695	17390.1382976245	11993.0988414665	38072.0506540809	36316.7670552682	21376.9682847839	29012.2299190719	15946.1872525476	17345.119428832	22690.0027458843	21952.1965702157	23724.4571036864	26709.3920095789	21253.855918019	39307.5028185087	33969.8093898479	39816.3814432221	14588.25837732	22896.6934219737	20859.5820081	25829.7763467715	26208.6623984984	63921.9012921164	27415.7737883077	31815.7098436355	22576.7258680607	39552.6384365953	40550.687361311	28793.5191140856	28016.4972575776	31683.8970734762	34605.7517449817	24487.6013113399	22364.2924779493	27967.8586326662	16938.0708683516	29000.9592251305	42072.5671635619	44298.6465770967	41183.2118903829	33351.6546123536	24551.8098016627	24195.2564506468	26179.3118375561	27167.8966198808	20361.8683681263	21817.3336461242	25995.512969329	41663.5295314568	45630.1839188692	45449.2995407713	33257.3480384441	25066.3919165372	22836.0988530983	24297.6493357935	45476.9170393998	43177.7305829868	43517.7293938937	3644.723693	1866.40819	1883.756561	1551.421548	1054261.31679134	1081183.14366648	649245.567651427	630497.231079511	311226.536493227	304106.792195638	44981.4950383751
FA(24:0)	3970.78264700481	2683.659801	2460.52159	2720.264501	1997.837352	43729.9721895576	38068.2048443332	25331.7124902403	24233.791112418	31848.2588187373	32949.8488366172	4122.00253049639	4170.23989471384	4178.45457835224	2642.82816082633	2260.88726004189	1662.52686783567	1944.17996683336	2596.32999198116	4428.99636092726	2164.64645243568	1549.88605291949	1929.04002347323	4266.35808735076	3722.90364360158	1844.16163439946	2542.59759509137	1588.47235894024	1855.99515037237	1979.69978960331	2300.15905776713	2312.49808297697	1568.18977163435	1956.4423335553	2726.15547407186	3665.70381922797	3241.88561617551	1462.86695794185	1530.59042850506	7643.35356696039	3110.44595484069	3022.21569384928	4587.68982512786	3010.07602762866	2559.78487579776	1680.57877025813	4121.88213835268	4139.23237465992	3673.81530988806	2887.97573288447	2095.91452992926	3880.98070857086	2710.77456319801	1709.47755821898	3593.21968036455	1658.27019822846	2523.68504455104	3655.04298809559	4469.83350975535	4727.64761180219	2425.47564604612	1813.64712341801	3413.63181548322	2132.78512899433	3478.81590937884	1955.999963303	4277.64612452733	2552.4492845934	4375.9155499605	4671.44185454584	4877.48198853671	2966.04687192029	1935.60768154479	2611.84055149949	3082.27483331946	5204.01838563497	4744.72739407002	5286.50404197806	2696.830767	2454.530938	2878.683802	2203.622827	46987.3392267731	47621.7316169219	27994.3535419348	28042.4044486302	37604.1419527528	37263.1478170477	6393.60044285147
sphingosine-1P (C18)	298849.183209817	30150.9514	17655.72099	13164.5037	9770.854967	176217.347825949	101123.440065959	93562.6012119301	86464.9812870014	41455.7831073991	39330.1160082434	184497.219669758	295962.146735979	300094.606769272	584627.346704512	574952.021363783	515090.720762134	703407.018558031	534051.950363385	307395.623019243	650731.745317622	361959.682013755	426913.282288584	201593.10150182	312102.771229617	680078.920879978	467297.254987984	536307.146030333	433370.789783293	527811.238072448	409690.607520205	530871.632780223	