Data for ST003089
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine | 18836257.53 | 23289263.21 | 11303225.85 | 38917812.58 | 34038379.55 | 24276574.83 | 10077180.84 | 143026.32 | |
| (.+/-.)-1-Amino-2-propanol | 67431090.86 | 67800853.06 | 63816524.05 | 54814896.53 | 54683167.93 | 60726795.05 | 61200012.79 | 1093823.18 | |
| 1-carbapenem-3-carboxylic acid | 35230887.39 | 40731168.87 | 21989852.46 | 40686792.35 | 30713054.87 | 44224600.54 | 43788689.18 | 12451862.09 | |
| 1-METHYLADENOSINE | 79547817.95 | 78320281.53 | 78418704.47 | 80811006.80 | 80764350.03 | 72669783.15 | 80319905.51 | 480429.41 | |
| 1-Methylguanine | 108686437.50 | 115717554.40 | 98003745.84 | 116726993.70 | 116196604.60 | 115227265.70 | 116887705.10 | 575302.97 | |
| 1-METHYL-L-HISTIDINE | 299538205.30 | 462552475.80 | 351172361.70 | 488415653.70 | 471478651.60 | 457785712.70 | 424448070.70 | 2493432.13 | |
| "1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione" | 22313052.70 | 30962490.01 | 7537487.66 | 32637077.04 | 29239713.84 | 32885691.68 | 34990679.69 | 14994243.40 | |
| 1-(sn-glycero-3-phospho)-1D-myo-inositol | 3645204.79 | 4318622.14 | 3903649.77 | 5256383.36 | 4171722.74 | 3440768.03 | 3500699.25 | 234299.51 | |
| 1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitter... | 4130400.50 | 4113644.82 | 2492799.49 | 6206401.70 | 2927908.47 | 3796660.56 | 2135941.60 | 85091.41 | |
| "2,3-Dimethoxy-5-methyl-6-(3-methyl-2-buten-1-yl)-1,4-benzen... | 3407722.28 | 2625086.99 | 637351.95 | 5073439.57 | 2311263.33 | 4590867.44 | 3890144.67 | 124157.92 | |
| "2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose" | 86206029.28 | 64609555.67 | 97958414.12 | 83777126.44 | 71703084.98 | 77454331.06 | 71288849.85 | 227447.73 | |
| "2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose (2)" | 23247201.26 | 29493241.40 | 1172968.59 | 32578830.34 | 27270484.92 | 32400077.77 | 35181485.83 | 15135608.36 | |
| "2,4-Dinitrotoluene" | 9388679.98 | 15910385.31 | 697769.06 | 29929976.44 | 22570622.48 | 24250997.71 | 44050840.00 | 5198880.09 | |
| (2-butyl-1H-imidazol-4-yl)methanol | 70821516.32 | 52976559.48 | 16898107.49 | 62537179.54 | 61511217.65 | 41788436.05 | 65805464.08 | 15750017.90 | |
| "2-Cyclohexyl-4,6-dinitrophenol" | 5799858.91 | 9148680.48 | 292732.64 | 5217838.35 | 5481406.74 | 8376387.15 | 5649657.60 | 2201203.29 | |
| 2-formylphenylformamide | 76035743.46 | 55047672.03 | 120905420.80 | 72632278.73 | 74373649.40 | 53970711.62 | 58828364.00 | 876911.53 | |
| 2-Hydroxycinnamic acid | 102251486.40 | 105891652.20 | 158098263.00 | 97726697.55 | 92018974.77 | 91273748.35 | 108477087.50 | 595011.37 | |
| 2-Methoxy-5-nitrophenol | 399277999.70 | 565909127.90 | 215546489.30 | 644041456.50 | 522161402.30 | 632831460.00 | 703427942.60 | 170086321.90 | |
| (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[10-(2-h... | 115712651.90 | 140381078.30 | 114009968.30 | 202470293.70 | 181957688.40 | 126629733.90 | 73926830.62 | 111137.55 | |
| "(2S,3R,5S)-3-(2-Aminoethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]... | 331064009.20 | 505080600.60 | 43586736.14 | 625256065.40 | 597245731.00 | 554148431.40 | 749080632.20 | 127200703.11 | |
| "(2S,3Z,5S)-3-(2-Aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3... | 168234461.60 | 281019269.20 | 12846148.01 | 344023871.20 | 324927164.70 | 282192467.40 | 419818675.80 | 52821310.16 | |
| "(2S,3Z,5S)-3-(2-Aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3... | 39432729.24 | 64859817.61 | 7155536.86 | 76646157.29 | 63654212.82 | 68328618.54 | 95518914.40 | 19641929.73 | |
| 3-Buten-1-amine | 166867677.50 | 181015057.40 | 245552771.80 | 183689784.70 | 158818107.60 | 157917262.90 | 171131119.60 | 31092827.39 | |
| 3-Methylinosine | 11130876.33 | 14924936.52 | 13841391.19 | 13285589.61 | 15169056.97 | 12732285.68 | 15880623.44 | 753736.61 | |
| 3-METHYL-L-HISTIDINE | 226671306.70 | 278278220.90 | 300260476.70 | 284823558.90 | 334234735.80 | 284089885.00 | 285685945.50 | 434284.53 | |
| 3-ureidopropionate | 23833790.49 | 18636294.10 | 21523047.67 | 35361126.50 | 20220246.60 | 24789906.81 | 29991518.68 | 268220.37 | |
| 4-guanidinobutanal | 39821850.78 | 37595251.80 | 57166793.62 | 35841234.93 | 31590723.81 | 36868527.54 | 36631701.71 | 297693.26 | |
| 4-Heptylphenol | 17239202.84 | 12122165.32 | 24795857.67 | 15054585.53 | 9443652.19 | 21089043.77 | 8099439.15 | 4952401.69 | |
| 4-Hydroxy-3-nitrosobenzamide | 19102767.33 | 30304201.90 | 4017958.99 | 34709272.37 | 35185985.09 | 29979673.66 | 43127816.36 | 5453204.42 | |
| 4-Hydroxy-3-nitrosobenzamide (tail) | 12856803.06 | 20362187.21 | 3193933.87 | 31595537.71 | 27623146.83 | 22103590.79 | 37721705.94 | 10017077.38 | |
| 4-Hydroxybenzaldehyde | 47989831.46 | 51024941.82 | 74793019.77 | 46847491.88 | 45549593.16 | 41588541.82 | 55229809.43 | 1004973.25 | |
| 4-Hydroxyphenylacetylglycine | 3977535.08 | 5768992.32 | 6668615.56 | 7333844.31 | 4800648.80 | 3624718.15 | 4350542.01 | 226774.47 | |
| 4-Methyleneglutamine | 492370652.30 | 537091122.90 | 642826573.00 | 522811535.50 | 457154291.00 | 512454988.20 | 453361754.60 | 24180141.75 | |
| 4-(Methylthio)-2-oxobutyric acid | 141543528.90 | 259411950.50 | 154984264.70 | 128419599.60 | 128787605.00 | 153461354.50 | 137029405.30 | 258945.38 | |
| 5-Acetamidopentanoic acid | 28349768.79 | 38163263.56 | 24712388.90 | 23813998.85 | 25097807.68 | 22333906.12 | 32562646.01 | 1228436.98 | |
| 5-Methylcytidine | 20908449.20 | 21728577.42 | 20176514.85 | 23375541.33 | 22401952.36 | 22077745.01 | 23388424.37 | 671667.53 | |
| 5-METHYLCYTOSINE | 76807656.49 | 70224811.97 | 53201632.33 | 66458634.88 | 67889813.03 | 74502170.47 | 66397728.64 | 2523777.10 | |
| "6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol" | 40426757.35 | 69502487.21 | 47905735.90 | 60450166.53 | 60292413.80 | 58227743.87 | 58636239.12 | 629810.45 | |
| 6-methyltetrahydropterin | 15872862.60 | 19296924.80 | 15104407.38 | 185253.70 | 23573885.38 | 27072312.83 | 25415982.00 | 330241.16 | |
| 7-Methylguanosine | 46223655.51 | 52127104.88 | 45390211.15 | 53866434.51 | 51803584.38 | 50893337.01 | 51597940.49 | 597007.22 | |
| Aceglutamide | 18479995.57 | 29417218.20 | 4984741.65 | 29688330.43 | 25079203.28 | 32631712.39 | 34394865.75 | 7669441.96 | |
| Acetylarginine | 17358409.05 | 26792522.88 | 13627772.70 | 30845024.68 | 14134999.66 | 32778928.43 | 22634739.76 | 250623.27 | |
| acetylcarnitine | 1229245907.00 | 1362980000.00 | 2504707250.00 | 1518636018.00 | 1145907163.00 | 949457479.30 | 1329262525.00 | 871579.36 | |
| afegostat | 49795002.73 | 56962556.23 | 72382001.90 | 53931008.97 | 60473358.89 | 53678555.50 | 44550339.02 | 1294375.63 | |
| ALA-GLU | 204987537.70 | 330275848.00 | 32562465.73 | 349113054.50 | 257807388.20 | 385775608.60 | 333790093.30 | 112479287.48 | |
| Ala-Leu | 28478702.25 | 30939481.56 | 26362582.35 | 32179469.46 | 33591435.94 | 29258065.91 | 30553568.16 | 365326.53 | |
| alanine | 324423406.50 | 396604742.50 | 394595307.60 | 395204969.20 | 319134019.00 | 330818331.00 | 319123535.30 | 5838661.67 | |
