Data for ST003086
Metabolite structure | All data | F1 | F2 | F3 |
---|---|---|---|---|
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine | 77956760.05 | 71549322.56 | 1323052.56 | |
(.+/-.)-1-Amino-2-propanol | 788022620.80 | 516620880.00 | 1879156.13 | |
1-METHYLADENOSINE | 155440814.00 | 134782804.80 | 4302181.90 | |
1-Methylimidazoleacetic acid | 214953180.02 | 111421134.92 | 32009547.54 | |
1-METHYL-L-HISTIDINE | 1653488215.36 | 1566452100.00 | 27527292.68 | |
1-(sn-glycero-3-phospho)-1D-myo-inositol | 32185464.34 | 21482656.78 | 147581.16 | |
2-(2-Ethoxyethoxy)ethanol | 40638180.39 | 33122519.91 | 9278750.83 | |
240I539PWQ | 14923473.10 | 12592052.39 | 1840484.78 | |
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose (RT = ... | 417126269.60 | 290300266.57 | 1593522.45 | |
"2,4-Diamino-6-nitrotoluene" | 74276442.57 | 75391192.28 | 10705290.44 | |
"2,5-Furandicarboxylic acid" | 12501951.64 | 9523145.07 | 100022.83 | |
"2,6-Diamino-4-methyleneheptanedioic acid" | 3642077040.26 | 812769047.67 | 97868139.26 | |
"2,6-Diaminopimelic acid" | 304413638.84 | 255903094.53 | 246013.43 | |
2-Amino-4-methylpyrimidine | 783453281.62 | 806771821.57 | 24397605.92 | |
(2-butyl-1H-imidazol-4-yl)methanol | 538697084.74 | 171283278.91 | 126976944.82 | |
2^-deamino-2^-hydroxy-6^-dehydroparomamine | 17599110.72 | 12196459.22 | 283683.09 | |
2-formylphenylformamide | 262035240.53 | 359882577.53 | 1173387.20 | |
2-Hydroxycinnamic acid | 374184407.12 | 376324679.50 | 866103.77 | |
2-Methoxy-5-nitrophenol | 541326642.18 | 271031500.33 | 85532502.59 | |
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[10-(2-h... | 173548473.52 | 152224859.27 | 976744.79 | |
(2S)-2-Amino-8-hydroxyoctanoic acid | 41250200.31 | 34412729.03 | 371693.59 | |
"(2S,3Z,5S)-3-(2-Aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3... | 172684506.25 | 80056783.33 | 12740913.20 | |
"(2S,3Z,5S)-3-(2-Aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3... | 384042840.25 | 94164171.95 | 16094737.35 | |
"(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid" | 394731679.62 | 210283664.67 | 62699962.16 | |
3-Buten-1-amine | 682502539.46 | 604969899.07 | 22847320.88 | |
3-METHYL-L-HISTIDINE | 1374708417.74 | 1439683193.00 | 31677769.87 | |
3-ureidopropionate | 275258148.72 | 203261759.93 | 456902.93 | |
4-amino-2-hydroxyamino-6-nitrotoluene | 35115272.45 | 20030459.34 | 3949293.10 | |
4-guanidinobutanal | 120879702.22 | 103042491.98 | 7897810.67 | |
4-Hydroxybenzaldehyde | 116063361.10 | 121520001.97 | 396861.03 | |
4-IMIDAZOLEACETATE | 344908306.00 | 149538594.47 | 14073108.06 | |
"4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde... | 119259965.96 | 59507945.94 | 13027259.33 | |
4-Methyleneglutamine | 761634279.40 | 685757737.30 | 9303836.66 | |
4-(Methylthio)-2-oxobutyric acid | 614889271.52 | 734131872.33 | 1109233.21 | |
4-nitrophenyl-beta-D-galactoside | 91786450.24 | 86343279.34 | 456262.96 | |
4-O-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-beta-D-gluco... | 13235375.37 | 8756681.59 | 211446.03 | |
5-Acetamidopentanoic acid | 95878225.87 | 70546451.02 | 1992452.83 | |
5-Formyl-2-furoic acid | 156045200.38 | 119621704.80 | 34492426.02 | |
5-hydroxypipecolic acid | 42096216.46 | 32067957.72 | 7678617.92 | |
7-Methylguanosine | 153079042.88 | 148888184.83 | 1544097.46 | |
Aceglutamide | 83427829.56 | 56692051.88 | 776867.78 | |
Acetylarginine | 77312823.18 | 59307146.94 | 848987.55 | |
acetylcarnitine | 13393397765.40 | 10559544031.33 | 713622.05 | |
afegostat | 493992515.86 | 411343748.20 | 1909823.17 | |
ALA-GLU | 498380150.98 | 141897204.59 | 29967473.84 | |
ALA-GLU (2) | 55087488.77 | 35335775.33 | 2588497.84 | |
