Data for ST000697
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ | 16098.00 | 9776.00 | - | 10174.00 | 11143.00 | 9790.00 | 9587.00 | 6727.00 | 10432.00 | 11478.00 | 13518.00 | 10265.00 | 9234.00 | 8722.00 | 10862.00 | ||
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ | 332230.00 | 179704.00 | 36410.00 | 350155.00 | 416865.00 | 91679.00 | 14336.00 | 67050.00 | 182283.00 | 34352.00 | 42822.00 | 93550.00 | 90641.00 | 9251.00 | 74578.00 | ||
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ | 27955.00 | 14743.00 | - | 10428.00 | - | 14729.00 | - | - | - | - | 15333.00 | - | 6577.00 | - | - | ||
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ | 609886.00 | 332196.00 | 404718.00 | 60179.00 | 233098.00 | 317756.00 | 299787.00 | 241729.00 | 243452.00 | 291226.00 | 257125.00 | 166445.00 | 103071.00 | 170155.00 | 202547.00 | ||
18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+ | - | - | - | - | 1023.00 | 1018.00 | - | - | - | 1247.00 | - | - | - | - | - | ||
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+ | 5977.00 | 6128.00 | - | 4324.00 | 4990.00 | 1280.00 | 6857.00 | - | 5274.00 | 6925.00 | 5207.00 | 5119.00 | 4977.00 | 4325.00 | - | ||
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ | 58294.00 | 40836.00 | 44613.00 | 51502.00 | 43940.00 | 43265.00 | 39079.00 | 36530.00 | 38930.00 | 30934.00 | 45386.00 | 39791.00 | 39434.00 | 40487.00 | 35905.00 | ||
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ | 2489.00 | - | - | - | - | - | - | - | - | - | 2414.00 | - | - | - | - | ||
1-METHYLNICOTINAMIDE (CAS# ); M+ | - | - | - | - | - | 10774.00 | - | - | - | - | - | - | - | - | - | ||
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O] | 813343.00 | 609829.00 | 397622.00 | 411394.00 | 531927.00 | 437757.00 | 443480.00 | 486684.00 | 785036.00 | 759557.00 | 336691.00 | 167700.00 | 269460.00 | 103189.00 | 244007.00 | ||
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ | 142098.00 | 167109.00 | 395351.00 | 137988.00 | 186438.00 | 55973.00 | 87040.00 | - | 52087.00 | 72276.00 | 184609.00 | 118489.00 | - | 110234.00 | 52218.00 | ||
1-PHENYLETHANOL (CAS# 1445-91-6); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | 14358.00 | - | - | - | - | ||
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ | - | - | - | 22049.00 | 13743.00 | - | 33565.00 | - | 15515.00 | 28028.00 | - | - | - | 14962.00 | - | ||
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ | 2334.00 | 2472.00 | - | - | - | 9829.00 | - | 26768.00 | - | - | - | - | - | - | - | ||
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ | 1259147.00 | 342332.00 | - | 1184923.00 | 2001531.00 | 341201.00 | - | 237842.00 | 590365.00 | - | 52019.00 | 508234.00 | 420744.00 | 38519.00 | 240497.00 | ||
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+ | 12628.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
2^-DEOXYGUANOSINE (CAS# 961-07-9); (2M+H)+ | - | - | - | 2245.00 | - | - | - | 9768.00 | 2451.00 | - | 7770.00 | - | - | - | 2427.00 | ||
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ | 1717794.00 | 901694.00 | 2382960.00 | 1556801.00 | 1969612.00 | 528516.00 | 223472.00 | 114324.00 | 226817.00 | 100059.00 | 1387975.00 | 1433647.00 | 289604.00 | 76948.00 | 865464.00 | ||
2^-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+ | - | - | - | - | - | 5148.00 | - | - | - | - | - | - | - | - | - | ||
2^-DEOXYINOSINE (CAS# 890-38-0); (M+H)+ | - | - | - | - | - | 9577.00 | - | - | - | - | - | - | - | - | - | ||
2^-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+ | 81556.00 | 12261.00 | - | 12589.00 | - | 59214.00 | - | - | 12683.00 | - | - | - | - | 10588.00 | 25002.00 | ||
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+ | - | - | - | - | 96662.00 | - | - | - | - | 111950.00 | 46033.00 | 21978.00 | 20548.00 | - | 80510.00 | ||
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] | 50684.00 | 280465.00 | - | 209891.00 | 42937.00 | 139465.00 | 39493.00 | 31972.00 | 28743.00 | 46339.00 | 142580.00 | 22513.00 | - | 179351.00 | 144951.00 | ||
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+ | - | - | - | - | - | 4696.00 | - | - | 3958.00 | 6734.00 | - | 3828.00 | - | - | - | ||
