metabolite_name	S10R1	S10R2	S10R3	S11R1	S11R2	S11R3	S12R1	S12R2	S12R3	S13R1	S13R2	S13R3	S14R1	S14R2	S14R3	S15R1	S15R2	S15R3	S16R1	S16R2	S16R3	S17R1	S17R2	S17R3	S18R1	S18R2	S18R3	S19R1	S19R2	S19R3	S1R1	S1R2	S1R3	S20R1	S20R2	S20R3	S21R1	S21R2	S21R3	S22R1	S22R2	S22R3	S23R1	S23R2	S23R3	S24R1	S24R2	S24R3	S25R1	S25R2	S25R3	S26R1	S26R2	S26R3	S27R1	S27R2	S27R3	S28R1	S28R2	S28R3	S29R1	S29R2	S29R3	S2R1	S2R2	S2R3	S30R1	S30R2	S30R3	S31R1	S31R3	S32R1	S32R2	S32R3	S33R1	S33R2	S33R3	S34R1	S34R2	S34R3	S35R1	S35R2	S35R3	S36R1	S36R2	S36R3	S37R1	S37R2	S37R3	S38R1	S38R2	S38R3	S39R1	S39R2	S39R3	S3R1	S3R2	S3R3	S40R1	S40R2	S40R3	S41R2	S41R3	S42R1	S42R2	S42R3	S43R1	S43R2	S43R3	S44R1	S44R2	S44R3	S4R1	S4R2	S4R3	S5R1	S5R2	S5R3	S6R1	S6R2	S6R3	S7R1	S7R2	S7R3	S8R1	S8R2	S8R3	S9R1	S9R2	S9R3
Adenine	642628.6429	11029612.57	16664748.57	6772127.429	10421769.12	7709041.935	3164643.548	5063948.571	4145127.667	8453574.286	4249117.419	6324209.677	5819969.714	7397485.714	10523539.43	15934868.57	5114750.286	9603298.286	6171605.143	14277117.71	12723947.43	14308162.29	6395909.714	4515234.688	7158621.714	14613766.86	14704892.57	5515934.286	3975016.452	6055128.387	2507125.385	5943993.953	4112788.889	6669200	9883017.143	6789796	20207085.71	18941289.14	38418057.14	48897741.71	31305188.57	32257581.71	26067609.14	39684571.43	52887794.29	19789844.57	27804004.57	26694477.71	5532444	8338306.286	9223700.571	19706854.86	20783440	20623920	30627067.43	20424955.43	15434209.14	23035700.57	38984576	11847412.57	33768804.57	36682134.86	15361917.24	9495958.065	12250634.22	11745900	24344560	19690020.57	8997317.143	15825482.29	14059610.29	22565604.57	51852233.14	51960987.43	30484649.14	26617888	12369076.57	26702041.14	36469090.29	26625860.57	52393595.43	32130226.29	40222432	34733332.57	33562208	19310758.86	12817243.43	8529128	16074660.57	18991381.71	5995155.429	16612568	26134361.14	33864809.14	20337506.29	6652421.714	10299165.88	6348212.941	24877725.71	22151417.14	9389027.429	11891740.57	12733006.86	20548404.57	14080961.14	6110597.714	16896225.14	13413666.29	12925824	16907605.71	35264226.29	12581584	10969125.71	10672254.86	19248494.12	6293285.714	16543043.43	19277979.43	16790438.86	11979003.43	11497009.14	8178748	11867997.71	9080293.714	12922490.29	13245646.86	16082586.29	11726985.71	12562196.92	17470018
Adenosine	NA	205789915.4	266554989.7	61103789.71	146634060.4	111930033.5	38734376.77	62075186.29	56157888	50908932.57	59112113.55	57646358.71	65628745.14	55633558.86	136984493.7	88192923.43	42376585.14	66731460.57	51086427.43	176858112	82012352	101152640	57445869.71	71218805	60943744	138298733.7	153853714.3	59285641.14	56687932.9	56492748.39	46540693.33	117915430.7	138932000	52905325.71	68466875.43	59619926.86	150589010.3	100636635.4	226953453.7	187192868.6	143666678.9	134872118.9	162217654.9	130145042.3	139016512	85954102.86	212191872	155053860.6	46627446.86	49646354.29	44235611.43	51157385.14	63992644.57	81612580.57	54687693.71	37141732.57	53634870.86	52921385.14	80333412.57	44334587.43	64840086.86	