| AMP | 32226697.11 | 28734925.28 | 21798838.03 | 32430311.00 | 45754008.42 | 46235760.52 | 21565514.92 | 219925.30 | |
| arginine | 3711186997.00 | 3553396536.00 | 5443294063.00 | 3281555232.00 | 2870299882.00 | 3388762410.00 | 3358680339.00 | 30599122.80 | |
| argininosuccinate | 13600991.93 | 11887156.05 | 14370263.58 | 14171163.17 | 9401901.85 | 11700408.36 | 10396772.23 | 146689.17 | |
| Asarone | 2974588.78 | 3781586.06 | 2538702.08 | 4065012.50 | 5582551.49 | 3930063.85 | 6780117.08 | 124653.32 | |
| asparagine | 143786824.30 | 175636575.60 | 255617001.40 | 140961044.40 | 158253319.30 | 129983690.30 | 168846520.90 | 3059232.00 | |
| Aspartame | 16108981.79 | 15234319.18 | 34671584.80 | 14296910.03 | 14097762.25 | 13581123.48 | 15265333.96 | 106433.93 | |
| bacimethrin | 9762537.12 | 15422823.88 | 1531933.01 | 21217144.97 | 15659383.85 | 16016885.11 | 19471562.27 | 4912806.64 | |
| b-Ala-Lys | 2186353.09 | 2370248.38 | 1999336.47 | 2004962.38 | 1841644.12 | 1922502.09 | 1696371.85 | 61329.85 | |
| Benzoxazolone | 7911154.72 | 5554232.34 | 10616611.34 | 4754600.41 | 12431496.31 | 9787084.99 | 10228555.63 | 244385.15 | |
| beta-Hydroxyasparagine | 27239102.62 | 48235978.80 | 14453707.21 | 80213438.12 | 63427363.51 | 66101603.97 | 93990536.89 | 10976214.22 | |
| betaine | 3976772572.00 | 5967007006.00 | 13260161146.00 | 6285953288.00 | 6893740336.00 | 4526520952.00 | 5409178710.00 | 216767137.57 | |
| biotin | 59530760.71 | 75507526.38 | 60019291.01 | 72517111.72 | 64227514.91 | 50218644.21 | 66681904.47 | 863908.09 | |
| Butyrylcarnitine | 131848178.20 | 136554811.60 | 239262200.80 | 168517162.50 | 128211461.00 | 134367602.90 | 166368982.30 | 1268093.57 | |
| BZ7175000 | 479461303.80 | 803287650.10 | 26368166.78 | 979924584.10 | 881107953.40 | 890608355.80 | 1205212030.00 | 159287693.78 | |
| C10 H12 N2 O6 | 14428726.48 | 20537474.32 | 1279063.59 | 33686438.63 | 25394587.17 | 25981991.16 | 43598059.48 | 4804297.53 | |
| C10 H16 N6 O9 | 44477328.63 | 32402587.01 | 24176395.77 | 35371772.15 | 29712620.16 | 26570534.51 | 36917486.21 | 7974583.06 | |
| C10 H16 O5 | 45566138.17 | 46794113.77 | 13430557.91 | 20760822.01 | 7974743.68 | 13958939.24 | 19884603.03 | 3976513.78 | |
| C10 H17 N O5 | 5872575.16 | 5536600.22 | 6974099.57 | 6790486.74 | 4037433.70 | 4703453.49 | 4465442.68 | 126429.88 | |
| C10 H19 N O7 | 17616334.54 | 10156154.74 | 7491460.17 | 9856663.09 | 9694987.46 | 10400771.54 | 10578761.60 | 395097.16 | |
| C10 H20 N2 O5 | 59426882.40 | 80619110.86 | 8196537.31 | 75210071.68 | 90137037.24 | 78231924.14 | 97084015.90 | 240018.40 | |
| C10 H20 N4 O5 | 14764844.81 | 14473770.43 | 3001519.39 | 14569015.60 | 12059514.21 | 14167902.54 | 14478153.24 | 215602.62 | |
| C10 H21 N5 O3 | 20930379.26 | 29452201.09 | 24521372.60 | 22966198.12 | 22408780.00 | 21580730.40 | 25289436.28 | 112253.63 | |
| C10 H22 N2 O3 | 15996577.00 | 22852536.70 | 17602099.99 | 16429398.38 | 17816170.73 | 13598127.37 | 18743610.77 | 214967.53 | |
| C10 H22 N2 O4 | 15370873.99 | 32287072.51 | 151348648.10 | 35425813.36 | 41621886.42 | 19348685.83 | 25906304.41 | 223251.52 | |
| C10 H26 N4 O10 S | 3853564.79 | 5400902.74 | 4095311.52 | 9262860.20 | 6608995.13 | 7873185.72 | 8905590.39 | 188873.64 | |
| C11 H15 N3 O5 | 19320966.59 | 30660957.35 | 2569231.31 | 77289336.05 | 44363933.29 | 66837498.97 | 122486933.00 | 13022108.52 | |
| C11 H15 N3 O7 | 90196263.92 | 167237389.80 | 939471.17 | 212757508.50 | 176023199.50 | 173955364.20 | 257076943.50 | 50362833.57 | |
| C11 H15 N O10 | 3746384.96 | 3815708.66 | 5168128.53 | 4564713.80 | 4134133.74 | 3636704.41 | 3697491.85 | 72887.48 | |
| C11 H19 N3 O6 | 6030044.30 | 6665530.45 | 4839500.72 | 8450396.64 | 5860334.27 | 8849240.98 | 10723813.62 | 1429960.27 | |
| C11 H20 N2 O5 | 38763009.60 | 37199935.38 | 64713713.94 | 34332102.03 | 26055120.96 | 31289485.82 | 33770987.46 | 119586.32 | |
| C11 H21 N5 O5 | 60181065.67 | 47322267.33 | 104153785.70 | 45160510.83 | 40123945.19 | 46892355.43 | 46644318.51 | 99432.55 | |
| C11 H23 N3 O3 | 100177281.10 | 93458239.57 | 57127001.01 | 95420969.89 | 88860958.84 | 125014622.30 | 94950119.09 | 118720.48 | |
| C11 H30 N7 O2 P | 9347817.00 | 10080768.82 | 274215.62 | 13577654.30 | 7687542.71 | 12455530.94 | 6789825.49 | 169350.23 | |
| C12 H11 N7 O2 | 39693042.20 | 34936566.14 | 25698617.08 | 45523105.46 | 33041404.79 | 42814087.09 | 57119724.81 | 1047327.25 | |
| C12 H12 O S | 21647191.35 | 19469598.43 | 17533394.69 | 20360753.94 | 18886631.81 | 24777099.33 | 22662718.62 | 260330.69 | |
| C12 H17 N3 O6 | 47050893.95 | 75312182.21 | 8384904.66 | 118796411.20 | 93411676.41 | 111298150.40 | 163914767.80 | 71275812.56 | |
| C12 H18 N2 O8 | 7127655.24 | 7707236.92 | 6045345.31 | 7708942.59 | 6130616.59 | 7757744.75 | 8203281.87 | 1440143.12 | |
| C12 H19 O P S | 6208163.65 | 6352304.04 | 3029655.96 | 6570100.76 | 5537135.72 | 7006540.23 | 5577064.30 | 1471682.37 | |
| C12 H21 N3 O2 S2 | 8177412.52 | 15694225.85 | 716297.19 | 22040665.11 | 13887353.20 | 24010231.61 | 22733377.15 | 7644212.80 | |
| C12 H21 N3 O4 | 3076737.31 | 4638183.78 | 149822.31 | 7233068.87 | 6724371.01 | 5790434.97 | 8024162.54 | 1023263.66 | |
| C12 H21 N O6 | 13336421.32 | 7871914.74 | 10665564.95 | 11563491.51 | 9040264.33 | 14763984.10 | 11047338.49 | 246352.70 | |
| C12 H22 N9 O4 P | 1286886.12 | 1097247.32 | 626405.80 | 1700111.95 | 1226927.95 | 1545307.51 | 2220542.33 | 103222.04 | |
| C12 H22 N O3 P S | 8968836.19 | 12998959.69 | 2116470.24 | 18599776.34 | 15469497.92 | 18281881.80 | 18041639.41 | 4670739.24 | |
| C12 H27 N O7 | 9181347.80 | 8043103.94 | 5607537.13 | 8121262.36 | 7375216.35 | 10281868.87 | 8518185.83 | 124244.81 | |
| C12 H28 N O11 P | 1992533.24 | 2262048.17 | 3665852.06 | 3660531.54 | 5864158.01 | 2686670.58 | 3495985.04 | 877436.99 | |
| C13 H23 N3 O8 | 32842541.85 | 29001306.16 | 17955744.27 | 31223724.49 | 29569638.20 | 38567820.27 | 31754654.06 | 428838.03 | |
| C13 H23 N3 O8 (2) | 3694562.31 | 6955008.75 | 167023.75 | 9708740.10 | 7274185.27 | 8829642.32 | 11274230.71 | 1752188.78 | |
| C13 H28 N2 O3 S2 | 4040977.28 | 4314008.41 | 2439865.03 | 4712397.36 | 3543371.67 | 4185302.88 | 3753596.49 | 108586.73 | |
| C13 H31 N5 O6 S | 15501596.00 | 16175970.53 | 42895162.69 | 13453535.11 | 9862677.91 | 14065433.14 | 13469353.27 | 174885.93 | |
| C13 H31 N5 O6 S (2) | 12684168.81 | 11052775.06 | 21993578.50 | 8236243.56 | 8767089.76 | 9537089.76 | 10616396.40 | 104624.45 | |
| C13 H36 Br N9 O6 | 24806204.67 | 17931105.48 | 36474407.58 | 17395315.97 | 17461075.08 | 13654608.38 | 17076089.98 | 439766.47 | |
| C14 H22 O6 | 2140588.40 | 2248906.06 | 1428765.44 | 3785678.65 | 3284115.58 | 2997704.49 | 4634050.72 | 836953.97 | |
| C14 H25 N O6 | 8043004.78 | 8440728.96 | 6617022.34 | 13530479.62 | 11045875.68 | 11285563.80 | 14565915.74 | 3461379.08 | |
| C14 H27 N3 O5 | 7697635.65 | 6284243.24 | 5765708.33 | 7188005.30 | 5971252.06 | 8022918.24 | 7348207.45 | 111906.02 | |
| C14 H27 N7 O2 S | 65265173.50 | 80125083.87 | 100813310.10 | 55997099.06 | 73315344.34 | 66267741.42 | 66559254.13 | 214218.71 | |