606689.003495899	434552.067080929	189630.981785588	284885.817248968	278919.485353496	362792.872868684	566407.503661285	621791.953001978	360323.323077825	652452.333278702	605350.129984427	185563.249393538	488654.751809012	495263.016019063	202283.262176809	289160.972791087	608991.365816526	654893.27142275	401764.393654438	686420.973016552	455354.603932272	377272.612031609	465501.239114465	509904.251702295	496975.675459802	202036.358417816	285833.93788928	291264.465320912	700024.782068466	523422.941338845	249240.007746697	619521.427305908	465333.283569516	372567.22946677	299687.90149819	602797.938608101	654389.372454238	206263.568532608	288975.218456948	655920.96260687	647951.624029448	394414.824791002	403071.800476151	289530.345705055	198043.16722877	285997.499987834	113026.7254	58289.3289	34194.32131	29080.57965	67221.1311081378	64584.9643413335	68746.3836890462	73546.0978400084	38185.4718116494	35477.5102079167	281168.149071019
hyodeoxycholate	36030.9500261532	nan	nan	nan	nan	17196.9015959316	14367.5179190494	34942.1910377353	33285.7492310638	687811.697377117	680224.427528307	23570.1895971365	38063.7971298384	34417.6098870491	nan	nan	11345.1176004969	nan	nan	nan	nan	nan	nan	29065.7706992268	41369.9183850362	nan	nan	24811.5871988678	nan	11037.5581620378	nan	nan	11736.3494025671	23079.0137280595	24383.409823634	41352.8957667684	39982.0281725666	nan	4169.36484436052	6975.52874608359	3638.33491743311	nan	nan	16056.6432241081	nan	4579.0193088757	19079.6227374895	41798.0615321615	55224.6786131243	nan	1412.11283275913	4214.03465233076	nan	nan	2704.31852640947	nan	1515.70473106388	18536.1397401917	32678.1716529539	37953.3207192503	4557.42345818269	6506.88186310893	nan	3693.61142339606	nan	7671.88591734444	nan	8396.05091165749	10028.8529273711	24135.2526182097	36021.8527365246	48470.273560188	3237.2832995505	4192.87139453972	14094.7006134577	38538.3248371256	24428.0456297634	38645.9843274162	nan	nan	nan	nan	16449.0326373647	15263.409875252	34215.8399347942	34513.3648150955	701800.578124956	714400.40257476	36866.3602331882
alpha-muricholate	110021.837710753	nan	nan	nan	nan	322874.97501204	313696.735861489	598045.061933798	595429.502905981	1629792.90068864	1642416.7243131	51992.0233794969	112841.023011694	111718.5296288	2501.46924005165	2701.48610505269	2545.94150795172	21359.1299011515	1837.45907038536	5652.09321322089	18557.4110580852	3713.3659609208	3920.48888562695	53394.7152133047	110295.068847226	14217.5397931006	3265.0514948808	18227.2610980292	2158.49181247288	6659.6610064773	2173.43929551305	16515.9777700897	2380.06547004775	112056.983540161	51194.9387033518	111548.251216403	111715.879831231	2736.36627672115	1963.67511175688	1136.4474869711	2340.15954752655	1593.00891052482	3319.62264677595	20831.0821689328	1643.29698139125	2352.30332289032	53991.6194706428	116034.292772816	125122.425547807	2119.87985376013	13520.7340670123	7844.27514813505	3720.43291801141	4547.07963095646	6134.88376185175	11997.0068656359	1977.31875445409	55440.6991501246	109662.497026568	112394.126254505	74418.7498893687	2242.15306165572	7663.96417056988	2297.985951583	2098.3473406662	143852.590656965	15194.1592498328	1743.87765548768	2584.5698135864	56030.3986691204	112897.828570826	256520.575720873	8218.11045769174	8298.89161557619	282528.914321824	114282.668280042	53687.2399372396	116154.824169251	nan	nan	nan	nan	303908.389421552	304598.836157781	591139.172099796	596387.583629645	1635862.00222154	1629802.49121274	112552.567522312