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] | 2631.00 | 2307.00 | - | 6027.00 | 1122.00 | 6021.00 | 6268.00 | 6232.00 | 10066.00 | 5505.00 | 8616.00 | 5606.00 | 6501.00 | 5658.00 | 3658.00 | ||
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+ | - | - | - | - | - | - | - | - | 1347.00 | - | - | - | - | - | - | ||
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+ | 45846.00 | 87527.00 | 71531.00 | - | 53645.00 | - | 32681.00 | - | - | 30553.00 | - | 64617.00 | - | 61457.00 | 79079.00 | ||
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+ | - | - | - | 7512.00 | - | - | 3920.00 | - | - | - | 6108.00 | - | - | 1851.00 | - | ||
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA)+ | 3222.00 | 3010.00 | - | 4921.00 | - | 3484.00 | 5779.00 | 3280.00 | 6080.00 | - | 6723.00 | - | 2417.00 | 3310.00 | - | ||
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+ | - | 1250.00 | - | - | - | 2249.00 | 1444.00 | 1176.00 | 1579.00 | 1216.00 | 1821.00 | - | 1062.00 | 3282.00 | 1780.00 | ||
3-METHYLADENINE (CAS# 5142-23-4); (M+NA)+ | 40412.00 | 42495.00 | 28432.00 | 32971.00 | 27242.00 | 23292.00 | 20460.00 | 18470.00 | 19197.00 | 16401.00 | 39425.00 | 29372.00 | 24645.00 | 25411.00 | 32566.00 | ||
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+ | - | - | - | - | - | 5070.00 | - | 4977.00 | - | - | - | - | - | 1672.00 | - | ||
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ | - | - | - | - | 10201.00 | 32107.00 | - | 77501.00 | - | - | - | - | - | - | - | ||
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H... | 144183.00 | 209622.00 | - | 197619.00 | - | - | - | - | - | - | 557724.00 | 590301.00 | 437104.00 | - | - | ||
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+ | 2567.00 | - | 1706.00 | 3322.00 | - | - | - | - | 4271.00 | 8134.00 | 3175.00 | 2565.00 | - | - | - | ||
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+ | - | 2175.00 | - | - | 2974.00 | 3334.00 | 5748.00 | 1815.00 | 3610.00 | 7732.00 | 1418.00 | 2333.00 | - | - | - | ||
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+ | - | 7072.00 | - | 8466.00 | - | 11551.00 | 11221.00 | 8536.00 | 10088.00 | 19408.00 | - | - | 9909.00 | - | 8806.00 | ||
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+ | - | 1866.00 | - | 3755.00 | - | - | 4205.00 | - | 3835.00 | 5922.00 | 3638.00 | - | - | - | - | ||
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] | 138799.00 | 215952.00 | 43810.00 | 164492.00 | 222271.00 | 47606.00 | 7187.00 | 17699.00 | 99415.00 | 25323.00 | 51916.00 | 85260.00 | 79459.00 | 6445.00 | 111731.00 | ||
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ | 1238664.00 | 45037.00 | 18632.00 | 2131810.00 | 1252459.00 | 51407.00 | 1072656.00 | 1135869.00 | 1185933.00 | 923137.00 | 17025.00 | 1184452.00 | 1014216.00 | 1407246.00 | 2994.00 | ||
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+H)+ | 469464.00 | 11771.00 | 37958.00 | 30703.00 | 37177.00 | 387765.00 | 39457.00 | 39513.00 | 33165.00 | 57053.00 | 409731.00 | 25675.00 | 46165.00 | 21676.00 | 39656.00 | ||
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+ | - | - | - | - | - | - | - | - | - | 4649.00 | - | - | - | - | - | ||
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ | 402275.00 | 226211.00 | 336596.00 | 276427.00 | 256084.00 | 264191.00 | 307001.00 | 224813.00 | 353391.00 | 310978.00 | 277016.00 | 220293.00 | 223792.00 | 202659.00 | 223206.00 | ||
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ | 150414.00 | 129913.00 | 157584.00 | 136459.00 | 116299.00 | 126545.00 | 180475.00 | 127123.00 | 174807.00 | 159369.00 | 129879.00 | 118994.00 | 86908.00 | 125307.00 | 116541.00 | ||
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ | 3768408.00 | 3540772.00 | 3402904.00 | 4310134.00 | 4032471.00 | 3892448.00 | 3441154.00 | 3659285.00 | 3650429.00 | 3586786.00 | 3942215.00 | 3402563.00 | 3383523.00 | 3763277.00 | 3115473.00 | ||
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+ | - | - | 1002.00 | - | - | 5070.00 | - | 4977.00 | - | - | - | - | - | 1672.00 | - | ||
ABRINE (CAS# 526-31-8); (M+H)+ | - | - | 12749.00 | - | - | - | - | - | 6262.00 | - | - | - | - | - | - | ||
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+ | 3542.00 | - | 2370.00 | 2045.00 | - | - | - | - | - | - | - | - | 2064.00 | - | - | ||