50835488	73844369.66	150566689	123844773	221224341.3	58973037.71	55830144	42869001.14	47726985.14	49566738.29	52659707.43	91157933.71	66504256	79389266.29	60873097.14	72046912	35767243.43	47907446.86	54368498.29	55269494.86	67638381.71	58124036.57	60202971.43	82498514.29	61785531.43	51050939.43	52655808	60747862.86	57371881.14	34323108.57	64676795.43	60449997.71	60322102.86	68828205.71	199275300.6	227174400	115512630.6	66215757.71	60484356.57	45058116.57	58740356.57	59403437.71	67070523.43	33145652.57	40873257.14	59969462.86	60671817.14	67302738.29	65655716.57	55020539.43	43049682.29	203823981.7	132737956.6	236755463.5	118565101.7	138206720	248131584	157599872	125170249.1	111560676.6	70790070.86	161677293.7	140211081.1	229111899.4	155936164.6	160228717.7	158998171.4	146144160	304972480
Betaine	2684981248	2251641271	2831462400	1587884471	2010552859	1534863030	14024339.49	796583862.9	1730360832	1246791826	1944844222	1114048000	2130325211	1554859739	1900937070	2803403337	1817128960	1218193627	1931983433	2429299858	1283367205	2503587840	1526962322	1710865600	1432426203	1867359086	1589548032	1328130341	1024082168	1590775412	487314740.5	1323015978	1277609671	1968952613	2257810139	1358209609	2082278693	2035167086	2400797550	5814791022	1311333230	1494229431	2112432274	2459842267	2540229486	1030162725	1332580645	1796271543	1923557083	1978095031	1017403246	2051226770	1869089938	1463809902	2097569499	1259518245	1799664933	919790372.6	1542459392	851658825.1	3007617609	1288631150	1848405098	2176461461	1621231591	2244088661	1470666021	1428333275	1105875456	1661290496	1683654656	2157958290	2156103095	1910273317	2258281179	1833851465	1413532965	1544613595	2122316215	2105518811	2265587273	1629847698	2144717385	2212109312	2424569271	1593978734	1561682651	1849484142	1925381998	1100798245	1408293449	1625584786	1658256238	1830699447	2147878619	2234250386	2898505487	1372072056	1365105518	1116781349	1735673271	1527876462	1563409115	2618936759	980685531.4	1149080942	1777052672	2232748325	2896241225	2077592869	2360648997	1618734226	2690147474	1958871333	2475705073	1643542382	2070403950	3599707282	1908124818	1242575287	1472263461	1467977874	1699172791	1982425819	2995351845	1868778057	1938554587	2022776869	1798171372	3472472064
Cytidine	1167.357143	2154378.857	3377891.714	1245738.571	1455161.754	1034028.387	409623.2258	543735.7143	1858597.667	1184276.571	1155313.226	1022701.29	1476063.429	1391289.429	2542981.429	4159999.143	1551186	1234675.429	1838046	2458252.571	2088949.143	2925288.857	1292059.143	1401513.438	1015498.857	2007492	2211889.143	1066038.857	792628.7097	1093125.161	557433.3333	848651.3953	1101314.167	1724921.143	2552445.143	1229192.571	3793151.714	5073758.857	6121079.429	8981130.286	4355854.571	4995148	3776672.857	6984584	8997309.714	3331152.571	3390924	3832347.429	1646237.429	1654755.429	742956	3317887.429	1419255.429	3482321.714	3640317.429	1276954.286	992393.4286	2178569.714	4014152.857	770196.5714	3885406.571	1907120.571	2087716.552	4730564.839	