| C14 H27 N9 O5 P2 | 2847499.63 | 5383823.66 | 728760.89 | 7399095.86 | 6682188.01 | 5506558.66 | 7045079.80 | 837072.60 | |
| C14 H28 O13 | 2991285.53 | 3039271.08 | 5564388.35 | 2320107.37 | 3597893.83 | 3306382.87 | 2952206.43 | 126763.18 | |
| C14 H31 O P3 | 7809837.21 | 10622324.86 | 10708978.71 | 5796653.87 | 6000710.95 | 6804439.44 | 8319727.25 | 110338.22 | |
| C14 H35 N10 O3 P S2 | 2659542.14 | 2345017.71 | 1500923.94 | 2824924.21 | 2591338.56 | 3055692.80 | 2824549.38 | 106602.27 | |
| C15 H10 N2 O S | 29657543.32 | 26002886.46 | 24842103.58 | 25923298.80 | 28893090.34 | 25447312.97 | 24466252.19 | 324061.20 | |
| C15 H21 N O2 P2 | 13028818.80 | 12723225.15 | 8446959.13 | 10660784.94 | 10066159.19 | 16847670.50 | 11688966.39 | 2946448.49 | |
| C15 H23 N O10 | 37420813.33 | 48099025.01 | 57933663.88 | 42731481.92 | 45442353.39 | 39716970.29 | 37333859.69 | 624898.34 | |
| C15 H25 N2 O7 P | 1602233.97 | 7367825.11 | 2845778.67 | 8427401.62 | 6003994.34 | 6358584.78 | 7511938.90 | 413609.88 | |
| C15 H30 N2 O3 | 1514008.63 | 6905398.14 | 2977437.12 | 2416677.50 | 4319888.64 | 2607609.14 | 7336018.47 | 597408.75 | |
| C15 H30 N3 O P S | 5588128.96 | 5595987.32 | 7807775.60 | 5236006.77 | 5946502.41 | 5760495.73 | 6073300.32 | 132478.74 | |
| C15 H30 N O P S | 10286252.33 | 8683069.83 | 8670206.49 | 7465863.80 | 8078746.13 | 9132441.24 | 10240795.66 | 190316.75 | |
| C15 H31 N3 O6 P2 S | 14678219.44 | 14230259.04 | 22411273.11 | 13177145.42 | 12760361.48 | 11097302.66 | 13701241.83 | 234677.97 | |
| C15 H31 N O6 | 2121432.23 | 3050087.18 | 1847295.38 | 1077061.85 | 8118431.81 | 571236.77 | 5029239.53 | 406104.63 | |
| C15 H36 N9 O P | 3103927.00 | 5108125.28 | 4182389.22 | 4257449.04 | 7616181.17 | 1806795.86 | 3454022.21 | 160973.77 | |
| C16 H23 N4 O3 P | 8342749.09 | 5844455.86 | 7715662.96 | 7144765.79 | 6763130.86 | 8788699.37 | 7242088.37 | 203447.65 | |
| C16 H26 N2 P2 | 4710849.59 | 5921528.57 | 4761700.82 | 4172231.83 | 4183515.67 | 4536329.12 | 5042444.30 | 224066.57 | |
| C16 H28 N2 O3 | 12935587.85 | 19180194.71 | 895997.30 | 19004455.15 | 16370358.06 | 17528995.72 | 14474884.55 | 3469568.42 | |
| C16 H29 N O3 | 4086179.65 | 4868771.88 | 5189065.05 | 4243553.31 | 4134947.54 | 4488653.10 | 2964734.03 | 1076502.57 | |
| C16 H31 N O2 | 6941634.03 | 4233304.74 | 5679037.95 | 2308365.83 | 2698072.92 | 6043046.61 | 1532715.36 | 107599.29 | |
| C16 H33 N O2 | 5464984.16 | 16454214.53 | 8072744.58 | 2361477.68 | 4655351.90 | 16697873.97 | 2483086.94 | 200017.35 | |
| C16 H33 N O3 | 4794188.40 | 5786491.74 | 5587963.44 | 5351419.82 | 4414513.31 | 5101811.49 | 2066192.76 | 940905.91 | |
| C17 H25 N O10 | 1860916.02 | 2346479.77 | 1859669.69 | 2068118.22 | 2241682.28 | 1798872.75 | 2220415.89 | 62588.97 | |
| C17 H34 N2 O3 | 2096185.21 | 8620051.06 | 2770088.24 | 3131620.46 | 4308796.77 | 1440534.74 | 4522958.68 | 643335.29 | |
| C17 H36 O8 | 7545512.61 | 7516566.07 | 4209694.42 | 6849297.76 | 6609529.36 | 9301575.91 | 7815288.22 | 130288.53 | |
| C17 H47 N9 O2 P2 | 12506655.98 | 11557163.10 | 6651284.92 | 7310622.50 | 3077908.74 | 2682833.05 | 1971608.70 | 98397.51 | |
| C18 H27 N O10 S | 37912075.46 | 28964139.69 | 59326535.61 | 27219568.17 | 26547909.49 | 21253890.23 | 27995723.68 | 410587.51 | |
| C18 H2 Cl N2 P | 1022947.35 | 742468.69 | 1245355.62 | 1463429.19 | 1631641.62 | 487324.48 | 1542711.73 | 58014.31 | |
| C18 H31 P S | 2100031.93 | 3278300.14 | 343668.93 | 4218734.71 | 3723390.83 | 2762551.46 | 2372700.54 | 99475.60 | |
| C19 H22 N10 O6 | 187907743.10 | 307679647.60 | 166198571.50 | 489646698.40 | 334046111.00 | 470506491.10 | 461485132.00 | 333012.87 | |
| C19 H30 N2 O5 S2 | 2343268.02 | 3999994.57 | 1533789.29 | 5968252.91 | 2683830.01 | 2804172.45 | 3390139.76 | 131458.27 | |
| C19 H31 N10 O6 P S2 | 981630.73 | 1530530.44 | 2360484.41 | 2012991.19 | 1395440.66 | 859965.55 | 1589691.19 | 114789.04 | |
| C19 H38 N2 O3 | 24013326.42 | 67936782.66 | 16476198.67 | 30724424.09 | 29535112.98 | 8638598.45 | 18355238.77 | 2782171.55 | |
| C19 H45 N8 O3 P | 8771168.72 | 8577539.68 | 8617947.70 | 9779871.68 | 9010689.83 | 10373168.82 | 7012171.44 | 387484.74 | |
| C19 H47 N9 O3 P2 | 5561417.19 | 4918750.80 | 4340397.54 | 5715036.65 | 5609944.24 | 4544163.42 | 3156930.83 | 230803.37 | |
| C20 H15 N7 O S | 6126311.61 | 5885290.21 | 4650486.10 | 6591913.99 | 6014241.68 | 5698386.84 | 5918922.90 | 337332.18 | |
| C20 H23 N O11 | 16478748.01 | 18131752.41 | 24064476.83 | 15352124.55 | 13184439.18 | 14215715.54 | 14958563.78 | 1291906.50 | |
| C20 H31 N4 O4 P S | 31328204.28 | 22948958.64 | 21833644.07 | 22606449.75 | 23733951.77 | 27006432.74 | 23435931.21 | 294610.53 | |
| C20 H36 N2 O8 P2 | 98076532.26 | 69742150.09 | 151156888.80 | 68642279.36 | 71546541.14 | 53283102.89 | 69135269.75 | 431195.16 | |
| C20 H43 N O2 | 5558896.63 | 7707663.90 | 5089045.36 | 16070343.78 | 10614733.58 | 7915912.57 | 3407718.61 | 183970.12 | |
| C20 H45 N10 O2 P S2 | 1496689.87 | 2936302.70 | 1908674.43 | 3860504.48 | 2329860.58 | 2863258.90 | 1975159.14 | 154217.57 | |
| C21 H33 N3 O3 | 396381979.50 | 395312276.40 | 360973405.90 | 391162400.00 | 457461731.90 | 455288335.70 | 313748997.80 | 38434337.86 | |
| C21 H36 N4 O3 | 617628160.20 | 626529042.50 | 567076069.00 | 601918216.60 | 707047291.80 | 719798317.70 | 485077838.90 | 57739166.27 | |
| C21 H45 N3 O6 S | 5814046.74 | 8039559.37 | 4349615.00 | 11518198.31 | 8802786.88 | 7205985.87 | 2786313.69 | 166067.81 | |
| C21 H52 N7 O3 P3 | 34505077.62 | 50364263.06 | 29839215.12 | 86987656.12 | 68001794.49 | 49337747.21 | 15728123.69 | 118184.89 | |
| C22 H39 N4 O2 P | 4340535.54 | 4635381.75 | 2122280.85 | 3210289.20 | 3828179.94 | 887013.67 | 1515610.70 | 206417.95 | |
| C22 H41 P3 | 53331236.38 | 48241833.70 | 26912703.79 | 36602977.80 | 16629695.09 | 14645858.84 | 10732062.74 | 2496209.14 | |
| C22 H49 N9 O4 S2 | 5073488.38 | 7541405.84 | 3515292.43 | 11891764.26 | 10554292.98 | 7669749.21 | 2033762.40 | 83934.47 | |
| C22 H53 N7 O12 | 3628633.66 | 3595209.80 | 3327111.12 | 5049862.82 | 5470053.87 | 2507941.65 | 3038497.16 | 177632.95 | |
| C23 H23 N O2 S | 2550377.10 | 2108560.94 | 2267251.14 | 1913069.52 | 2090867.60 | 1898622.63 | 2452210.78 | 117827.81 | |
| C23 H24 O5 S | 10208903.41 | 10750758.26 | 10439994.17 | 12776249.16 | 11783093.31 | 9735863.01 | 10706871.25 | 465516.30 | |
| C23 H40 N4 O3 | 513289327.00 | 469269219.10 | 434764239.30 | 486264098.20 | 602935990.40 | 568930375.50 | 416450016.20 | 63707280.51 | |
| C23 H40 N4 O4 | 5207171.42 | 4558827.04 | 4407545.91 | 5410390.70 | 5224250.25 | 5808339.79 | 4111929.52 | 291404.78 | |
| C23 H49 N2 O4 P | 656162174.50 | 668669002.50 | 646664958.90 | 642070840.50 | 790222116.20 | 752135709.60 | 525777976.20 | 71527306.98 | |
| C25 H31 N3 O S | 3466660.37 | 3397308.76 | 3358383.57 | 3755503.96 | 3213183.78 | 3677736.83 | 3614888.92 | 214085.68 | |
| C25 H46 N6 | 9635281.28 | 47328600.43 | 42315834.13 | 4492434.45 | 4729408.30 | 88541518.54 | 7664183.11 | 799092.74 | |
| C25 H51 N3 O4 P2 | 42508370.71 | 85479334.64 | 22698380.17 | 94447278.43 | 76731771.43 | 33325105.90 | 25004870.81 | 127021.88 | |