Ala-Leu | 198773235.22 | 130412917.50 | 406988.90 | |
Ala-Leu (2) | 93150514.66 | 94253638.42 | 498816.80 | |
alanine | 2667235200.00 | 2010683974.67 | 5684053.77 | |
alpha-Ketoglutaric acid degenerate | 374686256.99 | 320532931.10 | 20966155.47 | |
alpha-Ketoglutaric acid degenerate (2) | 26662427.37 | 21355547.89 | 258321.87 | |
AMPA | 477048160.64 | 87383648.44 | 7643072.46 | |
arginine | 14693950334.20 | 13685924037.00 | 47543875.02 | |
argininosuccinate | 243559740.74 | 217841774.43 | 272656.51 | |
ascorbate | 607463045.50 | 475614263.67 | 104689317.47 | |
asparagine | 387183074.50 | 417945857.90 | 1759870.05 | |
Aspartame | 143888922.92 | 115711167.47 | 277714.98 | |
b-Ala-Lys | 7762790.16 | 6701160.97 | 147581.22 | |
Benzoxazolone | 61678934.02 | 47005357.51 | 934894.81 | |
betaine | 91804201705.40 | 69234271012.67 | 245071379.50 | |
Butabarbital | 107023167.91 | 161219401.32 | 4065074.61 | |
Butyrylcarnitine | 1823301637.40 | 1342005965.67 | 2568068.67 | |
C10 H10 Cl N6 P3 S4 | 3455223.96 | 2602512.67 | 88633.06 | |
C10 H13 N O8 | 59424143.64 | 24224354.86 | 6080116.29 | |
C10 H15 N O8 | 100953544.64 | 42769936.34 | 11788692.52 | |
C10 H15 N O9 | 153119327.64 | 106691577.40 | 32175739.29 | |
C10 H17 N O3 S2 | 17083986.36 | 10611173.80 | 908558.56 | |
C10 H18 N2 O5 P2 S | 13890727.39 | 10017207.86 | 214515.37 | |
C10 H19 N3 O5 | 38380276.37 | 28484462.25 | 159954.38 | |
C10 H19 N O10 | 115157059.54 | 39726010.28 | 14607965.31 | |
C10 H22 N2 O6 S2 | 16055965.37 | 32504533.81 | 261288.06 | |
C10 H24 N4 O5 P2 | 392489803.70 | 204316749.27 | 68029637.76 | |
C10 H4 N4 O3 | 14663679.93 | 15829443.16 | 2247468.84 | |
C10 H7 N5 O3 | 64886674.55 | 33869160.59 | 12512260.08 | |
C11 H11 N7 | 38678264.36 | 17537664.23 | 1026848.93 | |
C11 H12 N6 O | 110378644.10 | 79665547.71 | 8376521.08 | |
C11 H14 O7 S | 23231657.01 | 18513350.12 | 2668735.01 | |
C11 H15 N O7 | 25391181.99 | 18576222.09 | 269504.12 | |
C11 H15 N O9 | 55059049.00 | 40394788.02 | 6781780.06 | |
C11 H17 N O10 | 313401685.13 | 307627982.83 | 75984379.13 | |
C11 H17 N O11 | 104950743.03 | 62915960.42 | 18741816.83 | |
C11 H19 N3 O7 S2 | 19978456.45 | 23026211.86 | 186391.75 | |
C11 H20 O P2 S2 | 52291961.54 | 37978053.16 | 14215872.49 | |
C11 H21 O10 P3 | 16369705.75 | 12797384.59 | 96348.52 | |
C11 H22 N4 O S4 | 31974996.80 | 38348711.69 | 414713.77 | |
C11 H29 Br N8 O6 | 31051597.15 | 34142977.10 | 1137346.71 | |
C11 H33 N8 O2 P S2 | 7290314.70 | 4279282.36 | 148796.59 | |
C11 H7 Cl N9 O P S3 | 3962037.15 | 3141183.41 | 81678.50 | |
C11 H9 N9 S5 | 9322617.34 | 7368580.06 | 100876.24 | |
C12 H11 N5 S4 | 5775342.15 | 4909700.51 | 84134.07 | |
C12 H16 N2 O9 | 143112956.12 | 132647075.33 | 2369138.49 | |
C12 H17 N O10 | 60668024.40 | 59001504.75 | 13769966.85 | |
C12 H18 N2 O8 | 109074164.73 | 62820524.96 | 23759107.43 | |
C12 H23 O7 P | 42186573.51 | 44664230.23 | 168033.11 | |
C12 H28 N4 O4 | 49737534.40 | 48664585.88 | 145782.19 | |
C12 H28 N8 O4 | 51313620.50 | 96303613.29 | 157274.51 | |
C12 H6 Cl N4 O2 P | 3525129.52 | 2299862.61 | 91103.86 | |
C13 H11 N5 O8 | 33003691.28 | 24033241.21 | 7443117.33 | |
C13 H15 N3 O8 | 19240314.13 | 23989076.53 | 342705.80 | |
C13 H16 N3 O P S | 63821146.44 | 39173654.60 | 8637283.66 | |
C13 H18 N6 O2 | 25217684.78 | 50579022.39 | 647061.30 | |
C13 H25 N O3 | 94329137.25 | 38277015.02 | 11263009.44 | |
C13 H27 N3 S2 | 29450956.57 | 21802505.81 | 234502.57 | |
C14 H14 Cl N3 O3 | 18827047.63 | 15444987.81 | 1798872.48 | |
C14 H35 N3 O4 P2 | 15585988.38 | 14852203.48 | 171323.96 | |
C14 H40 N10 O11 S | 17105358.92 | 14173558.74 | 288823.46 | |
C15 H11 Cl N6 O2 S | 25711953.23 | 20773361.14 | 4145876.36 | |