ACETOACETATE (CAS# 541-50-4); (M+H)+ | - | - | 11519.00 | - | - | - | - | 11948.00 | - | - | - | 10899.00 | 45897.00 | - | 35342.00 | ||
ACETYLCHOLINE (CAS# 51-84-3); M+ | 9070.00 | - | 3063.00 | 7743.00 | 12474.00 | - | 4640.00 | - | 4707.00 | 5293.00 | 4320.00 | 7254.00 | 5542.00 | 3080.00 | 2973.00 | ||
ADENINE (CAS# 73-24-5); (M+H)+ | 1527261.00 | 1245279.00 | 1346178.00 | 1609506.00 | 1734847.00 | 1923297.00 | 1966728.00 | 2127813.00 | 1747601.00 | 2488510.00 | 2026279.00 | 1403126.00 | 1396241.00 | 1444921.00 | 1119288.00 | ||
ADENOSINE 5^-DIPHOSPHATE (CAS# 58-64-0); (M+H)+ | 137128.00 | 63798.00 | 275811.00 | 79453.00 | 67148.00 | 42595.00 | 40282.00 | 21919.00 | 34319.00 | 16731.00 | 53480.00 | 50203.00 | 52578.00 | 148525.00 | 65451.00 | ||
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M+H)+ | 6639.00 | - | 4498.00 | 6871.00 | - | - | - | - | - | - | 1927.00 | 9591.00 | - | - | - | ||
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+ | 610883.00 | 382392.00 | 537332.00 | 734128.00 | 728272.00 | 113057.00 | 110060.00 | 112957.00 | 137200.00 | 116159.00 | 279366.00 | 689562.00 | 266992.00 | 411118.00 | 275907.00 | ||
ADENOSINE (CAS# 58-61-7); (M+H)+ | 1717794.00 | 901686.00 | 2382960.00 | 1551741.00 | 1969612.00 | 528564.00 | 223472.00 | 114324.00 | 226817.00 | 100059.00 | 1387975.00 | 1430397.00 | 58400.00 | 76948.00 | 858381.00 | ||
ADP-RIBOSE (CAS# ); (M+H)+[-H2O] | 2483.00 | - | - | 2006.00 | 1836.00 | 1681.00 | - | 1611.00 | 1822.00 | 1671.00 | 1538.00 | 1821.00 | 1340.00 | - | 1527.00 | ||
AHBA (CAS# 76045-71-1); (M+H)+ | - | - | - | - | 3167.00 | 4696.00 | - | 4200.00 | 3958.00 | 6734.00 | - | 3828.00 | 4787.00 | 4798.00 | - | ||
ALANINE (CAS# 56-41-7); (M+H)+ | - | - | - | 1382.00 | 1151.00 | - | - | - | - | - | 1392.00 | - | - | - | - | ||
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O] | - | - | - | 7512.00 | - | - | 3920.00 | - | - | - | 6108.00 | - | - | 1851.00 | - | ||
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O] | 3222.00 | 3010.00 | - | 4921.00 | - | 3484.00 | 5779.00 | 3280.00 | 6080.00 | - | 6723.00 | - | 2417.00 | 3310.00 | - | ||
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+ | - | - | - | - | - | - | - | 31049.00 | - | - | 53037.00 | - | - | - | - | ||
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O] | - | - | - | - | 3287.00 | - | - | - | - | - | - | - | - | - | - | ||
AZELAIC ACID (CAS# 123-99-9); (M+NA)+ | 14444.00 | 12828.00 | 22369.00 | 8000.00 | 15107.00 | 27200.00 | 15223.00 | 36560.00 | 11475.00 | 21548.00 | 10445.00 | - | 6394.00 | 15792.00 | - | ||
BENZOIN (CAS# 119-53-9); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | 1757.00 | - | ||
BETA-ALANINE (CAS# 107-95-9); (M+H)+ | - | - | - | - | - | 5561.00 | - | - | - | - | - | 3787.00 | 6832.00 | - | - | ||
BETAINE (CAS# 107-43-7); (M+H)+ | 1207723.00 | 42706.00 | 18900.00 | 1753333.00 | 1254935.00 | 50946.00 | 345604.00 | 122393.00 | 1165634.00 | 894167.00 | 17813.00 | 331206.00 | 1004552.00 | 1391055.00 | 2994.00 | ||
BETAINE (CAS# 107-43-7); (M+NA)+ | 3493.00 | 15208.00 | - | 45395.00 | 12015.00 | 36395.00 | - | 14682.00 | 6500.00 | 16482.00 | - | 37492.00 | 14323.00 | 2258.00 | - | ||
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ | - | - | - | 1089.00 | - | - | - | - | - | - | - | 2760.00 | - | - | - | ||
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ | 949345.00 | 867259.00 | 739081.00 | 791010.00 | 1064514.00 | 858844.00 | 1461424.00 | 1831411.00 | 794092.00 | 1662341.00 | 752054.00 | 712005.00 | 692159.00 | 716878.00 | 710412.00 | ||
BOC-ALA-OH (CAS# 15761-38-3); (M+NA)+ | 11739.00 | - | - | - | - | 6427.00 | 5739.00 | - | - | 5054.00 | - | - | - | 4286.00 | 7741.00 | ||
CADAVERINE (CAS# 462-94-2); (M+NA)+ | 2819.00 | - | 1149.00 | 4595.00 | 3797.00 | 5316.00 | 4960.00 | 6188.00 | 3782.00 | 6639.00 | 1646.00 | - | 3961.00 | 1678.00 | 1951.00 | ||
CALCIDIOL (CAS# 19356-17-3); (M+NA)+ | - | - | 6434.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
CARNOSINE (CAS# 305-84-0); (M+H)+ | - | - | - | - | - | 13677.00 | - | - | - | - | 6173.00 | - | - | - | - | ||
CELLOBIOSE (CAS# 528-50-7); (M+NA)+ | - | - | - | 1089.00 | - | - | - | - | - | - | - | - | - | - | - | ||