| C25 H55 N3 O4 P2 | 58395251.28 | 64785592.15 | 34280812.19 | 110929056.10 | 101733196.30 | 73900333.45 | 36315788.74 | 115917.11 | |
| C27 H44 | 10853914.95 | 11693019.45 | 10333796.68 | 11148956.11 | 9860093.02 | 11748226.71 | 10386541.85 | 285533.76 | |
| C27 H58 N9 O5 P S | 2125423.73 | 2042775.53 | 1899988.43 | 2905459.17 | 3046155.80 | 1142865.61 | 1614072.66 | 95159.90 | |
| C28 H53 N O8 S | 5518689.92 | 4677445.98 | 4748678.13 | 6177346.93 | 8433690.41 | 3110817.27 | 5221644.09 | 996152.66 | |
| C29 H69 N9 O10 | 4606708.18 | 6621617.83 | 3070454.96 | 5425634.88 | 3146678.80 | 2575788.62 | 3279795.54 | 71517.15 | |
| C30 H45 N9 | 3566363.44 | 2771064.33 | 1694100.84 | 3787806.79 | 4146405.75 | 2894134.52 | 2168013.12 | 1070874.25 | |
| C30 H53 N5 O2 | 1139184.41 | 1539898.14 | 6399685.18 | 9568492.67 | 7783367.80 | 1975252.67 | 589811.55 | 182028.53 | |
| C31 H41 N2 O7 P | 24197311.79 | 34904781.50 | 11666622.16 | 34288550.29 | 36749152.99 | 22644256.28 | 11673090.77 | 139757.01 | |
| C31 H76 N9 O6 P3 | 1900939.21 | 2294984.22 | 1313524.24 | 3002413.93 | 3424147.77 | 3623802.74 | 967336.90 | 79735.34 | |
| C32 H57 N5 O2 | 2301345.80 | 1396511.39 | 9970247.34 | 13244084.78 | 11269507.95 | 3353008.57 | 671660.01 | 110956.03 | |
| C33 H65 N O6 | 1506225.22 | 669204.87 | 6369283.87 | 6350088.31 | 4684654.93 | 1811155.27 | 197815.65 | 118958.64 | |
| C34 H72 N6 P2 | 8612189.98 | 9417390.86 | 5913417.24 | 13380404.31 | 13349013.54 | 9091153.57 | 4614895.29 | 58854.24 | |
| C34 H72 N7 O6 P | 24559798.04 | 35170480.36 | 18642293.35 | 47769408.58 | 34942103.83 | 25425672.11 | 16341743.46 | 115511.18 | |
| C34 H77 N5 O7 P2 | 7447047.60 | 9937125.57 | 5339646.52 | 12944560.75 | 14360065.80 | 8856772.36 | 4978882.06 | 86652.19 | |
| C35 H73 N8 O4 P | 12837005.31 | 14850305.82 | 7716039.25 | 20387644.28 | 16586418.83 | 15783317.48 | 7497549.17 | 115628.22 | |
| C35 H75 N9 O4 S | 4886252.12 | 5631695.17 | 3403618.87 | 10468854.16 | 7637627.17 | 5696683.09 | 2873743.26 | 95778.12 | |
| C36 H79 N5 O13 | 8134663.92 | 9707091.54 | 5539360.16 | 13626193.40 | 12315646.70 | 8146370.94 | 4527463.26 | 82023.27 | |
| C38 H83 N5 O13 | 2802684.57 | 3376625.52 | 1444268.65 | 4856270.68 | 5203691.78 | 3645678.51 | 1221526.66 | 76452.83 | |
| C3 H12 N7 O3 P | 29372339.37 | 42439967.45 | 32797786.72 | 48699640.13 | 32952258.23 | 38264665.25 | 37416849.49 | 514353.18 | |
| C3 H12 N9 O P S | 6258692.73 | 5748489.08 | 6797904.77 | 6651585.59 | 4925908.67 | 5840114.92 | 6202667.71 | 218953.23 | |
| C3 H4 N8 O | 42857902.79 | 46471507.83 | 42990055.79 | 44507771.70 | 53475771.13 | 59559678.54 | 48877958.19 | 415139.98 | |
| C3 H8 N9 O P S | 3060047.75 | 3678422.68 | 4929726.10 | 3435484.41 | 3133414.33 | 2768335.35 | 3171831.57 | 95137.84 | |
| C3 H9 N10 O5 P | 6697185.45 | 5612992.46 | 7096951.69 | 10161740.01 | 8671449.87 | 4764500.54 | 9351530.95 | 86573.49 | |
| C40 H31 N2 O P S | 2074959.00 | 2592958.81 | 4561912.51 | 4178465.79 | 3286201.49 | 1746567.61 | 3044487.73 | 114202.15 | |
| C40 H81 N5 O7 P2 | 92592116.41 | 115891940.20 | 69493630.55 | 142096418.00 | 176782804.40 | 120865774.00 | 53147224.76 | 87118.42 | |
| C41 H73 N3 O7 | 1062069.00 | 3259933.73 | 1160390.05 | 2152493.10 | 1951246.18 | 2197911.61 | 1341741.44 | 71111.99 | |
| C42 H81 N5 O7 P2 | 2485618.23 | 3357354.04 | 1866665.12 | 3967975.69 | 4888460.47 | 3501144.07 | 1183281.24 | 82404.80 | |
| C42 H81 N O3 | 2817016.76 | 3764596.01 | 3241250.87 | 4223698.49 | 3764537.30 | 1482582.43 | 995401.75 | 84607.57 | |
| C42 H83 N9 O8 P2 | 4009145.31 | 5049825.81 | 2899975.42 | 5845962.40 | 6632637.83 | 4456255.02 | 2386603.92 | 54800.67 | |
| C43 H74 N O7 P | 9321727.05 | 11560337.16 | 10565259.60 | 15477875.01 | 17557083.78 | 7907326.78 | 5301564.88 | 89522.27 | |
| C43 H78 N5 O3 P | 17746928.84 | 20664750.06 | 11512645.55 | 19120645.57 | 27070360.65 | 19091625.59 | 9242932.02 | 91816.38 | |
| C43 H87 N8 O4 P | 23340312.52 | 18768634.05 | 16851601.95 | 46994875.37 | 20828499.82 | 21378453.92 | 12285353.45 | 136520.99 | |
| C45 H76 N P3 | 3304172.26 | 3388689.36 | 3529980.46 | 6080363.02 | 4787916.75 | 2681403.97 | 1507411.32 | 77182.74 | |
| C46 H48 N10 O9 | 13283891.76 | 20734182.89 | 11133556.40 | 36783499.46 | 40633981.75 | 35730443.58 | 6058607.40 | 45554.87 | |
| C46 H72 N5 O3 P | 1956628.74 | 3164147.49 | 2645036.74 | 3100132.82 | 3891845.18 | 2201664.88 | 1466703.65 | 64516.45 | |
| C46 H81 N3 O7 | 53404408.54 | 63093593.05 | 33906332.54 | 97358854.70 | 79831772.41 | 53585894.47 | 26545328.60 | 124736.03 | |
| C47 H86 N4 O5 | 1758512.22 | 10422531.00 | 5835754.95 | 3358159.19 | 11533920.25 | 4502431.72 | 440978.27 | 113120.87 | |
| C48 H73 N7 O8 | 1089836.77 | 1339238.14 | 523774.42 | 1830129.12 | 2393634.68 | 1560121.13 | 591569.18 | 53906.45 | |
| C4 H2 N6 O5 | 30257805.50 | 38637040.56 | 45268014.28 | 48736116.30 | 35940863.23 | 28801629.12 | 40709773.58 | 61945.78 | |
| C4 H5 N O | 426744250.10 | 432705940.40 | 411930712.90 | 414894621.60 | 438588082.70 | 465841416.50 | 427162507.80 | 5183310.89 | |
| C4 H6 N6 O4 | 14594589.44 | 19670549.97 | 47810398.17 | 3991092.30 | 20054565.87 | 28814054.15 | 24413828.81 | 310272.00 | |
| C4 H9 N S | 42155267.55 | 95332309.54 | 83988217.32 | 42421264.30 | 40738742.60 | 49805965.70 | 48512770.07 | 555181.00 | |
| C50 H69 N7 O5 P2 S | 783172.11 | 1006540.37 | 797704.37 | 2205092.46 | 2205079.07 | 1548496.08 | 403420.62 | 42995.06 | |
| C50 H74 N6 O8 | 1890680.18 | 2633077.92 | 1806094.68 | 3416254.42 | 3440204.18 | 2166673.43 | 902429.76 | 49941.72 | |
| C53 H58 O7 P2 | 5126640.87 | 6058323.71 | 3568207.75 | 16495459.70 | 11254179.55 | 9905805.56 | 1645090.08 | 46603.08 | |
| C53 H61 N O8 P2 | 8685551.08 | 14303410.47 | 6826727.18 | 23193905.67 | 26716042.26 | 24042093.05 | 3820261.17 | 45914.89 | |
| C53 H81 N O5 | 45184920.20 | 55666132.25 | 26994766.66 | 71225647.31 | 80864346.80 | 52556562.56 | 22408984.97 | 94667.03 | |
| C57 H69 N O8 P2 | 3187925.89 | 5066982.94 | 3411292.68 | 8622224.78 | 10057881.81 | 7763084.18 | 2036667.44 | 44134.25 | |
| C58 H56 N7 O2 P | 6387458.58 | 7146513.68 | 5140026.64 | 17246314.01 | 13242681.37 | 11936173.93 | 2182595.04 | 41125.50 | |
| C58 H56 N7 O3 P | 30020918.12 | 43557458.39 | 28414318.35 | 77042978.47 | 86415344.71 | 75053575.77 | 15110925.40 | 49288.82 | |
| C5 Carnitines | 88304695.23 | 70216797.83 | 160378056.00 | 82137014.40 | 49239846.41 | 56426313.67 | 81192844.64 | 737053.05 | |
| C5 H10 N2 O6 | 16502528.84 | 29883926.44 | 5929942.87 | 33220940.50 | 25897930.16 | 30582252.86 | 32536410.98 | 7263035.24 | |
| C5 H14 N O4 P | 58612453.64 | 73562936.23 | 39713241.08 | 106265122.30 | 94752194.90 | 53621189.64 | 30309757.27 | 421518.22 | |
| C5 H15 N3 O P2 S | 44340639.69 | 58326024.08 | 18061432.99 | 57756874.38 | 58256330.48 | 59016037.65 | 63971851.02 | 18201145.22 | |
| C5 H17 N6 O3 P | 5444675.00 | 4546837.39 | 3258960.02 | 4208924.18 | 4552437.33 | 5474546.30 | 7575256.58 | 293648.42 | |
| C5 H2 N10 | 8004048.44 | 5747096.63 | 7052900.89 | 5687560.94 | 6326171.05 | 12484234.56 | 7226380.83 | 114035.65 | |