C15 H16 N3 O P S | 34393007.50 | 31372598.43 | 1364356.53 | |
C15 H16 N8 O S | 27325922.89 | 22364032.15 | 237590.02 | |
C15 H24 N2 O13 | 17166735.15 | 11244890.78 | 3241927.42 | |
C15 H30 Br O2 P | 20463413.00 | 14387818.73 | 5450852.08 | |
C16 H11 P S3 | 10627774.62 | 8289901.83 | 105531.01 | |
C16 H13 N2 O6 P | 61474832.68 | 43918392.08 | 9291234.67 | |
C16 H23 N9 O3 P2 S | 17862216.00 | 22061615.92 | 377522.47 | |
C17 H14 N8 O P2 S3 | 5993512.02 | 4913055.27 | 91519.63 | |
C18 H43 N8 O2 P | 20967342.92 | 9781409.37 | 1557252.06 | |
C20 H14 Cl N8 O2 P S5 | 1224517.91 | 1123810.99 | 96021.29 | |
C21 H25 N5 O P2 | 16721543.53 | 12715493.22 | 217359.63 | |
C21 H29 O9 P3 | 8317919.78 | 2924386.00 | 270012.64 | |
C22 H19 N O S | 27316424.03 | 19616940.20 | 570459.66 | |
C22 H21 N O S | 10879162.99 | 9964298.06 | 172020.00 | |
C22 H28 N3 O5 P3 | 15054934.55 | 14188087.41 | 2563122.49 | |
C22 H35 N5 | 20230156.45 | 13629885.08 | 1523912.61 | |
C22 H46 N O8 P | 16785198.51 | 17774337.90 | 593693.86 | |
C23 H45 N O7 | 31036788.94 | 11177644.22 | 1797829.54 | |
C24 H17 N5 O3 | 4109007.61 | 3839276.06 | 123394.06 | |
C24 H20 N4 O4 P2 | 19908712.37 | 18055499.63 | 3340149.75 | |
C28 H52 N3 P3 S5 | 7443707.16 | 9034517.57 | 1211993.20 | |
C2 H5 N6 O9 P3 S2 | 16696942.17 | 12863968.55 | 262874.03 | |
C35 H33 Cl N3 O P S | 8313270.75 | 10402576.91 | 2265749.02 | |
C39 H84 N7 O3 P3 | 6874049.81 | 6411306.97 | 715197.07 | |
C3 H10 Cl N10 O2 P | 14610378.37 | 13038933.61 | 196240.24 | |
C3 H2 N2 O3 P2 | 48629725.57 | 37751897.97 | 213224.98 | |
C3 H2 N2 O3 P2 S2 | 1218053.93 | 704730.95 | 66800.61 | |
C3 H4 N6 P2 | 50394284.45 | 6967024.56 | 5102394.22 | |
C3 H5 Br Cl N O4 | 960670504.54 | 16176505.23 | 5671450.31 | |
C3 H9 N10 O4 P | 19801427.58 | 17375092.30 | 3201594.52 | |
C41 H86 N7 O4 P3 | 63959044.05 | 60823660.35 | 721236.72 | |
C42 H84 N O7 P | 15512710.13 | 11984181.31 | 699171.64 | |
C43 H74 N5 O4 P | 11856176.48 | 10784876.36 | 651255.15 | |
C4 H10 N9 O2 P | 29462228.90 | 20058953.59 | 663480.32 | |
C4 H13 O P3 S | 8107700.52 | 5903459.20 | 110256.11 | |
C4 H2 N2 O | 168444487.05 | 53614928.11 | 5575371.58 | |
C4 H4 N2 O | 119151936.54 | 186098031.67 | 1577745.79 | |
C4 H6 N6 O4 | 153340967.18 | 311552499.73 | 155902.37 | |
C4 H6 N6 P2 | 55809874.72 | 8050557.86 | 5782732.51 | |
C4 H8 N4 O2 S | 14283812.09 | 10258071.05 | 152189.89 | |
C5 Carnitines | 773941662.06 | 545239174.13 | 17233832.75 | |
C5 H10 N8 O5 | 122228063.42 | 146997608.30 | 44700010.78 | |
C5 H16 N9 O4 P3 | 14557101.02 | 11140730.75 | 2083551.47 | |
C5 H18 N8 O8 P2 | 5125929.88 | 2830118.03 | 93339.77 | |
C5 H2 O3 | 13123331.04 | 11254659.45 | 95334.21 | |
C5 H4 O4 | 72216919.05 | 60560975.73 | 5285454.98 | |
C5 H4 O4 (2) | 72163890.53 | 55283890.02 | 15150562.77 | |
C5 H4 O4 (3) | 29994469.75 | 22390625.65 | 119944.24 | |
C5 H9 N O6 | 18079195.94 | 6245270.83 | 3025897.14 | |
C5 H9 N O8 | 7534353.76 | 5874976.94 | 128292.37 | |
C6 H10 N2 O | 2381941381.26 | 1042921088.13 | 216896028.88 | |
C6 H10 N6 O6 | 68611869.91 | 58386872.80 | 229337.35 | |
C6 H11 N4 O3 P S | 34023772.44 | 55328029.34 | 209042.86 | |
C6 H11 N O10 | 14939258.25 | 11214501.63 | 1333708.67 | |
C6 H11 N O7 | 268522910.84 | 203912416.10 | 1321999.93 | |
C6 H11 N O7 (2) | 101928166.02 | 68908745.19 | 16083781.70 | |
C6 H11 N O8 | 65836796.57 | 21833563.98 | 4678841.74 | |
C6 H13 N O8 | 132163492.72 | 37701991.27 | 12371055.44 | |
C6 H14 N9 O6 P | 8992503.00 | 5425040.56 | 1570069.44 | |
C6 H15 N O6 | 65515589.09 | 52392717.63 | 264706.25 | |
C6 H16 N9 O5 P | 21227377.12 | 16019545.45 | 252084.83 | |
C6 H19 N9 O3 P2 | 20309962.68 | 11502926.52 | 525017.96 | |