beta-muricholate	109649.928741895	nan	nan	nan	nan	321787.363974349	312500.204215674	596846.121978848	593922.081597888	1626080.75956265	1638429.99247768	51240.8421694217	112102.600073461	110913.67619849	2277.80294137028	2210.70836118843	2360.79166103236	21069.0786008775	1442.76437386126	5462.06440564004	18250.3983718385	3497.40599231118	3399.00031988723	53133.6428823225	109189.842765363	13436.8689105105	3265.0514948808	18227.2610980292	1903.70199922532	6402.98751484182	1899.30212189414	16456.389822993	2126.60925538791	111989.379542673	50528.1858467882	110933.445784708	110961.820693189	2209.10244105276	1491.88002523684	941.585889993726	1838.10108318071	1369.72614428048	3259.36993279535	20690.2641974666	1303.85993017367	1821.419626465	53393.0616548139	115443.014136184	124479.864157592	1390.13683025728	13223.136676313	7593.59346301275	3188.0548787204	4195.5003776157	5569.05387496932	11757.9220503444	1770.92280828136	55207.9439489275	109170.630109824	108076.794523159	73805.5197988783	2101.36529542797	7284.4081858722	2068.80314626828	1789.54467625474	143610.057865874	14711.935827703	1562.00195191416	2166.95635344637	55199.328759291	112296.112445625	256074.314248821	7770.08908678326	7978.17331647694	281962.736867385	113583.779437853	53269.9279491618	115445.057885509	nan	nan	nan	nan	302830.216487167	303986.487510877	589550.748554762	594927.253956387	1634095.00990458	1628322.09301978	111854.908115565
omega-muricholate	109727.614667504	nan	nan	nan	nan	321926.145065218	312570.577316249	597637.789446347	594888.885572699	1626483.13642115	1639619.78581907	51526.2198081606	112154.52512308	110762.315510373	2371.54246368612	2210.70836118843	2427.00499441675	21069.0786008775	1442.76437386126	5462.06440564004	18250.3983718385	3497.40599231118	3567.73949854424	53133.6428823225	109276.016423704	13496.6996901029	3265.0514948808	18227.2610980292	1983.12665601246	6476.73458951622	1899.30212189414	16515.9777700897	2259.27711963773	111989.379542673	50612.8534865892	111114.815733615	111188.693264664	2209.10244105276	1574.86657193003	941.585889993726	2030.8012405999	1445.81359077119	3259.36993279535	20690.2641974666	1363.36087076443	1892.24884515117	53393.0616548139	115624.426725276	124554.221999216	1516.60166811945	13223.136676313	7593.59346301275	3315.71132613505	4328.46145632402	5626.64046934828	11757.9220503444	1770.92280828136	55369.4298524244	109241.966659259	111261.565972514	74088.1698223066	2160.58983756061	7433.49733381783	2182.41920138565	1789.54467625474	143762.042277988	14972.4679060473	1687.86459183608	2239.81353013313	55199.328759291	112408.17768715	256074.314248821	7770.08908678326	7978.17331647694	282149.908570695	113695.506213712	53348.8451634176	115657.73789429	nan	nan	nan	nan	303143.149493844	304292.435931345	590693.74418888	595922.752674669	1634956.22900073	1629152.29449409	111936.638023372