| C5 H2 N2 O3 | 5704199.32 | 9103654.62 | 361754.87 | 11578708.26 | 9959549.36 | 11311866.94 | 13154015.48 | 2216394.37 | |
| C5 H3 N O2 | 71314018.10 | 108985242.20 | 37078762.24 | 114507200.10 | 101904596.00 | 108391393.10 | 126003003.00 | 31026368.59 | |
| C5 H5 N O5 | 17382648.72 | 31702294.60 | 6024432.64 | 38351434.60 | 28950810.78 | 36614403.43 | 38434882.44 | 7071520.62 | |
| C5 H7 N O6 | 13645211.50 | 23813500.59 | 2753346.82 | 30714067.60 | 23460297.52 | 27860150.60 | 29846903.84 | 7296972.66 | |
| C5 H8 N2 O | 35354510.40 | 40001694.31 | 43744791.89 | 40980252.85 | 33104369.84 | 38010300.32 | 34255495.89 | 7469907.42 | |
| C5 H8 N6 O4 | 18726643.30 | 24156001.78 | 26905173.47 | 21568431.54 | 20605901.41 | 14878038.94 | 25612555.55 | 197769.94 | |
| C6 H11 N3 O2 | 61215861.75 | 58354586.70 | 84605059.41 | 56023604.26 | 48916558.66 | 57159673.11 | 58626070.04 | 6978447.86 | |
| C6 H13 N3 O | 12102268.15 | 20068792.14 | 15541867.22 | 23166654.88 | 20927817.01 | 17281656.77 | 17250991.21 | 157691.35 | |
| C6 H4 N2 O | 67903953.18 | 57822181.99 | 29840693.61 | 39611511.77 | 53505943.01 | 19297835.22 | 48075714.02 | 13388634.20 | |
| C6 H4 N2 O (2) | 6416070.17 | 11027976.97 | 355997.23 | 13627303.66 | 12389663.86 | 9944480.40 | 15510034.83 | 2005433.73 | |
| C6 H6 N2 O4 | 31430811.22 | 51109818.90 | 877075.42 | 65495605.05 | 53039028.29 | 59586239.35 | 72993451.04 | 12947469.53 | |
| C6 H6 N2 O4 (2) | 3912618.11 | 11760278.21 | 312005.95 | 17845549.21 | 12273369.59 | 15940901.50 | 26197170.72 | 2767337.78 | |
| C6 H9 N10 O3 P | 7716691.16 | 8750406.46 | 7434327.02 | 7967750.87 | 8584985.13 | 7613431.39 | 7999958.45 | 1740344.71 | |
| C6 H9 N3 | 91447955.21 | 118874110.40 | 118534146.70 | 124251607.70 | 127885091.70 | 106349516.00 | 109601963.30 | 27344602.52 | |
| C6 H9 N O10 | 16819995.46 | 14206985.06 | 17440426.86 | 25529239.72 | 22003326.54 | 12103820.84 | 24370703.31 | 98814.63 | |
| C6 H O4 P3 S | 5200469.56 | 5661544.46 | 7225625.79 | 4985764.88 | 6066094.40 | 4888859.08 | 4760706.56 | 134391.78 | |
| C7 H11 N O6 | 29807877.94 | 42615507.25 | 4278003.91 | 48568581.89 | 53448975.06 | 41394970.76 | 47164660.20 | 12196352.33 | |
| C7 H11 N O6 S | 2588718.02 | 2678051.10 | 3111077.56 | 3007051.26 | 2458999.98 | 2582789.37 | 2444481.11 | 100567.82 | |
| C7 H15 N O6 S2 | 4010919.94 | 3348147.52 | 4226382.90 | 6152019.41 | 5360831.60 | 2424075.42 | 5831916.21 | 87564.02 | |
| C7 H18 N5 O5 P | 1203368.95 | 1395721.59 | 219258.72 | 1247258.26 | 1247164.32 | 1206350.96 | 1259107.06 | 80136.27 | |
| C7 H19 N8 O8 P | 8365830.40 | 7962226.17 | 6545037.61 | 8662775.03 | 7745529.14 | 8664213.95 | 8702321.85 | 146254.31 | |
| C7 H20 N2 O6 P2 S | 1434724.31 | 1691159.15 | 2388031.81 | 1516541.55 | 1960692.52 | 1281814.90 | 1459682.65 | 393646.76 | |
| C7 H4 N3 O8 P | 1734767.44 | 1831214.74 | 2642285.54 | 2202130.05 | 1701958.62 | 1823368.87 | 1756666.06 | 87341.79 | |
| C7 H8 N2 O4 | 221335838.20 | 361532532.30 | 5971003.06 | 449625021.00 | 376681160.60 | 413160046.00 | 515595339.70 | 84999899.17 | |
| C7 H8 N2 O4 (2) | 22688245.84 | 38357594.43 | 5564121.73 | 43119485.84 | 27797719.47 | 41790085.76 | 49219779.61 | 18376165.09 | |
| C8 H10 N10 O6 S2 | 462545.23 | 376680.27 | 728406.55 | 1076713.71 | 654964.04 | 123377.35 | 901812.56 | 52658.31 | |
| C8 H10 N2 O3 | 182705233.60 | 317775980.10 | 42481233.66 | 429670526.10 | 355112908.00 | 397866570.50 | 558762055.70 | 98882543.04 | |
| C8 H11 N O6 S | 11757176.49 | 11086269.10 | 10390151.47 | 12818625.04 | 10805816.27 | 10710319.98 | 13322996.39 | 112709.70 | |
| C8 H12 N2 O7 | 25396902.39 | 33087510.27 | 7078031.92 | 52195980.93 | 47255293.09 | 45763322.45 | 58215862.24 | 10549696.21 | |
| C8 H12 O4 | 11062087.28 | 11482956.49 | 2895549.81 | 5344427.25 | 1967552.06 | 3269645.05 | 5215490.91 | 953436.13 | |
| C8 H14 N2 O6 | 16070432.90 | 18400790.54 | 23092037.08 | 13761182.15 | 17593314.64 | 16526387.78 | 16991292.00 | 3606868.22 | |
| C8 H15 N3 | 44787002.52 | 45949829.70 | 17006098.99 | 46220566.30 | 44585048.41 | 37623651.21 | 31715829.66 | 1773351.20 | |
| C8 H15 N3 O3 | 451282432.10 | 748589389.90 | 11689066.90 | 923231992.20 | 809554812.40 | 953299742.60 | 1154987447.00 | 305678695.25 | |
| C8 H16 N9 O2 P | 6228982.37 | 10380339.86 | 9966578.68 | 10942693.95 | 7516280.23 | 9604542.15 | 10385058.36 | 334770.68 | |
| C8 H17 N3 O3 | 20360071.81 | 21392335.85 | 29555447.98 | 20231071.70 | 21350136.39 | 18048621.56 | 21073369.20 | 323324.09 | |
| C8 H18 N2 O2 | 336638913.40 | 315109364.80 | 348114996.00 | 318930149.30 | 318705568.80 | 317396437.00 | 335551522.20 | 130385.26 | |
| C8 H18 N2 O3 | 132327436.80 | 135275581.70 | 179269154.80 | 126126684.50 | 129470394.50 | 139555954.30 | 138180118.20 | 113718.95 | |
| C8 H20 N2 O3 | 8444932.90 | 12962122.04 | 21138517.43 | 12286878.61 | 13076469.93 | 10180798.53 | 10874148.34 | 111030.95 | |
| C8 H24 Br N9 O2 | 2696567.83 | 4419326.47 | 536505.46 | 5079623.33 | 5165768.45 | 4031910.81 | 5172153.53 | 892387.13 | |
| C8 H6 | 34468417.46 | 40916183.45 | 59189686.91 | 38562718.01 | 35760982.65 | 33749406.67 | 41146621.03 | 432774.07 | |
| C8 H8 N2 O4 | 14884709.17 | 48265048.28 | 554806.05 | 40483100.88 | 32307979.37 | 34713255.82 | 52495612.77 | 5742996.83 | |
| C8 H9 N | 944149012.30 | 1094255004.00 | 1526307416.00 | 1037702578.00 | 948044375.00 | 940368354.80 | 1110904695.00 | 1579579.95 | |
| C9 H11 Cl N5 O3 P | 1144025.83 | 1819054.60 | 379080.87 | 5270540.46 | 3274492.84 | 3958920.37 | 2804638.46 | 392167.03 | |
| C9 H11 N7 O S2 | 6336704.25 | 7832188.97 | 9432539.67 | 6066293.11 | 6962668.70 | 6579130.67 | 4522648.63 | 256130.34 | |
| C9 H14 N2 O2 | 6435225.22 | 7798077.80 | 278971.34 | 11591132.73 | 11105708.74 | 6248675.42 | 17929081.20 | 893075.27 | |
| C9 H14 N2 O5 | 20811110.28 | 22016270.42 | 16916612.21 | 26842683.17 | 21247267.13 | 26639735.68 | 24969814.52 | 3886322.62 | |
| C9 H15 N3 O4 | 31366441.21 | 63374613.93 | 2341742.24 | 66011629.14 | 56297218.66 | 74422555.71 | 76020337.67 | 27249169.09 | |
| C9 H16 N2 O | 86970169.31 | 80738121.45 | 9023301.93 | 87527470.03 | 82447253.43 | 50833227.57 | 107757916.10 | 5988215.27 | |
| C9 H16 N2 O6 | 101130616.10 | 91134658.92 | 28225630.19 | 99592997.01 | 95606994.39 | 120830491.50 | 127591110.40 | 21114691.99 | |
| C9 H16 N2 O6 (2) | 25628497.96 | 43454643.94 | 5945353.72 | 66713706.53 | 42705197.68 | 60219291.85 | 75082208.64 | 13421168.40 | |
| C9 H18 N4 O3 | 4052720.90 | 33674612.02 | 1531581.99 | 56220170.63 | 11627406.30 | 46472491.88 | 24637579.62 | 272161.73 | |
| C9 H20 N2 O4 | 8453106.71 | 8609742.89 | 12731386.24 | 9051709.22 | 9034327.54 | 8094422.78 | 8378540.82 | 114181.70 | |
| C9 H25 N10 O5 P3 S | 5506006.90 | 6423372.92 | 8676135.73 | 8066635.43 | 7568647.10 | 7658011.74 | 7740928.72 | 237969.02 | |
| carnitine | 3607812586.00 | 4126159509.00 | 8618160507.00 | 4447086418.00 | 4114415769.00 | 3310720053.00 | 3898032927.00 | 7996373.57 | |
| carnosine | 9704955.30 | 8331545.85 | 6865081.84 | 3255897.66 | 9162608.65 | 8443865.48 | 1978941.14 | 1053560.42 | |
| Ceramide (d18:1/16:0) | 2728390.46 | 3574061.95 | 2378710.26 | 3336874.08 | 2476361.02 | 2140231.63 | 1653678.70 | 60899.26 | |