C6 H20 N7 O10 P3 | 27834065.37 | 24744279.43 | 184582.63 | |
C6 H21 Cl3 N10 O10 | 17808846.03 | 17288454.08 | 155307.47 | |
C6 H22 N6 O6 P2 | 7769736.99 | 8310802.41 | 241398.61 | |
C6 H2 O4 | 48793276.81 | 37322761.61 | 101148.88 | |
C6 H4 N10 O | 28336648.30 | 24183653.24 | 220669.51 | |
C6 H7 N O5 | 374954821.44 | 262249826.70 | 75176860.69 | |
C7 H11 N5 O2 | 133933295.36 | 354072453.60 | 127589.33 | |
C7 H11 N O6 | 141270064.29 | 75867428.19 | 20434750.49 | |
C7 H12 N2 O2 | 1429084373.00 | 492887700.84 | 174285598.16 | |
C7 H12 N2 O5 | 183322831.96 | 135758574.02 | 8226104.04 | |
C7 H14 N9 O8 P | 9339192.46 | 5001775.55 | 1432957.54 | |
C7 H15 N O2 P2 S2 | 11818039.18 | 9046656.38 | 118340.25 | |
C7 H16 Br N9 S | 47748638.15 | 38124075.68 | 181961.99 | |
C7 H16 N2 O4 P2 | 12704955.46 | 11096859.00 | 194061.00 | |
C7 H17 N O7 P2 | 5278330.38 | 4052321.59 | 596462.24 | |
C7 H20 Br Cl N10 S | 11561075.64 | 10491426.97 | 145729.91 | |
C7 H21 Br N8 O5 | 7126132.26 | 5479722.48 | 1199752.23 | |
C7 H3 N O3 | 13392078.64 | 14371632.52 | 152693.03 | |
C7 H8 N2 O P2 S | 17834701.22 | 14162045.86 | 166297.15 | |
C8-Carnitine | 31962554.86 | 21706575.63 | 3018149.42 | |
C8 H10 N2 O7 | 40591585.61 | 2326181.73 | 834341.35 | |
C8 H12 N2 O5 S | 23438571.89 | 24175727.76 | 180752.98 | |
C8 H12 N2 O7 | 6536067.41 | 5043172.93 | 121071.97 | |
C8 H14 N2 O3 | 45599561.87 | 27852604.84 | 4190408.57 | |
C8 H14 N2 O3 (2) | 38477064.94 | 29467139.98 | 3903186.25 | |
C8 H15 N O8 | 44223137.37 | 54104125.06 | 14053475.26 | |
C8 H16 N5 O8 P | 59893430.80 | 40279668.40 | 11255355.59 | |
C8 H17 Cl3 N2 O3 S | 16503541.88 | 16900380.54 | 2222016.33 | |
C8 H17 N3 O3 | 38256573.60 | 30738883.95 | 486228.44 | |
C8 H18 N2 O2 | 37221074.69 | 29269577.37 | 1981531.22 | |
C8 H18 N O6 P | 49533409.50 | 21466064.62 | 245325.46 | |
C8 H18 O5 | 1108019881.10 | 690413468.67 | 241429871.57 | |
C8 H20 N8 O3 P2 | 4595632.58 | 2098955.29 | 861893.08 | |
C8 H23 N4 O11 P | 7963285.01 | 7061799.56 | 78623.49 | |
C8 H28 N7 O P3 S | 9055282.97 | 8148509.89 | 195680.55 | |
C8 H6 N10 P2 S4 | 4837103.29 | 3812881.16 | 115116.66 | |
C8 H8 N3 O5 P | 36032423.67 | 27083568.27 | 131632.74 | |
C8 H8 N6 O | 34065159.98 | 15010418.30 | 3021430.31 | |
C9 H12 N2 O7 | 48717829.73 | 8700183.95 | 3694218.36 | |
C9 H14 N2 O5 | 199545010.04 | 137082315.23 | 7781985.29 | |
C9 H14 N2 O7 | 49455175.56 | 8952972.17 | 2172306.01 | |
C9 H14 N2 O7 (2) | 8779324.44 | 5738881.66 | 260044.81 | |
C9 H15 N3 O6 | 259094325.66 | 206776627.53 | 1139982.36 | |
C9 H16 N2 P2 S | 39018427.36 | 26208685.05 | 6731180.67 | |
C9 H19 O7 P | 74160177.60 | 37826823.27 | 14490738.31 | |
C9 H22 N8 O3 P2 | 12076936.57 | 9240212.60 | 334711.97 | |
C9 H23 N O P2 S | 100953544.64 | 42769936.34 | 11788692.52 | |
C9 H28 N5 O3 P3 S | 2989173.16 | 2021444.03 | 114015.39 | |
C9 H4 N10 O2 P2 S2 | 5395384.02 | 4572150.04 | 157021.58 | |
C9 H8 N6 | 36362977.05 | 20016287.79 | 3401477.67 | |
C9 H9 N O7 | 35001418.58 | 7018887.95 | 2638773.11 | |
Calystegin B2 | 62093172.33 | 50130358.39 | 455887.72 | |
carglumic acid | 99289919.37 | 55008313.67 | 8680402.03 | |
carnitine | 62539339203.60 | 46757282856.00 | 16193291.30 | |
Cassyfiline | 94384689.23 | 49116887.77 | 15692361.07 | |
C H4 Cl N9 O | 5749029.38 | 4338276.93 | 121147.61 | |
choline | 19835726914.40 | 9604109055.00 | 18885682.33 | |
CIS-4-HYDROXY-D-PROLINE | 75840011.46 | 53672601.77 | 8341538.89 | |
cis-aconitate | 54366399.22 | 40470997.43 | 2323744.90 | |
citrate | 60289791.65 | 46065089.22 | 132876.91 | |
citrulline | 990293088.26 | 881367089.17 | 7286480.82 | |
coformycin | 87849062.30 | 81622802.12 | 473505.16 | |
convicine | 3990598.94 | 2728508.49 | 111694.72 | |