cholate	105811.411800121	nan	nan	nan	nan	318245.452477039	309616.719485739	598664.787932375	590152.326542826	1621729.01332353	1638006.33212386	49801.1394682911	109882.88602945	108079.002952331	2371.54246368612	2144.11946030125	2280.40256637077	21069.0786008775	1442.76437386126	5403.02669849392	18250.3983718385	3497.40599231118	3399.00031988723	51328.6685618046	105772.352173999	13436.8689105105	3265.0514948808	18227.2610980292	1903.70199922532	6402.98751484182	1899.30212189414	16456.389822993	2126.60925538791	111989.379542673	47289.9561694834	108756.425286172	107300.794730225	2209.10244105276	1491.88002523684	941.585889993726	1838.10108318071	1369.72614428048	3259.36993279535	20608.9471842842	1303.85993017367	1821.419626465	50808.5278598311	113081.483296955	124403.169806846	1390.13683025728	13165.0101814249	7593.59346301275	3101.08605136912	4195.5003776157	5569.05387496932	11757.9220503444	1770.92280828136	52371.7682943138	107235.386377695	108158.182511584	73938.8710450188	1959.30891280292	7124.44029318974	2125.61117382696	1789.54467625474	143544.265950775	14549.9647118575	1562.00195191416	2077.50463200379	51690.8560879307	108787.388253128	255955.641564149	7639.54282190205	7910.44296106156	281887.094110738	111374.87074052	51537.2171203422	111730.354612409	nan	nan	nan	nan	298379.569617474	301741.130576043	588491.656220619	592496.659044772	1630191.10356596	1625319.13268065	110151.460086938
tauro-beta-muricholate	67250.6080603183	nan	nan	nan	nan	527932.532610072	527807.310748182	152421.654025183	153585.592629672	41054.6494776969	37492.27591133	33284.6637200064	64075.0923684146	60198.6898870006	47278.3578962823	39601.8219456759	23718.9050396658	22585.5626599617	121047.710993661	92343.2722841719	11535.3191590677	61048.6274978903	6922.1814824895	30266.5033637795	66522.5333645904	127867.740825976	60964.8122001676	54219.9180912839	30180.0579051522	23327.2083795121	18904.8232014721	291108.93521671	108427.570221006	36451.4686812284	30950.6289049436	67068.2793492128	59411.2188757686	20919.116465328	22712.9778816038	16397.3566344816	276957.462971543	89645.0921178825	43013.7823008964	20345.5247378522	23864.8388042935	264754.329558689	31798.828687946	65762.5199010035	89524.2019464779	128542.449069457	32282.5293649277	104940.562077708	60947.7244663898	33731.8314870399	65866.843928379	231737.707387132	128301.362989315	34167.3055922658	66202.5611774112	62657.9625662419	65066.8550313629	44170.6169130324	33772.8315778683	53713.2932531907	106536.02338262	52004.3663629625	18543.1603702652	40889.3776939072	91733.4344260088	33435.7050318839	62435.0443385937	35614.3502955038	21372.9072659979	48223.0312593262	210902.334126763	53039.3103190799	31396.4689252729	66381.573200682	nan	nan	nan	nan	583305.861208943	536534.225874311	181087.711017501	179189.689942869	42364.5393474174	42453.1568318238	69691.153463059