| C H3 O2 P S2 | 7709752.03 | 8032413.46 | 9761819.58 | 6775900.79 | 8741373.13 | 7177468.88 | 7042015.11 | 1752362.90 | |
| Choline | 1970379445.00 | 2775555957.00 | 2769879278.00 | 3311917550.00 | 2684245396.00 | 2805514996.00 | 2854010312.00 | 4610565.84 | |
| citrulline | 384566464.20 | 418357716.10 | 505861792.60 | 404339071.00 | 352832700.00 | 396479638.40 | 351330852.00 | 15818388.59 | |
| Clavamycin E | 77066370.12 | 134314194.40 | 1028220.32 | 186976008.30 | 131631066.20 | 171869903.10 | 223712802.90 | 29027371.11 | |
| coformycin | 8074121.30 | 10347927.10 | 11306948.37 | 7465110.61 | 9404270.64 | 7761171.50 | 9095688.63 | 163128.71 | |
| Corticosterone | 3874070.64 | 3606680.85 | 469452.01 | 3024368.22 | 1907715.23 | 3353091.66 | 2472571.87 | 276358.70 | |
| Coumarin | 26036425.86 | 27731639.51 | 42825142.92 | 26684191.55 | 24434659.00 | 22897429.98 | 27619214.88 | 311268.38 | |
| Coumarone | 28612920.83 | 28710091.28 | 45270809.64 | 27963409.47 | 26080164.67 | 25419352.77 | 32378490.76 | 319480.09 | |
| creatine | 13437228759.00 | 15866989763.00 | 16754040159.00 | 15992375826.00 | 13763865707.00 | 14184712107.00 | 13589786059.00 | 13001509.45 | |
| creatinine | 577798103.60 | 616507249.00 | 534817818.60 | 632420523.70 | 546963378.30 | 557780062.90 | 653965016.20 | 1810117.03 | |
| Creatinine degenerate | 108257998.70 | 124538355.80 | 134319216.00 | 127738375.70 | 111171751.70 | 108561236.30 | 108182962.50 | 286247.65 | |
| Cysteine-glutathione disulfide | 10413572.26 | 11085559.99 | 11819574.91 | 10883410.54 | 12216483.63 | 10820904.95 | 10011803.08 | 124420.59 | |
| cystine | 9359841.21 | 10674720.14 | 14027418.89 | 9864961.85 | 7661486.08 | 7663000.72 | 7998672.84 | 124645.10 | |
| cytidine | 187601179.50 | 257603693.20 | 168163636.40 | 344349892.60 | 264479434.30 | 331837127.20 | 321298451.60 | 1808265.03 | |
| cytosine | 392323255.20 | 527342787.90 | 352871190.80 | 696690675.00 | 539051086.80 | 654828366.30 | 641649849.70 | 1329709.49 | |
| CYTOSINE degenerate | 236182729.20 | 229976072.90 | 229411200.10 | 236971530.30 | 230113028.40 | 249165847.90 | 233537932.20 | 420294.74 | |
| Cytosine degenerate (2) | 44126714.98 | 49172139.07 | 46413487.14 | 52819080.77 | 47559601.95 | 47036764.54 | 49133348.58 | 871614.15 | |
| dCytidine | 43187523.33 | 44425124.67 | 36124007.37 | 50338395.11 | 44397995.21 | 47482663.62 | 48671137.72 | 1687661.85 | |
| Dehydrocycloguanandin | 10127607.14 | 12043857.95 | 17360044.36 | 7358433.14 | 8598250.54 | 6215349.61 | 9242275.23 | 255100.17 | |
| Dehydroglycine | 12504118.78 | 23460411.13 | 14458774.29 | 12233401.12 | 12208002.08 | 14406802.51 | 13191372.87 | 245535.58 | |
| delta-guanidinovaleric acid | 34461786.11 | 47619505.27 | 31034978.60 | 79148400.99 | 50204703.25 | 50839448.33 | 51243822.40 | 369239.40 | |
| DEOXYCARNITINE | 21819481.58 | 32138973.29 | 35694801.30 | 33336339.02 | 31503819.57 | 28842248.97 | 29186174.26 | 340418.62 | |
| dimethylformamide | 126644792.40 | 131581729.70 | 120954311.20 | 129178707.70 | 133961256.30 | 119170314.50 | 118396202.40 | 2945562.34 | |
| dimethylglicine | 83130845.37 | 79372076.27 | 122297582.10 | 75582425.42 | 90961903.92 | 70605078.72 | 85995949.20 | 25555132.65 | |
| "DL-2,6-Diaminopimelic acid" | 49696391.64 | 48966499.37 | 45645468.46 | 49638586.65 | 42488718.32 | 57871865.46 | 46932489.58 | 2112589.74 | |
| DL-Lysine | 4414459.07 | 4029544.29 | 5242667.70 | 3519585.17 | 4341795.78 | 4131581.06 | 4343265.16 | 102306.07 | |
| DL-Stachydrine | 2365246939.00 | 2678841820.00 | 2293035934.00 | 2221180707.00 | 2713991245.00 | 1863616174.00 | 2902549141.00 | 3098455.54 | |
| D-(+)-Pipecolinic acid | 18468338.44 | 17960263.90 | 19121749.11 | 17976979.52 | 18431595.38 | 18032281.44 | 19047582.43 | 1784456.60 | |
| D-(+)-Pipecolinic acid (tail) | 32585803.61 | 30604026.65 | 30441229.62 | 30548060.01 | 32710492.72 | 34428699.70 | 33549210.09 | 1331773.24 | |
| D-(+)-Proline | 103323309.10 | 94069429.07 | 141935245.20 | 84693003.34 | 79786303.85 | 87454618.47 | 80224513.98 | 10417921.47 | |
| D-(+)-Pyroglutamic Acid | 5840399789.00 | 6032962870.00 | 5945973104.00 | 5749815136.00 | 5989542884.00 | 6481121651.00 | 5920929929.00 | 14651722.64 | |
| epsilon-(gamma-Glutamyl)-lysine | 54030042.29 | 48816769.59 | 67898938.87 | 44689100.38 | 53293267.23 | 52564868.67 | 53543217.95 | 96542.25 | |
| epsilon-(gamma-Glutamyl)-lysine (2) | 46947062.53 | 36932169.78 | 57170943.87 | 34002543.59 | 40315074.04 | 43867618.20 | 42501390.01 | 130053.85 | |
| Erucamide | 32635790.01 | 36431551.24 | 306062545.30 | 89080598.15 | 32437751.09 | 103174401.00 | 31483506.33 | 2150352.95 | |
| fagomine | 24604289.56 | 25302770.03 | 31387072.71 | 27272497.51 | 27535145.24 | 26543265.58 | 22877622.96 | 2189951.05 | |
| Formiminoglutamic Acid | 30795387.32 | 25760101.13 | 25457771.01 | 32341873.04 | 20188336.20 | 17708513.62 | 32492548.00 | 4462279.31 | |
| Fructoselysine | 11205428.46 | 12804128.37 | 14867544.53 | 11073744.40 | 9798887.03 | 8600811.28 | 12000409.51 | 134598.04 | |
| fructosylglycine | 2247453.23 | 2194485.55 | 2748685.80 | 2943426.94 | 2604346.48 | 1761412.83 | 2591308.80 | 90360.58 | |
| gamma-Glu-gln | 120650430.20 | 119322106.00 | 182173096.70 | 96011905.79 | 131248365.80 | 127293415.10 | 116462359.20 | 1008483.87 | |
| gamma-glutamyltyramine | 5925571.65 | 10087844.81 | 5155714.58 | 8600142.49 | 7084515.05 | 7632530.57 | 9607148.89 | 219299.87 | |
| glutamine | 5672119562.00 | 5824680898.00 | 5740977597.00 | 5572947182.00 | 5760371052.00 | 6251717785.00 | 5643320818.00 | 10880664.00 | |
| Glycerophosphocholine | 338628227.70 | 361104339.00 | 513962478.50 | 469658664.10 | 420624129.70 | 363281437.50 | 379414673.20 | 2993215.21 | |
| GNK | 5056959.44 | 8186160.03 | 8169228.08 | 9380518.56 | 8654241.57 | 7273162.34 | 7983047.76 | 146587.53 | |
| Golotimod | 8815060.96 | 10342403.24 | 14170378.86 | 9944084.88 | 10056426.43 | 8084221.63 | 9467364.64 | 233780.29 | |
| GSH | 4652866.14 | 3934049.79 | 446542.32 | 1028279.17 | 2054012.96 | 466150.44 | 7699718.98 | 291184.58 | |
| GSSG | 2303973.87 | 1936356.20 | 1406751.21 | 2363850.61 | 4708940.17 | 1979467.74 | 1240674.64 | 85595.30 | |
| guanine | 63979732.26 | 68229930.97 | 62459896.75 | 98641034.26 | 80059773.65 | 84342265.70 | 100758746.30 | 264822.48 | |
| HC blue 2 | 58876126.74 | 64034485.09 | 44174894.22 | 58355142.98 | 63690445.02 | 54599429.81 | 67597909.81 | 335395.31 | |
| hercynine | 147733005.60 | 161601087.60 | 61783657.60 | 152720572.40 | 146453536.00 | 132414475.90 | 104435499.30 | 697563.98 | |
| hercynine (2) | 56372844.69 | 58838967.49 | 10344685.02 | 78165323.07 | 85642074.26 | 48871115.50 | 60643681.10 | 1549159.70 | |
| Heterodendrin | 15401645.80 | 14877461.11 | 13985283.08 | 16347657.54 | 12915671.17 | 17001005.61 | 13403024.93 | 277270.74 | |
| Hexadecanamide | 146414905.20 | 297748490.00 | 94837444.69 | 18408203.66 | 92510686.03 | 187570265.70 | 22102007.03 | 901122.17 | |
| histidine | 1009395636.00 | 1181104183.00 | 1730569990.00 | 868911040.00 | 1216070743.00 | 1095670919.00 | 1181523858.00 | 37750008.78 | |