CHOLATE (CAS# 81-25-4); (M+NA)+ | - | - | - | - | - | 13000.00 | - | - | - | - | - | - | - | - | - | ||
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] | 138799.00 | 215952.00 | 43810.00 | 164551.00 | 222271.00 | 47606.00 | 7187.00 | 17699.00 | 99564.00 | 25323.00 | 51916.00 | 85260.00 | 79459.00 | 6445.00 | 111731.00 | ||
CHOLINE (CAS# 62-49-7); M+ | 77495.00 | 92499.00 | 38275.00 | 75700.00 | 64779.00 | 62543.00 | 58944.00 | 67866.00 | 62583.00 | 58619.00 | 34509.00 | 37612.00 | 32711.00 | 76508.00 | 36622.00 | ||
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+ | 229158.00 | 21442.00 | 10967.00 | 329617.00 | 171928.00 | - | 144444.00 | 120715.00 | 311324.00 | 138750.00 | 86480.00 | 153798.00 | 115994.00 | 11206.00 | 182414.00 | ||
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+ | - | - | - | - | 17555.00 | - | 8194.00 | 4886.00 | - | 5150.00 | - | 13201.00 | - | - | - | ||
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ | 6262552.00 | 1759280.00 | 6025213.00 | 5540730.00 | 5781374.00 | 5413091.00 | 5836791.00 | 5380901.00 | 5783493.00 | 7179219.00 | 6207770.00 | 4400587.00 | 5396116.00 | 4413215.00 | 5861981.00 | ||
CITRATE (CAS# 77-92-9); (M+NA)+ | 35478.00 | 32446.00 | 25785.00 | 38435.00 | 27178.00 | 31324.00 | 28255.00 | 35507.00 | 28828.00 | 39460.00 | 26676.00 | 28510.00 | 22124.00 | 21157.00 | 24324.00 | ||
CITRULLINE (CAS# 372-75-8); (M+H)+ | - | 1829.00 | 3841.00 | 6022.00 | - | - | - | - | - | - | 5520.00 | - | - | - | - | ||
CITRULLINE (CAS# 372-75-8); (M+NA)+ | 1361.00 | - | - | - | - | - | - | - | - | - | - | 1869.00 | - | - | - | ||
CORTISOL (CAS# 50-23-7); (M+NA)+ | - | - | 9731.00 | - | - | - | - | 35052.00 | - | - | 7482.00 | - | - | - | - | ||
CREATINE (CAS# 57-00-1); (M+H)+ | 208931.00 | 261457.00 | - | 201520.00 | 166288.00 | 276773.00 | - | 148227.00 | - | 92675.00 | 268250.00 | 313017.00 | 255473.00 | - | 319669.00 | ||
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H)+ | 1841.00 | 1640.00 | 1146.00 | 1676.00 | - | - | - | - | - | - | - | 1105.00 | - | - | - | ||
DAMP (CAS# 653-63-4); (M+H)+ | 3170.00 | 5968.00 | - | - | 6689.00 | 10918.00 | 16297.00 | 17961.00 | 15039.00 | 21890.00 | - | 20580.00 | 7691.00 | - | - | ||
DEBRISOQUIN (CAS# 581-88-4); (M+H)+ | 19767.00 | - | 12891.00 | 1178.00 | 4980.00 | - | 5378.00 | 2085.00 | - | 10311.00 | - | - | - | - | 2482.00 | ||
DECANOATE (CAS# 334-48-5); (2M+NA)+ | - | - | - | - | - | - | - | - | - | 28530.00 | 52089.00 | 8511.00 | - | - | - | ||
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+ | - | - | - | - | - | 29407.00 | - | - | - | - | - | - | - | - | - | ||
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+ | - | - | - | - | - | 354245.00 | 10621.00 | 3620.00 | 3099.00 | - | - | - | - | - | - | ||
DESLORATADINE (CAS# 100643-71-8); (M+H)+ | - | - | - | 1848.00 | - | - | - | - | - | - | - | - | - | - | - | ||
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O] | 6957.00 | 4492.00 | - | - | 5484.00 | - | - | - | - | - | 3739.00 | - | 3086.00 | - | 3211.00 | ||
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O] | 21217.00 | 7352.00 | 7634.00 | 350773.00 | 443097.00 | 10340.00 | 6412.00 | 7043.00 | 12573.00 | 4515.00 | 3363.00 | 146877.00 | 71754.00 | 13394.00 | - | ||
D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+ | - | - | 13550.00 | 9724.00 | 14063.00 | - | - | - | - | 10502.00 | - | 9784.00 | 9045.00 | - | - | ||
DGDP (CAS# 653-63-4); (M+H)+ | 3170.00 | 5968.00 | - | 4667.00 | 6689.00 | 10918.00 | 16297.00 | 17961.00 | 15039.00 | 21890.00 | - | 20580.00 | 7691.00 | 13266.00 | - | ||
D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+ | - | - | 13550.00 | 9724.00 | 14063.00 | - | - | - | - | 10502.00 | - | 9784.00 | 9045.00 | - | - | ||
DGMP (CAS# 902-04-5); (M+H)+ | 201597.00 | 113698.00 | 192437.00 | 160732.00 | 169461.00 | 72826.00 | 59749.00 | 54909.00 | 78991.00 | 67913.00 | 118726.00 | 182995.00 | 112681.00 | 121674.00 | 110902.00 | ||
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O] | 21217.00 | 7352.00 | 7634.00 | 350773.00 | 443097.00 | 10340.00 | 6412.00 | 7043.00 | 12573.00 | 4515.00 | 3363.00 | 146877.00 | 71754.00 | 13394.00 | - | ||