2882840	1406754.667	4048847.143	2606089.143	1309652.286	2711215.143	3512871.429	3834500.857	7912244	5445293.714	5873210.286	4042108.571	1671302.571	2654811.429	3777839.429	2934045.714	4881113.143	3002328.571	4690618.286	2388095.143	3477047.429	1306404.286	2406655.143	1518451.714	2937557.429	1585966.571	1532002.286	1289685.714	2593900.857	3400748	3640818	1586885.429	2027474.706	1480560	2664313.143	1307864.857	2251691.143	1682623.429	1960139.429	3405762.857	1374849.429	1080562.571	2461468	3433110	2972430	1531454.571	2269690.857	2175984.286	3422964.571	2084743.143	1995000.294	1010478.286	2146463.429	3608664.571	3139492.286	1340129.714	1602496	1170024.571	1600748.571	2701244.571	2382190.286	2259615.429	2833081.714	2739096.786	2606576.154	3167276
Cytosine	NA	60107853.71	76562299.43	17296563.43	40790548.77	28135011.61	11852272.26	12060902.86	44941530.67	17988054.86	19523721.29	16782418.06	22106233.14	18584805.71	45544982.86	70057485.71	21715796.57	33209163.43	30046118.86	48149238.86	23869339.43	36300091.43	27431652.57	19435691.25	19663273.14	52104978.29	39665243.43	25141101.71	17376238.71	20099433.55	11289094.36	27093854.88	34774497.78	21422736	28873254.86	25626484.57	67277225.14	59667158.86	104416914.3	153024265.1	58211355.43	61291876.57	69610880	97301860.57	117950482.3	55710514.29	55217014.86	71037380.57	15437640	31941769.14	23796610.29	38646651.43	39792557.71	32704562.29	67527318.86	41430358.86	29382283.43	36580768	56817641.14	19270091.43	61547099.43	60651835.43	31975823.45	43111860.65	40764900.24	41789952	41036278.86	32839846.86	20203572.57	30209920	28510713.14	50370976	79624173.71	78190939.43	65446400	47203058.29	23712368	70488521.14	68120854.86	56387392	99761590.86	54080681.14	80315254.86	68465430.86	59174774.86	35546633.14	46183081.14	22007273.14	37797257.14	31552724.57	28877828.57	32567972.57	48967785.14	59106290.29	59931913.14	38244244.57	51427355.29	27379105.88	40995008	40108909.71	28404336	20957648	27792313.14	46086619.43	24517577.14	22869074.29	29312765.71	39828891.43	35536777.14	40335949.71	64272452.57	26888829.71	65106281.14	40593078.86	72919618.82	30032683.43	44795625.14	79900864	46611254.86	26513792	45933417.14	21687620.57	57653568	33865947.43	71113595.43	50716237.71	37719979.43	35856825.71	36144209.23	83484296
DMSP	208265984	445183378.3	334951168	138945837.7	236784729.8	165360320	62290585.81	45679460.57	74740544	110758226.3	155751741.9	186482745.8	390275693.7	206958043.4	114529069.7	198963273.1	134314715.4	172957952	321518957.7	215742555.4	96106011.43	229010633.1	162925440	167222750	86036269.71	249032960	282193261.7	103611803.4	172128722.6	202202797.4	83324168.21	414621797.2	1125509333	224088466.3	101817490.3	147413065.1	103294985.1	152097243.4	131547392	120225846.9	58657316.57	84438180.57	158376740.6	107394523.4	111420589.7	23844811.43	63038281.14	115496265.1	87998308.57	230246253.7	121212388.6	142080438.9	55341581.71	166689133.7	88072621.71	91254052.57	148416109.7	56318587.43	49499611.43	60525554.29	107116717.7	16054694.86	