| histidine (tail) | 435583530.40 | 543782360.00 | 374966898.60 | 225074565.80 | 497724832.60 | 261637534.50 | 518659999.80 | 15415622.75 | |
| homocitrulline | 44779765.56 | 60969950.06 | 75455316.43 | 63531444.77 | 55241148.95 | 53612337.09 | 127357864.00 | 595771.66 | |
| Homo-L-arginine | 594602002.40 | 950803233.50 | 734409403.50 | 1063906933.00 | 965086278.60 | 839286138.60 | 799518127.00 | 161561.33 | |
| hypoxanthine | 955002119.10 | 1280906510.00 | 969144632.70 | 1777671480.00 | 1376521707.00 | 1649001019.00 | 1658241720.00 | 1027901.20 | |
| Imidazoleacetic acid riboside | 37516213.00 | 36273538.48 | 20306086.86 | 28043488.51 | 30356331.58 | 52765984.10 | 38222547.23 | 9106175.90 | |
| inosine | 20382097.79 | 31435606.76 | 19473923.64 | 34866892.92 | 28230980.31 | 36656521.12 | 28315202.93 | 350760.82 | |
| kynurenine | 17745644.43 | 26772182.87 | 22481049.52 | 28656442.86 | 28739729.56 | 32102739.22 | 26907570.04 | 607453.14 | |
| L-Alanyl-3-{[(2E)-4-amino-4-oxo-2-butenoyl]amino}-L-alanine | 8001171.56 | 13406122.18 | 709738.99 | 17557647.03 | 11879719.93 | 16344386.21 | 19299081.67 | 5982207.15 | |
| L-Alanyl-L-glutamine | 11471402.60 | 20950490.16 | 946778.03 | 45287268.98 | 31896483.95 | 35879539.23 | 58482656.15 | 5037554.59 | |
| L-allysine | 76752459.48 | 70551764.75 | 54851513.43 | 71086954.15 | 65845157.44 | 69371645.04 | 75638605.03 | 3323268.46 | |
| L-dihydroanticapsin | 199504426.30 | 141990261.80 | 298546847.30 | 154869677.30 | 157882334.90 | 116148025.10 | 167018605.60 | 1674443.68 | |
| lentiginosine | 1230480815.00 | 1102499840.00 | 883394731.90 | 1095689154.00 | 1181171710.00 | 771271729.20 | 1218080954.00 | 3402477.17 | |
| leucine | 676572786.70 | 673978614.30 | 714178488.30 | 541854419.60 | 478290706.70 | 708668659.60 | 529514016.00 | 13119534.71 | |
| L-Lysine lactam | 34357647.31 | 38634757.04 | 48028917.83 | 29037081.53 | 39154428.84 | 35252736.42 | 36420842.82 | 5643248.88 | |
| L(-)-Pipecolinic acid | 700927280.70 | 775691534.90 | 1024299323.00 | 655300013.60 | 799243314.70 | 722324835.70 | 731018209.80 | 6178442.04 | |
| L-Prolinamide | 32488342.34 | 31199532.98 | 44944588.71 | 26672350.24 | 26728816.05 | 28425818.50 | 25399614.78 | 3391936.81 | |
| L-Proline | 37512501.22 | 36111724.45 | 51480620.43 | 32721040.34 | 29992748.56 | 33721171.36 | 33726167.64 | 8511039.53 | |
| lysine | 896870498.70 | 1038998401.00 | 1302707766.00 | 841404111.40 | 1046475447.00 | 952113528.00 | 955063871.30 | 1357317.92 | |
| meprobamate | 5325220.45 | 5035481.25 | 4702339.13 | 4364237.46 | 4893040.66 | 4888409.46 | 4591068.98 | 397070.62 | |
| methionine | 370036882.00 | 805412621.90 | 718314160.50 | 349090889.30 | 336490703.10 | 427394498.50 | 392701492.60 | 590408.77 | |
| Methionine sulfoxide | 760094013.90 | 1380645400.00 | 842078722.70 | 692762762.60 | 696862953.60 | 839635257.40 | 740797840.50 | 844659.69 | |
| MFCD00036904 | 174249902.80 | 206995413.90 | 107552576.90 | 380383898.10 | 314764865.80 | 233102577.80 | 107281466.60 | 151718.79 | |
| MFCD00127891 | 66905150.10 | 65483293.63 | 64225691.80 | 75273162.79 | 72525934.75 | 74089510.42 | 70976249.21 | 509922.52 | |
| MFCD00135289 | 149689622.60 | 185681603.00 | 106650429.30 | 234638296.30 | 264368813.40 | 187377525.60 | 83716813.49 | 95010.20 | |
| Muscimol | 23688236.32 | 19166788.22 | 22128823.24 | 36485504.27 | 20264975.90 | 25998886.59 | 30326394.30 | 273817.00 | |
| N~2~-(1-Carboxyethyl)-N~5~-(diaminomethylene)ornithine | 4894187.95 | 5327535.95 | 3404633.55 | 4284901.33 | 4315158.66 | 5435942.31 | 4845926.81 | 96223.11 | |
| N~2~-Acetyl-L-ornithine | 307339051.80 | 373164339.50 | 391028008.00 | 304954397.30 | 263083263.80 | 249919820.50 | 385231850.70 | 431942.37 | |
| "N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid" | 21287644.97 | 13839053.06 | 1348063.65 | 19104753.89 | 14303078.02 | 18866424.08 | 32362002.04 | 5921446.25 | |
| "N,4-Dinitroso-N-methylaniline" | 6113506.57 | 8138299.45 | 225417.22 | 9523260.21 | 6985133.62 | 9925641.98 | 10479079.53 | 2147801.85 | |
| N6-METHYLLYSINE | 278520192.40 | 327720310.00 | 350317264.50 | 253192450.30 | 273698774.90 | 295083809.10 | 302486264.20 | 122189.86 | |
| N8-Acetylspermidine (tail) | 9744071.33 | 9892741.77 | 6224061.97 | 10375925.65 | 9747733.91 | 10471188.98 | 12096576.44 | 282119.43 | |
| N-Acetyl-1-aspartylglutamic acid | 75035575.40 | 71758275.48 | 43618962.57 | 70519355.05 | 67293771.82 | 89446116.90 | 72241876.92 | 7576375.62 | |
| N-acetyllysine | 44327097.91 | 50640910.28 | 70688292.50 | 51755530.86 | 49798963.95 | 43457351.16 | 46406437.15 | 4686181.38 | |
| N-ACETYLPUTRESCINE | 37725857.11 | 40330484.43 | 53040465.79 | 42920521.10 | 46416992.69 | 30041780.41 | 43334711.66 | 12337761.14 | |
| N-Benzylformamide | 95722681.30 | 94003476.11 | 148031749.70 | 89178359.24 | 89072508.47 | 82861954.53 | 105604506.90 | 409649.69 | |
| niacinamide | 193958578.40 | 213888938.60 | 170695082.60 | 213509782.00 | 222581991.80 | 326634404.10 | 263401004.20 | 21472606.45 | |
| Nitrosoguvacoline | 31426444.04 | 32659751.67 | 31653778.20 | 32813408.63 | 30205917.68 | 34581420.33 | 32821292.58 | 5024628.64 | |
| "N,N-DIMETHYLARGININE" | 252834579.00 | 308392727.00 | 436058398.60 | 289562000.10 | 343091630.40 | 301345078.50 | 283630654.50 | 169021.71 | |
| "N,N-dimethylarginine (2)" | 23553914.39 | 32754399.42 | 39736066.07 | 32790639.77 | 29302836.55 | 33464028.25 | 30058041.08 | 137222.33 | |
| N-NITROSOMETHYLVINYLAMINE | 19286739.14 | 23144670.18 | 34743918.47 | 18900484.58 | 21146606.58 | 18220339.97 | 22436582.99 | 245195.47 | |
| "N,N,N-TRIMETHYLLYSINE" | 912162444.30 | 854648772.30 | 781493377.90 | 881916245.20 | 838555204.90 | 938657809.70 | 902088924.70 | 118950.15 | |
| N-oleoylsphingosine-1-phosphocholine | 4517298.47 | 8137776.79 | 3472393.48 | 10177019.74 | 11656090.15 | 5780344.76 | 2961641.25 | 104975.04 | |
| "Norspermidine-2,3-dihydroxybenzoate" | 1834663.33 | 2729718.83 | 986501.83 | 3813566.20 | 2807752.07 | 3855923.72 | 5262918.43 | 122869.60 | |
| NORURON | 4843645.24 | 7610650.41 | 292844.30 | 7259104.96 | 6856178.35 | 6110258.32 | 6086453.67 | 1274968.54 | |
| NP-001346 | 7324926.11 | 8547842.09 | 4524811.23 | 7567727.24 | 8101519.60 | 7801947.36 | 6843942.09 | 221680.43 | |
| NPYR | 128741274.30 | 131922384.40 | 132609524.30 | 127215929.10 | 133378458.50 | 144025141.10 | 131980247.10 | 500951.79 | |
| Nudifloramide | 41648358.81 | 34403166.23 | 50467624.54 | 61565772.88 | 65071206.56 | 83294523.88 | 58880630.99 | 14170183.81 | |
| ornithine | 88015739.17 | 85830221.06 | 133334082.70 | 77146084.48 | 73631333.84 | 79354028.12 | 74916668.53 | 6891271.94 | |
| Orotic acid | 5146961.82 | 8642127.74 | 277191.47 | 9496343.53 | 8721938.92 | 9535299.76 | 11173632.21 | 2388953.05 | |
| OXOPROLINE/PYROGLUTAMATE | 23801791.21 | 23112443.59 | 22740236.42 | 28048995.36 | 27576729.92 | 24458008.85 | 23292538.57 | 3226258.91 | |
| Oxynicotinamide | 76337868.70 | 110065997.00 | 9036065.01 | 123284603.30 | 118974801.00 | 110975517.90 | 137398301.70 | 33140469.21 | |