D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+ | - | - | 13550.00 | 9724.00 | 14063.00 | - | - | - | - | 10502.00 | - | 9784.00 | 9045.00 | - | - | ||
EDTA (CAS# 60-00-4); (M+NA)+ | - | - | - | - | 1256.00 | - | - | - | - | 2490.00 | - | 1325.00 | - | - | - | ||
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ | 9458.00 | 7219.00 | 7922.00 | 6789.00 | 9825.00 | 5584.00 | 8773.00 | 12952.00 | 4256.00 | 5276.00 | - | 10990.00 | 7148.00 | 2291.00 | 3887.00 | ||
ETHANOLAMINE (CAS# 141-43-5); (2M+NA)+[-H2O] | - | - | - | - | - | - | 3088.00 | 3673.00 | 2419.00 | 2862.00 | 2327.00 | - | - | - | - | ||
FERULATE (CAS# 1135-24-6); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | 1083.00 | - | - | - | ||
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)+ | 9464.00 | - | 6816.00 | 6300.00 | 1638.00 | 8847.00 | 2640.00 | - | - | 6128.00 | 4765.00 | 1440.00 | - | - | 7431.00 | ||
FOLIC ACID (CAS# 59-30-3); (M+H)+ | 3403.00 | 1298.00 | 1454.00 | 3443.00 | - | 2738.00 | 4257.00 | 4736.00 | 3518.00 | 7043.00 | 5009.00 | 2197.00 | - | 1897.00 | - | ||
FOLIC ACID (CAS# 59-30-3); (M+NA)+ | 2429.00 | 1346.00 | 1432.00 | 2046.00 | 3966.00 | 2883.00 | 3136.00 | 3323.00 | 2848.00 | 5694.00 | 4240.00 | 1787.00 | 2489.00 | 1316.00 | - | ||
FRUCTOSE (CAS# 57-48-7); (M+NA)+ | 1140.00 | - | - | 3593.00 | - | - | - | - | - | - | 1229.00 | - | - | - | - | ||
GALACTURONIC ACID (CAS# 91510-62-2); (M+NA)+[-H2O] | 1013.00 | - | - | 1825.00 | - | - | - | - | 1910.00 | - | 1242.00 | 1447.00 | 1063.00 | 1948.00 | - | ||
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+ | - | - | - | - | - | - | - | - | - | 5926.00 | - | - | - | - | - | ||
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+[-H2O] | 37625.00 | 48290.00 | 49400.00 | 29580.00 | 36832.00 | 43024.00 | 47435.00 | 39999.00 | 44766.00 | 41882.00 | 47112.00 | 54677.00 | 58600.00 | 50940.00 | 63035.00 | ||
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+ | - | - | - | - | - | - | - | 31049.00 | - | - | 53037.00 | - | - | - | - | ||
GDPGLUCOSE (CAS# ); (M+NA)+ | 1049.00 | - | - | - | - | - | 1292.00 | - | - | 1350.00 | - | - | - | - | - | ||
GDPMANNOSE (CAS# ); (M+H)+ | 1425.00 | - | 1623.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | 2760.00 | - | - | - | ||
GLUCOSE (CAS# 50-99-7); (M+NA)+ | 1140.00 | - | - | 3593.00 | - | - | - | - | - | - | 1229.00 | - | - | - | - | ||
GLUTAMATE (CAS# 56-86-0); (M+H)+ | - | 29655.00 | 14890.00 | - | 9985.00 | - | - | - | - | 1423.00 | - | - | 12777.00 | - | - | ||
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] | 268180.00 | 31772.00 | 291916.00 | 19872.00 | 286445.00 | 37706.00 | 135012.00 | 111062.00 | 125106.00 | 93324.00 | 81853.00 | 291820.00 | 191710.00 | 253884.00 | 14216.00 | ||
GLUTAMINE (CAS# 56-85-9); (M+NA)+ | - | 3641.00 | - | - | - | - | - | - | 2122.00 | - | - | - | - | - | - | ||
GLUTATHIONE (CAS# 27025-41-8); (M+H)+ | 770367.00 | 653505.00 | 578189.00 | 413005.00 | 579205.00 | 771523.00 | 573514.00 | 814682.00 | 643549.00 | 824597.00 | 595916.00 | 671404.00 | 629261.00 | 479366.00 | 623001.00 | ||
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2 | - | 509135.00 | 317017.00 | - | - | - | - | - | - | - | - | 413239.00 | 361395.00 | - | 336113.00 | ||
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O] | - | - | - | - | - | 3484.00 | 5779.00 | 3280.00 | - | - | 6723.00 | - | 2417.00 | 3310.00 | - | ||
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O] | - | - | 3033.00 | - | 5831.00 | - | 6340.00 | - | 4018.00 | - | - | 5210.00 | 3117.00 | - | - | ||
GUANINE (CAS# 73-40-5); (M+H)+ | - | - | - | - | 138696.00 | - | 94704.00 | 97653.00 | 98219.00 | - | - | 102807.00 | 94319.00 | - | 99260.00 | ||
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (2M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | 1452.00 | - | - | ||
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M+H)+ | 31206.00 | - | 16555.00 | 37384.00 | 31624.00 | 4425.00 | 3253.00 | 5334.00 | 12283.00 | 6604.00 | 9192.00 | 24585.00 | 16634.00 | 22640.00 | 7462.00 | ||
GUANOSINE (CAS# 118-00-3); (M+H)+ | 306106.00 | 157298.00 | 218233.00 | 291597.00 | 176715.00 | 197673.00 | 288952.00 | 230865.00 | 291455.00 | 330076.00 | 146299.00 | 169361.00 | 192035.00 | 169878.00 | 168309.00 | ||