tauro-alpha-muricholate + tauro-beta-muricholiate	103531.059639886	nan	nan	nan	nan	592472.201659157	602761.023116602	301670.682452696	304446.026379355	58463.3462431018	59019.8334184376	93951.8209847226	96243.3392550751	98442.4019840105	52489.5534924942	41263.2113854612	29396.8573973447	31048.9202152404	129836.22790897	114648.663541925	17021.0767216127	91817.1236713377	11763.281032178	91900.1904802434	105618.085906142	190591.059989312	63604.5921332364	115739.832741119	43222.2361824876	35789.8628803192	35553.0372028017	278289.326032504	109416.538655038	80831.8701355969	95377.2836034159	101642.165582443	98812.8531790126	38995.5022862602	36746.3388709109	22631.4672209797	300882.873942578	105970.524090394	62829.1001097196	43557.3407381958	28601.9362484972	266114.629752412	92690.7461973336	97019.6136717379	135243.52769416	150671.762987069	41036.9248142936	140096.397639894	66944.0771933693	42298.140035298	69375.9144552176	236366.719535789	129708.5334811	98067.2878467618	96194.733555388	100774.422354132	78815.3726826019	59518.8286585447	40957.6427259639	65598.9048921827	117386.820367217	79853.5038689059	30270.9264461815	66875.9448005675	84777.5443826668	95259.3864162963	101347.118793984	70427.1129887162	26272.4604104261	76081.8517493332	326397.129808487	97851.0069182914	96904.3757981047	104905.030751021	nan	nan	nan	nan	664629.49258061	649693.638544319	325377.602734574	335130.113316497	61219.8588204228	61081.2319963973	102829.113703069
tauro-alpha-muricholate	33353.987415072	nan	nan	nan	nan	101714.166644912	103347.277434444	108792.900620102	101877.63641615	59939.28327698	61313.3342760751	23516.3924552087	31295.599829273	32814.810258062	9262.37752375887	9954.22375520433	10145.8515509422	13760.0148630755	21059.1197128506	29550.0262201024	7291.3018452737	33445.5816970895	5136.86817366378	29963.6098969575	35747.9373917299	59573.5295547695	12247.8071190319	53591.7264379531	12182.9056801202	16985.0552680351	18723.6458209678	39877.2532739361	19965.9767076883	38647.061539686	33655.6609812659	35296.2034120812	34127.095020337	18153.9994406497	15420.1800601995	6479.97610434427	49182.9997289129	15506.6071077132	28253.1000229855	17598.5162514933	7531.43406937869	45632.9955839728	31447.5166294619	36781.1022025517	57203.3319043123	21975.8615571972	15039.3731088364	53261.1058841218	15098.330443394	17527.8562402745	13030.3894756089	36194.3042196646	19629.1656690319	31764.2641420783	35977.9338914618	35235.1100173524	16743.2815642282	13498.6688731022	10201.3545376755	15427.8584147612	20711.9212369934	31623.5619803651	10522.4608901444	20707.9602737071	25047.5509588482	32026.2482764599	32270.6900531935	34668.3540737321	6792.96397699594	27772.8167426993	122274.355461204	36898.4035951542	32523.2450971215	35435.1380426087	nan	nan	nan	nan	98737.8750549112	102454.417709653	102017.10508476	110032.333299225	59738.5025961461	60531.756422056	29253.6544467828
taurocholate	349743.051461916	nan	nan	nan	nan	2424595.35961931	2244896.79715456	1028413.85684264	1012084.02086742	154949.677642714	159028.454288751	354718.537044398	375834.245084747	356302.160418371	138568.866855275	56012.427123997	107533.102646346	93064.9877784132	320962.764827055	231738.280116679	57002.0435699735	332412.315196879	33478.4485479553	378707.9446297	357137.607778108	827459.357691311	196048.77171198	591192.470556959	82410.3245950368	127192.74228978	100892.329751982	784875.077906546	231042.992237308	267934.004639271	398166.242939666	389340.611542121	381077.804866336	119871.229300472	