| Oxynicotinamide (tail) | 36565372.79 | 35235777.54 | 14803856.85 | 26069506.53 | 34125049.38 | 16327644.16 | 31613798.23 | 13819463.27 | |
| Palmitoyl sphingomyelin | 120762223.70 | 152908726.70 | 87174101.01 | 200580734.30 | 162370316.00 | 130303240.00 | 77120010.34 | 140613.21 | |
| Palustrine | 81609350.89 | 61188836.39 | 5951653.15 | 72731022.31 | 48343125.83 | 76262696.29 | 46142097.66 | 12275994.96 | |
| p-aminobenzoate | 446625879.50 | 613376669.50 | 587695172.40 | 465334996.70 | 564131225.90 | 454471045.00 | 536075640.90 | 3537959.42 | |
| PANTOTHENATE | 4612015250.00 | 3356108506.00 | 6992627581.00 | 3633863877.00 | 3635565728.00 | 2604948643.00 | 3866638951.00 | 1099316.19 | |
| PC | 241733849.60 | 287375373.60 | 201818461.10 | 592954140.10 | 489017416.90 | 285088449.70 | 140943389.50 | 106789.04 | |
| pentobarbital | 16056636.38 | 16571582.83 | 10377471.95 | 15526450.82 | 17466673.12 | 11789177.79 | 10590150.31 | 1059667.32 | |
| Pergolide | 1196936.50 | 939947.86 | 1796792.97 | 1155386.09 | 1882909.82 | 945430.75 | 1644917.20 | 89422.07 | |
| phenylalanine | 815434701.40 | 958209396.60 | 1323089744.00 | 886931472.30 | 785507758.40 | 812102566.20 | 939294926.40 | 2008218.95 | |
| phosphocholine | 277037951.10 | 296960317.70 | 295489869.90 | 291552024.30 | 388654735.10 | 313651944.30 | 285275287.80 | 368539.70 | |
| Pipecolate | 118992042.10 | 184028219.10 | 147889077.60 | 157342089.30 | 126583513.80 | 125129439.20 | 106284746.40 | 1519259.46 | |
| Piperidine | 191363437.90 | 297384409.30 | 308746554.90 | 221608638.40 | 344766535.80 | 177319951.20 | 228513694.30 | 1317760.31 | |
| Piracetam | 135102170.30 | 180283411.30 | 139111628.70 | 136740039.20 | 143628560.30 | 134570018.00 | 193983066.00 | 8377979.90 | |
| Pirbuterol | 46154369.93 | 54114113.28 | 37197895.26 | 54825727.27 | 45364866.71 | 56605373.93 | 52666595.16 | 8373818.42 | |
| Pregabalin | 472478026.00 | 379125714.10 | 836476648.50 | 495020147.90 | 330973465.20 | 316004152.90 | 368879869.80 | 366232.66 | |
| Pro-Hyp | 132210509.20 | 125163725.80 | 107951888.60 | 130012917.00 | 164424014.00 | 153881239.00 | 126084762.90 | 723760.31 | |
| proline | 1082006422.00 | 1656277606.00 | 2111542674.00 | 1323056519.00 | 1291728804.00 | 1158677798.00 | 1258164047.00 | 9611196.26 | |
| Prolylglycine | 45840358.58 | 58356450.25 | 60924254.51 | 66472927.75 | 63471693.90 | 47472997.96 | 58520591.28 | 4286849.56 | |
| Prolylleucine | 31591632.66 | 34506567.42 | 25093181.69 | 37432075.71 | 36273532.50 | 38475597.31 | 38433351.29 | 489021.43 | |
| propionylcarnitine | 64973348.68 | 59312481.41 | 154205666.20 | 67236532.70 | 42863022.51 | 33081386.92 | 53316800.79 | 656020.52 | |
| pseudouridine | 15866217.18 | 16370726.33 | 10369901.48 | 18586954.70 | 16362492.45 | 18447226.95 | 17243499.90 | 4441907.47 | |
| Pyridoxal | 108773878.40 | 81128377.05 | 182482239.00 | 102040466.90 | 103775247.30 | 82414389.09 | 86556747.10 | 12022980.78 | |
| PYRIDOXAMINE | 4939929.88 | 5209853.50 | 2552442.70 | 7663484.63 | 6454125.25 | 5011675.31 | 9048434.00 | 1718036.89 | |
| Ricinine | 7686249.24 | 13094271.76 | 1721654.75 | 20094594.21 | 15460483.13 | 16517547.04 | 23860642.30 | 3866530.29 | |
| (S)-ACPA (tail) | 42924853.21 | 62329043.50 | 12456830.29 | 73619498.43 | 66551210.63 | 68892481.75 | 93372567.47 | 25979214.54 | |
| (S)-ACPA (tail) (2) | 22054133.56 | 44686851.95 | 4840626.28 | 72287446.99 | 55109722.45 | 48564938.17 | 71650431.99 | 19080274.17 | |
| S-Adenosyl-L-methionine | 163092495.90 | 180907156.20 | 115233587.60 | 163437710.90 | 170670826.50 | 171865340.40 | 148545967.80 | 254926.10 | |
| serine | 76984274.34 | 85992948.59 | 105073148.90 | 70045847.94 | 88600473.29 | 67062350.45 | 83347707.99 | 7995276.99 | |
| SJ6300000 | 32618388.49 | 55513829.79 | 11092566.50 | 100312809.90 | 78077140.00 | 82088573.08 | 137771704.50 | 17337316.87 | |
| ST2975000 | 81003925.28 | 71097862.85 | 56995589.79 | 87035579.66 | 71201640.52 | 83838969.72 | 123614881.90 | 1024407.06 | |
| Stearamide | 4223290.75 | 52130371.52 | 3544941.02 | 2711670.98 | 9323901.30 | 48955076.12 | 2034585.75 | 98122.82 | |
| streptidine | 17851773.51 | 25923741.99 | 32368526.15 | 25520189.48 | 19335057.45 | 19982309.15 | 18216765.72 | 173185.52 | |
| Succinyladenosine | 45073710.57 | 44489592.00 | 33642204.79 | 49165633.68 | 41504670.64 | 46828631.33 | 48424668.46 | 282718.90 | |
| taurine | 161349511.80 | 178961349.10 | 251844992.60 | 132867914.00 | 151751583.70 | 145070164.30 | 118798274.70 | 474099.42 | |
| Thiamine | 58472105.18 | 67081191.07 | 59219176.88 | 68915049.28 | 65374115.04 | 68164680.69 | 75479721.60 | 422732.31 | |
| threonine | 963785350.70 | 1008131906.00 | 883261731.90 | 983044603.30 | 999356528.10 | 894538126.00 | 923266261.20 | 55717246.41 | |
| THTC | 118777424.90 | 266672221.50 | 248927645.00 | 113989531.80 | 111901152.30 | 139534526.90 | 132560891.40 | 599094.32 | |
| Tilarginine | 106140607.50 | 128894747.80 | 154917546.70 | 112506909.30 | 122107910.90 | 128741655.00 | 118869181.10 | 145229.30 | |
| trans-3-Indoleacrylic acid | 364272564.40 | 460271020.40 | 404932189.70 | 440609081.80 | 384951067.60 | 371244111.80 | 384701971.20 | 550088.88 | |
| tyrosine | 269787492.90 | 282608651.80 | 429875241.90 | 272192492.00 | 245656359.10 | 247541709.90 | 290491984.10 | 979735.14 | |
| uracil | 17056950.21 | 26039359.21 | 13437456.81 | 40994199.90 | 30688764.29 | 37542283.10 | 39246969.58 | 2249078.21 | |
| UROCANATE | 169592295.50 | 88611451.56 | 103892907.10 | 151936172.50 | 198929058.90 | 53955278.24 | 79057032.91 | 28197183.15 | |
| valine | 724679576.70 | 680564904.30 | 950808436.60 | 778780772.40 | 677136231.50 | 714774501.80 | 707409463.70 | 134645253.93 | |
| Veronal | 491875441.90 | 641126391.40 | 21556735.13 | 714143714.10 | 670116606.50 | 636739496.90 | 766064276.40 | 156689219.09 | |
| vinylglycine | 202462108.30 | 325546283.10 | 220316716.40 | 191761314.50 | 313829140.40 | 292220569.30 | 299720550.70 | 52391647.12 | |
| Vorinostat | 5765968.05 | 8064091.58 | 207909.76 | 8682798.45 | 8723410.22 | 8379283.78 | 8383769.05 | 2087751.48 | |
| YV8195000 | 53910615.16 | 60552991.59 | 83454680.97 | 55568008.70 | 64004688.85 | 55447235.21 | 59347334.25 | 477251.34 |
Factors:
| F1 | Sample source:embryonic CSF | Mouse Type:CD1 317-1 (Wild Type Mouse) | Developmental Timepoint:E14.5 |
| F2 | Sample source:embryonic CSF | Mouse Type:CD1 317-2 (Wild Type Mouse) | Developmental Timepoint:E14.5 |
| F3 | Sample source:embryonic CSF | Mouse Type:CD1 317-3 (Wild Type Mouse) | Developmental Timepoint:E14.5 |
| F4 | Sample source:embryonic CSF | Mouse Type:CD1 317-4 (Wild Type Mouse) | Developmental Timepoint:E14.5 |
| F5 | Sample source:embryonic CSF | Mouse Type:CD1 317-5 (Wild Type Mouse) | Developmental Timepoint:E14.5 |
| F6 | Sample source:embryonic CSF | Mouse Type:CD1 317-6 (Wild Type Mouse) | Developmental Timepoint:E14.5 |
| F7 | Sample source:embryonic CSF | Mouse Type:CD1 317-7 (Wild Type Mouse) | Developmental Timepoint:E14.5 |
| F8 | Sample source:mock tube | Mouse Type:mock prep same as 1-7 | Developmental Timepoint:- |