GUANOSINE (CAS# 118-00-3); (M+NA)+ | 25437.00 | - | 19482.00 | - | - | 34013.00 | 64049.00 | - | - | - | 31142.00 | - | - | - | - | ||
HIPPURATE (CAS# 495-69-2); (M+NA)+ | - | - | - | 1717.00 | - | - | - | - | - | - | - | - | - | 3132.00 | - | ||
HOMOVANILLATE (CAS# 306-08-1); (M+H)+ | - | - | - | - | - | 5070.00 | - | 8452.00 | - | - | - | - | - | - | - | ||
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+ | - | - | - | - | 4019.00 | - | - | - | - | - | - | - | - | - | - | ||
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+ | - | - | 1888.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ | - | - | - | - | - | 10262.00 | - | - | - | - | - | - | - | - | - | ||
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+ | - | 9236.00 | - | 9416.00 | - | - | 12045.00 | 12777.00 | 11642.00 | - | - | 10906.00 | - | 8780.00 | - | ||
INOSINE (CAS# 58-63-9); (M+H)+ | 174122.00 | - | 60469.00 | 85290.00 | 143778.00 | - | 11110.00 | 12060.00 | - | - | 34039.00 | 106084.00 | 35868.00 | 96706.00 | - | ||
INOSINE (CAS# 58-63-9); (M+NA)+ | 327018.00 | 95548.00 | 196557.00 | 282430.00 | 365456.00 | 63281.00 | 97675.00 | 97836.00 | 101953.00 | 237057.00 | 152213.00 | 760444.00 | 137189.00 | 236025.00 | 112165.00 | ||
ISOLEUCINE (CAS# 73-32-5); (M+H)+ | 16700000.00 | 14400000.00 | 15900000.00 | 16500000.00 | 14700000.00 | 13500000.00 | 13400000.00 | 12900000.00 | 13900000.00 | 14200000.00 | 14900000.00 | 14300000.00 | 13100000.00 | 14400000.00 | 13300000.00 | ||
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ | 5878.00 | 4090.00 | 7789.00 | 4801.00 | 7217.00 | 4642.00 | 4964.00 | 3706.00 | 5081.00 | 7532.00 | 7051.00 | 3845.00 | 3759.00 | 3769.00 | 5630.00 | ||
KYNURENINE (CAS# 343-65-7); (M+H)+ | 348614.00 | - | 13712.00 | 16532.00 | 18027.00 | 100328.00 | 17793.00 | 6526.00 | 18400.00 | 12854.00 | 166126.00 | 11709.00 | 13830.00 | 1971.00 | 17286.00 | ||
KYNURENINE (CAS# 343-65-7); (M+NA)+ | 40438.00 | - | - | - | - | 11421.00 | - | - | - | - | 21236.00 | - | - | - | - | ||
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | 39791.00 | - | - | - | ||
L-ARGININE (CAS# 74-79-3); (M+H)+ | 7532.00 | 18530.00 | 7570.00 | 110350.00 | - | - | 77822.00 | 104827.00 | - | - | - | - | - | 174575.00 | - | ||
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+ | - | - | - | - | - | 13490.00 | - | - | - | - | - | - | - | - | 4643.00 | ||
L-CARNITINE (CAS# 541-15-1); (M+H)+ | 5353.00 | 15312.00 | 7271.00 | 6089.00 | 5086.00 | 7321.00 | 5013.00 | 5115.00 | 4033.00 | 2267.00 | 6434.00 | 5884.00 | 4376.00 | 6642.00 | 8860.00 | ||
LEUCINE (CAS# 328-39-2); (M+H)+ | 16700000.00 | 14500000.00 | 15900000.00 | 16500000.00 | 14700000.00 | 13500000.00 | 13400000.00 | 12900000.00 | 13900000.00 | 14200000.00 | 14900000.00 | 14300000.00 | 13100000.00 | 14400000.00 | 13300000.00 | ||
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+ | 3269.00 | - | - | - | - | - | - | - | 1142.00 | - | - | - | - | - | - | ||
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O] | 1265.00 | 1786.00 | - | - | 2254.00 | - | - | 10497.00 | 1414.00 | - | 5460.00 | - | 1993.00 | - | - | ||
L-HISTIDINE (CAS# 71-00-1); (M+H)+ | 48944.00 | 61104.00 | 31011.00 | 64174.00 | 34146.00 | 64666.00 | 70604.00 | 52348.00 | 47934.00 | 33662.00 | 48047.00 | 39252.00 | 45685.00 | 73364.00 | 45149.00 | ||
L-HISTIDINOL (CAS# 4836-52-6); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1253.00 | ||
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 5615.00 | ||
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ | 312025.00 | 182786.00 | 245104.00 | 225543.00 | 232776.00 | 209290.00 | 192187.00 | - | 214825.00 | 254930.00 | 255921.00 | 227349.00 | 220914.00 | 152910.00 | 241944.00 | ||
MALATE (CAS# 636-61-3); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | 1418.00 | - | - | - | ||
MELANIN (CAS# 8049-97-6); (M+H)+ | - | - | - | 20430.00 | 19687.00 | - | - | 27347.00 | - | 27410.00 | - | - | - | - | - | ||
METHIONINE (CAS# 63-68-3); (M+H)+ | 3812263.00 | 3083524.00 | 3518169.00 | 4074302.00 | 3440750.00 | 2589199.00 | 2697159.00 | 2678276.00 | 2853829.00 | 2699826.00 | 3098798.00 | 2700888.00 | 971033.00 | 2840376.00 | 2442666.00 | ||
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ | 1993.00 | - | - | 2197.00 | - | - | - | - | - | - | - | - | - | - | - | ||