47323343.45	182844552.3	59705079.52	344149632	47685394.29	94762011.43	130315794.3	71280896	171346176	90433673.14	73854185.14	135422080	93781184	138899702.9	39169120	64774299.43	79961005.71	59032196.57	69073440	82169508.57	75485138.29	60464576	52653929.14	63541179.43	124138075.4	291842450.3	101086253.7	73970816	78374116.57	63768182.86	98328822.86	60247561.14	129569453.7	489236114.3	648373458.8	270390230.6	68297243.43	45659862.86	104784155.4	79852598.86	77044022.86	108144658.3	111788379.4	38176420.57	83963794.29	129097718.9	114295286.9	139332160	80151853.71	205204278.9	558138294.9	414476324.6	480783849.4	409124608	160106459.4	446690523.4	140683017.1	85188169.14	266654427.4	151922258.3	265816228.6	233621357.7	291686217.1	70369924.57	149424905.1	256112822.9	149646510.8	682336832
Guanine	NA	138224082.3	227638582.9	100939520	132705942.5	166895174.2	42354590.97	38578162.29	200601642.7	112979145.1	108538394.8	80796165.16	92677860.57	109375844.6	250063378.3	131330066.3	91208969.14	72949723.43	109175122.3	163692214.9	104014354.3	144739145.1	90637449.14	74481420	100881408	208750793.1	222005376	100263222.9	101674756.1	85922750.97	92464229.74	123402411.2	135046017.8	143763675.4	126713014.9	90456539.43	274546304	247389037.7	348751725.7	352214710.9	225948562.3	190725010.3	268855296	258578980.6	238647186.3	170025636.6	215336210.3	228208146.3	149314642.3	99649389.71	85781494.86	128421065.1	88447597.71	128684992	150335762.3	84119149.71	87416731.43	121831542.9	121204992	71257014.86	127251849.1	104844745.1	179611696.6	154728320	175363562.4	112318304	128804132.6	112648100.6	98563062.86	122670848	120543936	182794130.3	167167433.1	143434477.7	190037174.9	155820964.6	116242230.9	139843995.4	160306230.9	155549403.4	211613476.6	147433618.3	189334582.9	143590436.6	215375945.1	109911186.3	142773412.6	95915913.14	172237970.3	119739858.3	96232384	120025243.4	160232338.3	165817874.3	127454381.7	130465892.6	152177967.1	140100329.4	169805184	100961545.1	131067382.9	106710244.6	132525220.6	171479241.1	69113897.14	94026550.86	82915995.43	135076973.7	138064064	154401133.7	168280064	93224384	233669851.4	158083291.4	123388536.5	86503296	205069202.3	234913590.9	209261184	143171492.6	169533586.3	174602368	194054948.6	273086518.9	186907026.3	220422710.9	172750829.7	176185234.3	197023064.6	253857376
Guanosine	860501.7143	688294.2857	1120797.143	455112	833054.386	535057.4194	244700.9677	378612.8571	896495	282793.7143	285655.1613	377230.9677	1005853.429	356208	638467.7143	768689.1429	646247.1429	650194.8571	771087.1429	1332260	986782.2857	763941.4286	443449.1429	820689.375	463296.5714	877570.8571	900324.5714	449462.2857	307540	429131.9355	137851.7949	336882.7907	374973.6111	431596.8571	494461.1429	464309.1429	565872.8571	552002.5714	1084353.429	840491.4286	1047322.571	1155666	702658.5714	787322.8571	855636	437267.1429	957134	801593.1429	378174	400518.8571	516478.5714	521684.2857	458131.7143	1107584	689142.2857	439919.7143	532210.2857	469069.1429	988665.4286	472621.7143	744733.4286	