Coumarone | 59741042.41 | 61941688.23 | 375133.51 | |
creatine | 75405500404.60 | 54365266034.33 | 46737300.45 | |
creatinine | 2820489333.40 | 2399874295.67 | 193804775.75 | |
Creatinine degenerate | 536206844.42 | 396273788.87 | 57316477.88 | |
Cysteine-glutathione disulfide | 96078151.34 | 94367811.28 | 241016.45 | |
cystine | 142200226.76 | 126692907.57 | 204377.15 | |
cytidine | 1196390221.60 | 810081325.60 | 833348.88 | |
cytosine | 338115767.12 | 319854606.33 | 89378989.96 | |
cytosine degenerate | 1617344214.70 | 1057892556.40 | 44388254.81 | |
DEHYDROASCORBIC ACID | 33370526.57 | 38906395.92 | 2826790.17 | |
Dehydrocycloguanandin | 111552026.72 | 130221934.54 | 254129.28 | |
Dehydroglycine | 56217060.29 | 65084971.62 | 471237.46 | |
DEOXYCARNITINE | 676613733.72 | 594722066.27 | 1612301.32 | |
DEOXYCARNITINE (2) | 39112156.75 | 31019183.37 | 443611.63 | |
DEOXYCYTIDINE | 81695226.61 | 73426001.69 | 2060475.73 | |
dimethylformamide | 210975312.38 | 192718211.43 | 8625115.72 | |
dimethylglicine | 664071304.28 | 582615246.77 | 46337238.97 | |
DL-Stachydrine | 6223140402.40 | 5694337411.00 | 17345795.68 | |
entecavir | 147088744.68 | 122850218.13 | 2850550.80 | |
epsilon-(gamma-Glutamyl)-lysine (RT = 10.667) | 157570678.82 | 110491094.10 | 511916.21 | |
epsilon-(gamma-Glutamyl)-lysine (RT = 11.658) | 423738181.92 | 330952402.63 | 254150.39 | |
Ethylenediaminetetraacetic acid | 316160760.66 | 42030154.62 | 10256509.21 | |
fagomine | 296317468.86 | 301373479.33 | 2488248.94 | |
Farampator | 401613183.56 | 322760388.83 | 543491.58 | |
Formiminoglutamic Acid | 1107313486.80 | 608444696.83 | 451777.80 | |
Fructoselysine | 342248267.84 | 256619836.20 | 4451409.09 | |
fructosylglycine | 51528218.60 | 28917912.51 | 4365106.38 | |
gamma-Glu-gln | 1766184362.00 | 1535389576.67 | 377885.54 | |
Glu-Glu | 10007317.62 | 7111250.57 | 163121.95 | |
glutamine | 17165944838.20 | 14941020100.67 | 178600566.68 | |
Glycerol 3-Phosphate | 33651710.52 | 30100015.48 | 157488.87 | |
Glycerophosphocholine | 1628772433.60 | 1252008621.00 | 197170587.58 | |
Gly-l-pro | 3021096697.46 | 780295254.07 | 140496384.13 | |
GNK | 68136750.00 | 63709598.73 | 256214.68 | |
Golotimod | 98194631.32 | 98592747.11 | 282393.75 | |
GSSG | 12939056.37 | 10826479.16 | 416748.49 | |
GSSG-13C4_15N2 | 159519356.40 | 94152941.61 | 35440525.56 | |
guanidinoacetate | 189105626.90 | 176334151.10 | 437370.41 | |
Guanidinoethyl Sulfonate | 12194912.30 | 13249952.74 | 261154.48 | |
GUANIDINOSUCCINATE | 53716847.15 | 37376387.28 | 211504.22 | |
guanine | 184153869.88 | 148043126.87 | 978230.18 | |
HC blue 2 | 129049691.64 | 94776046.90 | 2748835.25 | |
hercynine (RT = 6.761) | 327375693.44 | 181672707.57 | 62117539.60 | |
Hexadecanamide | 172375307.06 | 396730937.60 | 1222409.16 | |
Hexaric acid | 24486347.39 | 7072703.14 | 1733068.39 | |
histidine | 6797413045.60 | 7765597613.33 | 58216715.74 | |
histidine (tail) | 1280829948.54 | 1405939180.33 | 21778061.88 | |
Hnv | 247269623.30 | 187087526.38 | 471903.57 | |
homocitrulline | 366888620.08 | 338171174.10 | 490723.01 | |
Homo-L-arginine | 3481567590.60 | 3022083472.67 | 852255.99 | |
hypoxanthine | 2945531787.80 | 2794709539.33 | 2266469.19 | |
Imafen | 25580154.56 | 18200735.72 | 2371522.25 | |
Imidazol-4-one-5-propionic acid | 465607170.10 | 97000974.28 | 9269388.18 | |
Imidazoleacetic acid riboside | 150100804.05 | 126883557.19 | 1059917.49 | |
Imidazolelactate | 122341585.81 | 47464958.65 | 11374590.94 | |
Imidazolelactate (2) | 39462697.02 | 21739913.71 | 2768091.22 | |
L-allysine | 190890757.36 | 139183175.77 | 9719385.26 | |
L-dihydroanticapsin | 715361561.02 | 692061273.57 | 3247265.47 | |