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ | 30960.00 | 39631.00 | 20313.00 | 29973.00 | 35861.00 | 23618.00 | - | 19207.00 | - | - | 22794.00 | 32081.00 | 21112.00 | 15486.00 | 20334.00 | ||
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ | 1140.00 | - | - | - | - | - | - | - | - | - | 1229.00 | - | - | - | - | ||
N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+ | - | 6168.00 | - | 7324.00 | 2893.00 | - | 4358.00 | - | 2756.00 | 5423.00 | 2779.00 | 4356.00 | - | 1598.00 | - | ||
N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); (M+NA)+ | - | - | 5532.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H2O] | - | 5243.00 | 2644.00 | 1266.00 | - | - | 6158.00 | 1626.00 | - | - | - | - | - | - | 13330.00 | ||
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+ | 109337.00 | 21324.00 | 28023.00 | 22209.00 | 23990.00 | 74520.00 | 15805.00 | 14174.00 | 23841.00 | 13178.00 | 77678.00 | 25340.00 | 27366.00 | 21234.00 | 25138.00 | ||
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+[-H2O] | 31447.00 | - | - | 6088.00 | 6291.00 | 24729.00 | 20460.00 | 1680.00 | 9592.00 | 3382.00 | 23514.00 | 29372.00 | 10430.00 | 2939.00 | 9947.00 | ||
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ | 241874.00 | 40258.00 | 55877.00 | 63941.00 | 57123.00 | 202051.00 | 83002.00 | 68589.00 | 77464.00 | 77931.00 | 217930.00 | 61511.00 | 67208.00 | 58297.00 | 50773.00 | ||
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ | - | - | - | - | - | - | - | - | - | 4013.00 | - | - | - | - | - | ||
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ | 37464.00 | 16090.00 | 22711.00 | 30644.00 | 33540.00 | 20806.00 | 21451.00 | - | 19385.00 | 29767.00 | 22626.00 | 23818.00 | 23420.00 | 11685.00 | 18198.00 | ||
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ | - | 29655.00 | 17106.00 | 20228.00 | 13168.00 | - | - | - | 9060.00 | 2909.00 | - | 10383.00 | 12777.00 | - | - | ||
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] | - | 344213.00 | 298422.00 | 318679.00 | 297014.00 | 3892448.00 | 140642.00 | 172617.00 | 156104.00 | 99667.00 | 174101.00 | 302898.00 | 179399.00 | 253884.00 | 275269.00 | ||
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+ | - | - | - | 1861.00 | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+ | - | 7119.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2O] | - | 5243.00 | 2644.00 | 1266.00 | - | - | 4438.00 | 1626.00 | - | 1214.00 | - | - | - | - | 13330.00 | ||
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | 3433.00 | - | ||
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+ | - | 16698.00 | - | 34501.00 | - | - | - | - | - | - | - | - | - | - | - | ||
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | 38499.00 | - | ||
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ | 6043.00 | 3978.00 | 39863.00 | 5940.00 | 44545.00 | 47140.00 | 5151.00 | 26003.00 | 81496.00 | 42877.00 | 5883.00 | 2334.00 | 4787.00 | 79917.00 | 4522.00 | ||
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ | 15433.00 | - | 7663.00 | 7916.00 | 7977.00 | - | 7444.00 | 8007.00 | - | 10854.00 | 10667.00 | 9995.00 | 8768.00 | 5508.00 | 8878.00 | ||
N-ACETYLPUTRESCINE (CAS# 18233-70-0); (M+H)+ | 59794.00 | 56606.00 | 80640.00 | 72503.00 | 71352.00 | 113566.00 | 53811.00 | 74533.00 | 64118.00 | 62387.00 | 67293.00 | 64489.00 | 72312.00 | 88472.00 | 89422.00 | ||
NAD (CAS# 53-84-9); (M+2H)+2 | 11330.00 | 9226.00 | 9113.00 | 11952.00 | 9667.00 | - | 8261.00 | 8527.00 | 9514.00 | 4372.00 | 9387.00 | 12729.00 | 9178.00 | 10366.00 | 9355.00 | ||
NAD (CAS# 53-84-9); (M+H)+ | 137221.00 | 99948.00 | 90907.00 | 105011.00 | 81721.00 | 104239.00 | 108198.00 | 101767.00 | 117832.00 | 126488.00 | 115121.00 | 106749.00 | 108811.00 | 85061.00 | 106015.00 | ||
NAD (CAS# 53-84-9); (M+NA)+ | 8088.00 | 3762.00 | 6237.00 | 6346.00 | 5745.00 | 5011.00 | 12809.00 | 6400.00 | 11904.00 | 19711.00 | 9335.00 | 6107.00 | 6599.00 | 4004.00 | 6621.00 | ||
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ | - | - | - | 27813.00 | 32445.00 | - | - | - | - | - | - | - | - | 32053.00 | 1575.00 | ||