120434.835785245	40485.3598928068	1129519.1330509	219703.565536666	269916.850983202	178691.054618324	67242.7188683377	623791.548400112	395533.794949176	397123.653892362	701583.284699594	337965.521076152	69364.0727007437	619902.925030528	200559.851611452	153309.768419495	198883.691537211	887395.849158337	277131.013375719	407151.226410516	382698.838962536	384649.107510577	293573.725793048	143127.85035853	85106.2915361819	154313.435669481	323224.199011272	361736.047149855	103844.107340833	232774.219137911	457728.540956387	415533.737274977	401409.545639411	296810.66635895	55740.033071385	384842.522017549	1231518.56189886	377406.884486518	411567.973146441	396990.925939283	nan	nan	nan	nan	2243556.6819388	2251046.27945541	1075533.74488073	1058392.40455194	164984.357944487	157773.253109929	372741.126757983
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	formula	mz	neutral_mass	refmet_name	rt
lactate	C3 H6 O3	89.024824	90.0321	Lactic acid	1.07
3-hydroxybutyrate	C4 H8 O3	103.040224	104.0475	3-Hydroxybutyric acid	2.15
2-hydroxybutyrate	C4 H8 O3	103.040724	104.048	2-Hydroxybutyric acid	1.85
serine	C3 H7 N O3	104.035524	105.0428	Serine	0.6
maleate	C4 H4 O4	115.004424	116.0117	Maleic acid	0.75
succinate	C4 H6 O4	117.018124	118.0254	Succinic acid	1.56
threonine	C4 H9 N O3	118.050924	119.0582	Threonine	0.64
taurine	C2 H7 N O3 S	124.008024	125.0153	Taurine	0.62
ketoleucine	C6 H10 O3	129.055224	130.0625	Ketoleucine	4.49
aspartate	C4 H7 N O4	132.030424	133.0377	Aspartic acid	0.61
malate	C4 H6 O5	133.014624	134.0219	Malic acid	0.85
glutamine	C5 H10 N2 O3	145.062124	146.0694	Glutamine	0.61
N-methylaspartate	C5 H9 N O4	146.046024	147.0533	N-Methyl-D-aspartic acid	1.03
glutamate	C5 H9 N O4	146.046224	147.0535	Glutamic acid	0.64
histidine	C6 H9 N3 O2	154.062024	155.0693	Histidine	0.6
FA(8:0-OH)	C8 H16 O3	159.102524	160.1098	Hydroxyoctanoic acid	7.67
S-allylcysteine	C6 H11 N O2 S	160.043824	161.0511	S-Allylcysteine	2.39
phenylalanine	C9 H11 N O2	164.069124	165.0764	Phenylalanine	2.9
urate	C5 H4 N4 O3	167.021624	168.0289	Uric acid	1.25
N-acetylleucine	C8 H15 N O3	172.097624	173.1049	N-Acetylleucine	5.41
cis-aconitate	C6 H6 O6	173.008624	174.0159	cis-Aconitic acid	1.23
FA(8:0-COOH)	C8 H14 O4	173.081624	174.0889	Suberic acid	5.71
hippurate	C9 H9 N O3	178.050624	179.0579	Hippuric acid	4.33
tyrosine	C9 H11 N O3	180.063224	181.0705	Tyrosine	1.65
hydroxyphenyllactic acid	C9 H10 O4	181.049724	182.057	Hydroxyphenyllactic acid	3.76
indoleacrylate	C11 H9 N O2	186.055924	187.0632	Indoleacrylic acid	3.59
FA(9:0-COOH)	C9 H16 O4	187.097424	188.1047	Azelaic acid	6.68
FA(10:0-OH)	C10 H20 O3	187.132924	188.1402	Hydroxydecanoic acid	9.11
kynurenate	C10 H7 N O3	188.035624	189.0429	Kynurenic acid	4.35
hydroxyindole acetate	C10 H9 N O3	190.050324	191.0576	5-Hydroxyindoleacetic acid	4.97
citrate	C6 H8 O7	191.019724	192.027	Citric acid	1.07
FA(12:0)	C12 H24 O2	199.168124	200.1754	Lauric acid	10.74
FA(10:0-COOH)	C10 H18 O4	201.112924	202.1202	Sebacic acid	7.47
tryptophan	C11 H12 N2 O2	203.082624	204.0899	Tryptophan	3.59
N-acetylphenylalanine	C11 H13 N O3	206.081824	207.0891	N-Acetylphenylalanine	5.6
FA(11:0-COOH)	C11 H20 O4	215.128724	216.136	Undecanedioic acid	8.15