1006708.857	769885.5172	673807.4194	376860.9639	887592	834422.8571	654078.8571	405906.5714	535546	666912	553441.1429	2121650.857	1156694	928795.7143	591226	771949.1429	493695.4286	484014.5714	829164.5714	614150.8571	532606.8571	629603.7143	861844	876365.4286	895798.8571	683578.2857	507303.4286	510611.4286	1014358.857	652623.4286	647366.8571	492123.4286	604800.5714	801248.5714	560371.4286	618801.4706	514745.5882	704313.7143	677268.2857	466903.1429	545876.5714	563530.5714	1483685.429	413544.8571	554325.7143	498536.2857	494280.8571	698984	609093.7143	709238.5714	573248	869936	834857.7143	928313.2353	461525.1429	494001.1429	987862.2857	430082	448778	510782.5714	511725.4286	526175.1429	414686.8571	607720	795913.1429	662274.8571	972208.2143	693581.5385	1175900
Homarine	77644.64286	185711597.7	178218422.9	70792105.14	76316985.26	135887267.1	16805418.06	39472978.29	81615029.33	60930162.29	104785930.3	64879360	208273536	121668333.7	118874486.9	219187309.7	126895542.9	72174066.29	196768859.4	224403766.9	63901545.14	141432274.3	86130825.14	219540660	88298267.43	97261238.86	79670811.43	75832059.43	64685558.71	80255019.35	43879573.33	110737934.9	86340764.44	141494409.1	116530505.1	95335021.71	118152429.7	134200109.7	155034313.1	173313536	76381568	75165910.86	77644.64286	101235766.9	106706651.4	51211346.29	73363995.43	70304740.57	119610148.6	830283190.9	94405760	106893540.6	101057728	76180219.43	292839826.3	73342596.57	185264329.1	40392950.86	77889764.57	35724052.57	419426304	82823762.29	115950532.4	447047432.3	133750114.7	182795392	76438121.14	102545856	47640178.29	87039149.71	77284946.29	134929654.9	99321554.29	78821056	133951094.9	111948178.3	53909499.43	85612699.43	106801325.7	142246582.9	115858797.7	72737142.86	116532845.7	151953344	145951478.9	159904201.1	162982400	139214317.7	91997019.43	61408036.57	157374884.6	103446180.6	134131958.9	87178569.14	305988370.3	177056128	344688301.2	141414644.7	95806363.43	51776781.71	304540909.7	93015003.43	80409005.71	229382491.4	68111693.71	93334116.57	154753408	335291721.1	339381357.7	114183780.6	229170304	84945636.57	204505892.6	159885257.1	178812084.7	139501778.3	105891593.1	278968941.7	116168329.1	82119780.57	70542157.71	91598098.29	134687158.9	121470985.1	199337033.1	124456603.4	173128923.4	118410480	128976726.2	196306544

metabolite_name	CHEBI	KEGGNAME	quantitated m/z	KEGG ID
DMSP	CHEBI:16457	S,S-Dimethyl-beta-propiothetin; S-Dimethylsulfonium propionic acid; Dimethylpropiothetin; DMPT; DMSP	135.047977	C04022
Betaine	CHEBI:17750	Betaine; Trimethylaminoacetate; Glycine betaine; N,N,N-Trimethylglycine; Trimethylammonioacetate	118.086804	C00719
Homarine	CHEBI:69061	NA	138.055503	NA
Cytidine	CHEBI:17562	Cytidine	244.093347	C00475
Adenine	CHEBI:16708	Adenine; 6-Aminopurine	136.06232	C00147
Guanosine	CHEBI:16750	Guanosine	284.099495	C00387
Adenosine	CHEBI:16335	Adenosine	268.10458	C00212
Cytosine	CHEBI:16040	Cytosine	112.051087	C00380
Guanine	CHEBI:16235	Guanine; 2-Amino-6-hydroxypurine	152.057235	C00242