lentiginosine | 3071375862.80 | 2770261166.33 | 13485934.02 | |
L-Ethionine | 91096215.98 | 90535006.75 | 198117.51 | |
leucine/isoleucine | 6524239500.20 | 6674200288.67 | 13854256.16 | |
L-Glutamyl-L-alanine | 526465925.36 | 487203616.03 | 11007159.82 | |
_-L-Glutamyl-L-glutamic acid | 17578160.00 | 19952515.76 | 233405.79 | |
L-Lysine lactam | 327861983.14 | 301169236.27 | 12044700.72 | |
L-Prolinamide | 190462162.18 | 165868493.77 | 10680899.20 | |
lysine | 11510628188.80 | 10825876672.67 | 9541010.74 | |
Lysine degenerate | 29213308.38 | 26787137.15 | 3234284.28 | |
MANNOSAMINE/GALACTOSAMINE | 74416747.48 | 104651737.19 | 9813834.90 | |
methionine | 353482372.60 | 820698651.57 | 608665.46 | |
Methionine sulfoxide | 6834424469.80 | 8038191164.00 | 14771568.69 | |
Metronidazole | 295892848.26 | 206938827.83 | 2754405.97 | |
MFCD00036904 | 450040089.40 | 437278848.73 | 1351059.89 | |
MFCD00127891 | 346596511.44 | 291624590.87 | 3725293.69 | |
MFCD00127891 (2) | 66219306.34 | 58034963.55 | 736189.09 | |
MFCD00135289 | 366292194.10 | 333286247.37 | 724595.06 | |
MFCD00672375 | 40731849.06 | 30019902.73 | 5993181.53 | |
MW_102.04705@RT_4.869 | 159568195.70 | 168961227.67 | 1047680.93 | |
MW_112.06380@RT_9.852 | 107031556.25 | 80443962.29 | 29198994.36 | |
MW_119.07362@RT_4.865 | 5532688960.00 | 5321497007.33 | 10810690.07 | |
MW_141.93145@RT_12.240 | 15641044.00 | 10253037.32 | 607756.72 | |
MW_143.10600@RT_15.220 | 58796331.94 | 46474105.15 | 4665797.50 | |
MW_157.08528@RT_14.670 | 127085488.30 | 112362121.79 | 11057858.89 | |
MW_168.05122@RT_9.206 | 174604667.80 | 166339341.70 | 1994534.31 | |
MW_174.13701@RT_11.699 | 884124475.36 | 679214247.00 | 1349441.70 | |
MW_182.06938@RT_2.194 | 314597965.08 | 63275369.49 | 8321067.11 | |
MW_184.04857@RT_2.279 | 376823982.25 | 44722080.65 | 638797.05 | |
MW_190.13186@RT_12.889 | 476317220.06 | 432146940.10 | 155193.05 | |
MW_192.14765@RT_5.742 | 365759606.10 | 274115909.40 | 439482.20 | |
MW_196.09328@RT_14.706 | 65611717.07 | 76051101.99 | 235869.46 | |
MW_202.04554@RT_10.888 | 69691395.11 | 58507972.73 | 155427.08 | |
MW_203.12715@RT_9.480 | 96172824.23 | 80844377.95 | 290978.37 | |
MW_204.06103@RT_8.342 | 52880726.62 | 46292231.01 | 424528.02 | |
MW_214.00900@RT_12.421 | 363401207.70 | 258846900.43 | 1041559.05 | |
MW_218.16307@RT_5.460 | 90308470.65 | 89369723.32 | 561019.20 | |
MW_220.14238@RT_11.770 | 22024413.57 | 19868350.57 | 257009.29 | |
MW_230.09040@RT_10.434 | 88553127.51 | 57643264.46 | 3399456.24 | |
MW_234.08527@RT_10.478 | 594264320.70 | 502511508.00 | 1775314.32 | |
MW_234.15798@RT_5.951 | 3664110292.60 | 3147005423.00 | 1272497.01 | |
MW_237.03086@RT_11.836 | 15539779.75 | 11638291.91 | 122923.93 | |
MW_245.17390@RT_13.879 | 78799675.54 | 57757747.55 | 158705.63 | |
MW_248.10026@RT_9.781 | 191741328.18 | 135059348.80 | 5597712.43 | |
MW_248.10085@RT_8.016 | 91706888.05 | 33393531.31 | 8513424.23 | |
MW_248.13723@RT_10.001 | 65090632.77 | 33073153.47 | 2070098.58 | |
MW_249.03070@RT_13.154 | 28172849.10 | 25017077.05 | 118824.25 | |
MW_249.03075@RT_12.337 | 10309214.90 | 8255671.99 | 67351.65 | |
MW_255.02291@RT_12.423 | 273935012.32 | 202298372.60 | 889139.11 | |
MW_260.13721@RT_6.892 | 312856256.38 | 245691061.10 | 2819654.20 | |
MW_265.11615@RT_9.534 | 30246623.05 | 20718769.89 | 7744117.44 | |
MW_273.03346@RT_12.439 | 96507804.06 | 72908636.58 | 154407.68 | |
MW_275.13687@RT_8.237 | 111504450.36 | 85021564.31 | 1905109.32 | |
MW_276.14328@RT_10.113 | 25011771.87 | 15054976.88 | 237050.91 | |
MW_296.04943@RT_12.425 | 45989123.20 | 33265237.75 | 156041.41 | |
MW_297.04530@RT_10.230 | 128295374.84 | 135670473.01 | 363505.33 | |