FA(12:0-OH)	C12 H24 O3	215.164724	216.172	Hydroxydodecanoic acid	10.08
FA(14:2)	C14 H24 O2	223.169024	224.1763	Tetradecadienoic acid	10.67
FA(14:1)	C14 H26 O2	225.182924	226.1902	Myristoleic acid	10.96
FA(14:0)	C14 H28 O2	227.199224	228.2065	Myristic acid	11.25
FA(15:0)	C15 H30 O2	241.216524	242.2238	Pentadecylic acid	11.44
FA(14:0-OH)	C14 H28 O3	243.195924	244.2032	Hydroxytetradecanoic acid	10.55
FA(16:1)	C16 H30 O2	253.216824	254.2241	Palmitoleic acid	11.37
FA(16:0)	C16 H32 O2	255.233824	256.2411	Palmitic acid	11.64
gamma-glutamylisoleucine	C11 H20 N2 O5	259.129424	260.1367	gamma-Glutamylisoleucine	3.99
gamma-glutamylleucine	C11 H20 N2 O5	259.129624	260.1369	gamma-Glutamylleucine	4.15
FA(17:0)	C17 H34 O2	269.249024	270.2563	Margaric acid	11.82
FA(16:0-OH)	C16 H32 O3	271.224624	272.2319	Hydroxyhexadecanoic acid	11.23
FA(18:4)	C18 H28 O2	275.198824	276.2061	Octadecatetraenoic acid	11.09
FA(18:3)	C18 H30 O2	277.214824	278.2221	Octadecatrienoic acid	11.3
FA(18:2)	C18 H32 O2	279.232624	280.2399	Octadecadienoic acid	11.52
FA(18:1)	C18 H34 O2	281.249724	282.257	Oleic acid	11.73
xanthosine	C10 H12 N4 O6	283.068124	284.0754	Xanthosine	2.79
FA(18:0)	C18 H36 O2	283.265424	284.2727	Stearic acid	12.02
FA(16:0-COOH)	C16 H30 O4	285.206824	286.2141	Heptadecanedioic acid	10.34
FA(19:1)	C19 H36 O2	295.264424	296.2717	Nonadecenoic acid	11.91
retinoate	C20 H28 O2	299.200124	300.2074	Retinoic acid	11.11
FA(20:5(5Z,8Z,11Z,14Z,17Z)))	C20 H30 O2	301.215424	302.2227	EPA	11.28
FA(20:4)	C20 H32 O2	303.233624	304.2409	Eicosatetraenoic acid	11.48
FA(20:3)	C20 H34 O2	305.248924	306.2562	Eicosatrienoic acid	11.69
FA(20:2)	C20 H36 O2	307.264924	308.2722	Eicosadienoic acid	11.85
FA(20:1)	C20 H38 O2	309.280924	310.2882	Eicosenoic acid	12.1
FA(20:0)	C20 H40 O2	311.295624	312.3029	Arachidic acid	12.46
FA(22:6(4Z,7Z,10Z,16Z,19Z))	C22 H32 O2	327.232824	328.2401	DHA	11.46
FA(22:5)	C22 H34 O2	329.249524	330.2568	Docosapentaenoic acid	11.65
FA(22:4)	C22 H36 O2	331.265524	332.2728	Docosatetraenoic acid	11.77
FA(22:3)	C22 H38 O2	333.279824	334.2871	Docosatrienoic acid	11.98
FA(22:0)	C22 H44 O2	339.326824	340.3341	Behenic acid	13
AMP	C10 H14 N5 O7 P	346.056124	347.0634	AMP	1.15
FA(24:1)	C24 H46 O2	365.342624	366.3499	Tetracosenoic acid	13.08
FA(24:0)	C24 H48 O2	367.358024	368.3653	Lignoceric acid	13.72
sphingosine-1P (C18)	C18 H38 N O5 P	378.241124	379.2484	Sphingosine 1-phosphate	10.67
hyodeoxycholate	C24 H40 O4	391.283524	392.2908	Hyodeoxycholic acid	9.98
alpha-muricholate	C24 H40 O5	407.279724	408.287	alpha-Muricholic acid	10.09
beta-muricholate	C24 H40 O5	407.279724	408.287	beta-Muricholic acid	10.09
omega-muricholate	C24 H40 O5	407.279724	408.287	omega-Muricholic acid	10.09
cholate	C24 H40 O5	407.279724	408.287	Cholic acid	10.09
tauro-beta-muricholate	C26 H45 N O7 S	514.282924	515.2902	Tauro-beta-muricholic acid	8.89
tauro-alpha-muricholate + tauro-beta-muricholiate	C26 H45 N O7 S	514.283124	515.2904	Tauromuricholic acid	8.89
tauro-alpha-muricholate	C26 H45 N O7 S	514.283824	515.2911	Tauro-alpha-muricholic acid	8.79
taurocholate	C26 H45 N O7 S	514.284224	515.2915	Taurocholic acid	10.51
METABOLITES_END
#END