MW_301.11732@RT_5.003 | 85697501.60 | 110949979.57 | 752048.61 | |
MW_303.15422@RT_11.640 | 474521659.82 | 390040983.07 | 185844.64 | |
MW_303.17938@RT_10.309 | 26778294.86 | 21520579.66 | 1101592.95 | |
MW_311.96380@RT_12.332 | 34445273.03 | 26154769.80 | 104498.83 | |
MW_317.19505@RT_10.542 | 15590345.70 | 12234428.52 | 1322769.06 | |
MW_318.10622@RT_11.197 | 25552390.52 | 20278202.67 | 398019.64 | |
MW_321.06957@RT_13.811 | 60084057.38 | 48900043.65 | 99706.53 | |
MW_324.15331@RT_13.690 | 9131923.39 | 6449472.48 | 159378.37 | |
MW_331.18574@RT_9.885 | 65634082.05 | 52543720.12 | 176848.32 | |
MW_349.14851@RT_11.447 | 14120932.24 | 9748966.18 | 223497.52 | |
MW_357.19331@RT_14.070 | 243394144.56 | 176096285.60 | 647095.55 | |
MW_374.10730@RT_11.416 | 42978968.34 | 35527748.01 | 246903.83 | |
MW_375.25189@RT_1.761 | 468522631.88 | 381075687.40 | 36893056.31 | |
MW_377.13226@RT_7.361 | 57533046.69 | 48668959.43 | 391520.33 | |
MW_377.14332@RT_11.076 | 6910974.12 | 6449306.31 | 223862.53 | |
MW_385.19950@RT_14.698 | 55345092.11 | 66306208.99 | 270022.93 | |
MW_392.27853@RT_1.761 | 1499296706.20 | 1170212564.33 | 117066507.59 | |
MW_404.15447@RT_11.236 | 46110716.83 | 49105025.25 | 262364.32 | |
MW_406.02362@RT_12.452 | 26157973.54 | 19879393.03 | 100794.30 | |
MW_412.13438@RT_6.720 | 19608011.35 | 16463435.13 | 277958.78 | |
MW_420.30988@RT_1.761 | 28572425.44 | 20349941.41 | 1994144.60 | |
MW_453.12750@RT_4.804 | 50827591.91 | 57460148.67 | 942114.89 | |
MW_467.30117@RT_1.989 | 52141696.47 | 45917786.60 | 1167902.56 | |
MW_486.17144@RT_6.476 | 1189067511.96 | 742282342.30 | 395052.94 | |
MW_486.20679@RT_13.608 | 5687455.74 | 4500651.78 | 145945.84 | |
MW_511.32788@RT_2.070 | 18638677.46 | 18314048.67 | 902111.20 | |
MW_519.33305@RT_1.876 | 97098717.88 | 111360532.22 | 1351487.13 | |
MW_747.52194@RT_1.684 | 25517840.86 | 23849030.16 | 709338.23 | |
MW_786.65939@RT_1.834 | 17233373.12 | 12130755.23 | 1009233.01 | |
MW_787.60672@RT_1.749 | 250251952.60 | 227593256.50 | 749227.62 | |
MW_83.03722@RT_9.319 | 580361830.52 | 511071305.40 | 9258869.06 | |
MW_884.36037@RT_1.656 | 59482084.79 | 51433591.54 | 528197.15 | |
MW_901.38723@RT_1.656 | 54419636.95 | 46028086.35 | 509006.14 | |
N~2~-Acetyl-L-ornithine | 2342820721.40 | 1839927497.00 | 4947627.07 | |
N(2)-succinyl-L-arginine | 30450014.95 | 27408000.80 | 259697.82 | |
"N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid" | 606767290.60 | 103114694.42 | 4338435.23 | |
"N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid (2)" | 528667933.88 | 243783581.07 | 37388872.88 | |
"N~6~-[(2R)-3,4-Dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine" | 89291981.02 | 46199464.53 | 3264384.54 | |
N6-acetyl-N6-hydroxy-L-lysine | 81549350.22 | 57885248.74 | 324159.17 | |
N6-METHYLLYSINE | 2498404014.00 | 2150676776.00 | 784294.98 | |
N8-Acetylspermidine (tail) | 81011171.90 | 53444182.97 | 1054426.92 | |
N-Acetyl-1-aspartylglutamic acid | 111806232.04 | 79840810.73 | 4892696.21 | |
N-Acetyl-D-quinovosamine | 160185216.15 | 74912337.56 | 446560.88 | |
N-Acetyl-L-histidine | 89087754.14 | 60018834.81 | 7286906.87 | |
N-acetyllysine | 257477209.68 | 182222789.03 | 6802417.65 | |
N-ACETYLPUTRESCINE | 185318002.96 | 140632961.13 | 8500751.77 | |
N-Benzylformamide | 322975554.98 | 343957708.10 | 1179498.16 | |
N-glycoloyl-D-mannosaminolactone | 5799182.30 | 20107740.95 | 3817358.10 | |
niacinamide | 1617796368.60 | 959690479.07 | 38576399.13 | |
nitrilotriacetic acid | 91901250.16 | 62734156.08 | 5661472.76 | |
Nitrosoguvacoline (RT = 2.722) | 1395651398.44 | 241178861.34 | 22115823.03 | |
"N,N-Dihydroxy-L-valine" | 30467368.27 | 17560943.26 | 2334306.70 | |
"N,N-DIMETHYLARGININE" | 3911498052.20 | 3240184107.00 | 587113.07 | |
"N,N,N-TRIMETHYLLYSINE" | 1607810388.40 | 1203970779.27 | 539415.08 | |
NPYR | 233543219.40 | 191842028.70 | 24873826.34 | |
Nudifloramide | 568569467.64 | 401570973.83 | 21128843.67 | |
Octopine | 69505774.14 | 41885421.04 | 401594.50 | |
ornithine | 449494998.74 | 422319643.77 | 1691047.60 | |
OXOPROLINE/PYROGLUTAMATE | 88028758.84 | 57073678.10 | 10430310.00 | |
Palmitoyl sphingomyelin | 107386385.05 | 90992661.37 | 1060190.97 | |
p-aminobenzoate | 2348169461.60 | 2012790465.67 | 1650669.04 | |
PANTOTHENATE | 23307084680.60 | 19034477451.33 | 3610854.28 | |
Paramethadione | 73523961.87 | 58020121.23 | 3006886.17 | |
PC | 280468309.24 | 238478690.07 | 770814.58 | |
phenylalanine | 8850301520.00 | 9176469497.33 | 19643036.52 | |
phosphocholine | 887272129.72 | 721722382.23 | 51472406.90 | |
Pipecolate | 668689953.60 | 541987636.57 | 8091622.55 | |
Pipecolinic acid degenerate | 6420096782.80 | 6057160355.00 | 17107438.93 | |
Pipecolinic acid (tail) | 223278475.54 | 188717820.50 | 2680937.09 | |
Pipecolinic acid (tail) (2) | 37170185.05 | 28132336.76 | 2419954.35 | |
Piperidine | 1714799746.40 | 1766352286.00 | 3880903.39 | |
Piracetam | 4046019011.60 | 1225512425.47 | 274079739.83 | |
Piracetam (2) | 400436481.44 | 309424905.63 | 20942744.73 | |
Pirbuterol | 92288977.29 | 63031448.32 | 7174125.13 | |
Pregabalin | 8352403536.00 | 6393392455.33 | 987389.09 | |
Pro-Hyp | 231131040.44 | 176247429.43 | 1159404.53 | |
Pro-Hyp (2) | 367492752.62 | 276449396.73 | 2261592.99 | |
proline | 23352224703.60 | 20701022493.67 | 48186692.11 | |
Proline (2) | 592332604.18 | 551783157.13 | 15573740.82 | |
Prolylglycine | 352787469.04 | 222428501.73 | 20579345.34 | |
Prolylleucine | 65984933.00 | 55489707.32 | 408282.37 | |
Prolylleucine (2) | 53791866.59 | 36319054.25 | 9574099.49 | |
propionylcarnitine | 964648240.00 | 815284859.67 | 223132494.73 | |
Pyridoxal | 604520183.62 | 809536107.03 | 1644810.66 | |
Pyroglutamic Acid | 13575470329.60 | 11702083947.00 | 158329207.70 | |
quinolinic_acid | 18337351.76 | 17143196.08 | 382647.40 | |
saccharopine | 13287249.83 | 9136935.65 | 374495.74 | |
S-Adenosyl-L-methionine | 286666723.20 | 267508427.50 | 341953.50 | |
serine | 439522348.78 | 491241720.70 | 2772558.46 | |
Stachydrine | 38650901.98 | 31640953.97 | 3061701.22 | |
streptidine | 487290021.32 | 422021329.23 | 280942.27 | |
Succinyladenosine | 101463219.71 | 75066332.23 | 206171.78 | |
taurine | 1423713397.60 | 1622647333.33 | 742688.45 | |
Thiamine | 361640285.88 | 273702152.17 | 1070206.73 | |
threonine | 2619601197.80 | 2399896348.00 | 42631230.36 | |
Tilarginine | 621197285.92 | 541964055.13 | 633726.58 | |
trans-3-Indoleacrylic acid | 1021756720.32 | 1212881492.67 | 607888.20 | |
tryptophan | 1090372790.80 | 1291658970.67 | 644802.83 | |
tyrosine | 1604977714.00 | 1659493091.33 | 2563870.57 | |
UROCANATE | 107710224.43 | 21170030.44 | 6647967.31 | |
valine | 5008949335.20 | 4350051079.67 | 188145257.90 | |
Veronal | 4506251205.80 | 2089424217.00 | 790041579.15 | |
Veronal (2) | 555636980.36 | 121483596.81 | 21992663.87 | |
Veronal (3) | 297348161.25 | 122227729.66 | 19445637.88 | |
vinylglycine | 353852570.50 | 319223675.87 | 13970840.96 | |
YV8195000 | 319191121.30 | 309831786.30 | 2424243.89 |
Factors:
F1 | Sample source:embryonic CSF | Maternal Treatment (injection):PolyIC | Developmental Timepoint:E12.5 | Collection Time:3 Hrs |
F2 | Sample source:embryonic CSF | Maternal Treatment (injection):saline | Developmental Timepoint:E12.5 | Collection Time:3 Hrs |
F3 | Sample source:mock | Maternal Treatment (injection):N/A | Developmental Timepoint:N/A | Collection Time:N/A |