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+ | - | 7676.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ | 21314.00 | 14547.00 | 19437.00 | - | 25181.00 | 17347.00 | 23836.00 | 18497.00 | 13158.00 | 26961.00 | 11517.00 | 13631.00 | 17969.00 | 29927.00 | - | ||
NICOTINAMIDE (CAS# 98-92-0); (M+H)+ | 422140.00 | 106379.00 | 194091.00 | 141051.00 | 211668.00 | 119371.00 | 39932.00 | 24360.00 | 34885.00 | 14574.00 | 241966.00 | 207632.00 | 96016.00 | 187510.00 | 123177.00 | ||
NICOTINE (CAS# 54-11-5); (M+H)+ | 3743.00 | 16140.00 | - | - | - | 6499.00 | - | 15468.00 | - | - | 7568.00 | - | - | - | - | ||
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+ | - | 29655.00 | 15663.00 | - | 13168.00 | - | - | - | - | 2909.00 | - | - | 12777.00 | - | - | ||
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+ | - | - | - | 1861.00 | - | - | - | - | - | - | - | - | - | - | - | ||
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+ | - | 6052.00 | - | 4614.00 | - | - | - | 4861.00 | - | - | - | - | - | - | - | ||
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+ | 6401.00 | 19073.00 | - | 13261.00 | 6560.00 | 3726.00 | 8610.00 | 6328.00 | 9786.00 | - | 10710.00 | 10668.00 | - | 9793.00 | 3537.00 | ||
NORLEUCINE (CAS# 327-57-1); (M+H)+ | 16700000.00 | 14500000.00 | 15900000.00 | 16500000.00 | 14700000.00 | 13500000.00 | 13400000.00 | 12900000.00 | 13900000.00 | 14200000.00 | 14900000.00 | 14300000.00 | 13100000.00 | 14400000.00 | 13300000.00 | ||
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O] | 1607626.00 | 1183346.00 | 1409199.00 | 1350676.00 | 1382750.00 | 1963608.00 | 535761.00 | 1298638.00 | 1578111.00 | 1361208.00 | 1292378.00 | 1443813.00 | 1168236.00 | 1441738.00 | 1293006.00 | ||
NORVALINE (CAS# 6600-40-4); M+[-CO2H] | 751166.00 | 1081104.00 | 897105.00 | 987376.00 | 822953.00 | 663054.00 | 678840.00 | 693417.00 | 767315.00 | 620780.00 | 717443.00 | 697392.00 | 622566.00 | 795783.00 | 655573.00 | ||
NORVALINE (CAS# 6600-40-4); (M+H)+ | 1238664.00 | 1691214.00 | 1378051.00 | 2250537.00 | 1280793.00 | 1105354.00 | 1069552.00 | 1135869.00 | 1184788.00 | 923144.00 | 1185538.00 | 1192884.00 | 1015979.00 | 1410017.00 | 967619.00 | ||
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ | 119050.00 | 51733.00 | 54290.00 | 63642.00 | 57896.00 | 73146.00 | 48246.00 | 51250.00 | 59776.00 | 53179.00 | 90155.00 | 44786.00 | 57051.00 | 39927.00 | 41832.00 | ||
OLEIC ACID (CAS# 112-80-1); (M+NA)+ | 50464.00 | 53532.00 | 9802.00 | 54484.00 | 29660.00 | 200078.00 | 70941.00 | 426531.00 | 348389.00 | 60747.00 | 50216.00 | 308914.00 | 38326.00 | 318748.00 | 36157.00 | ||
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ | - | - | 14759.00 | 14504.00 | 23245.00 | - | 11724.00 | 11492.00 | 12254.00 | 10980.00 | - | 13410.00 | 13941.00 | 5513.00 | - | ||
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2 | - | 509135.00 | 317017.00 | - | - | - | - | - | - | - | - | 413239.00 | 361395.00 | - | 336113.00 | ||
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+ | 770367.00 | 653505.00 | 578189.00 | 413005.00 | 579205.00 | 771523.00 | 573514.00 | 814682.00 | 643549.00 | 824597.00 | 595916.00 | 671404.00 | 629261.00 | 479366.00 | 623001.00 | ||
PALATINOSE (CAS# 343336-76-5); (M+NA)+ | - | - | - | 1089.00 | - | - | - | - | - | - | - | 2760.00 | - | - | - | ||
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ | - | - | - | - | 1720.00 | 1902.00 | - | - | - | - | 2885.00 | - | 1908.00 | - | 2805.00 | ||
PANTOTHENATE (CAS# 79-83-4); (M+H)+ | - | - | - | - | 17230.00 | - | - | 17630.00 | - | 33263.00 | 23831.00 | - | 20107.00 | 10665.00 | - | ||
PANTOTHENATE (CAS# 79-83-4); (M+NA)+ | 97405.00 | 31896.00 | 57287.00 | 41736.00 | 36032.00 | 51785.00 | 79129.00 | 73875.00 | 60915.00 | 138669.00 | 73374.00 | 53327.00 | 60968.00 | 26165.00 | 44937.00 | ||
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ | 1193.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
PHENYLALANINE (CAS# 63-91-2); (M+H)+ | 530267.00 | 513943.00 | 455401.00 | 414205.00 | 659446.00 | 553378.00 | 535761.00 | 1298638.00 | 486772.00 | 1361208.00 | 381854.00 | 448426.00 | 1168236.00 | 1441738.00 | 1293006.00 | ||
PHENYLALANINE (CAS# 63-91-2); (M+NA)+ | - | 20226.00 | 15229.00 | 8867.00 | 21852.00 | 17648.00 | 17718.00 | - | 12049.00 | - | 12766.00 | 14574.00 | - | - | - | ||
PINITOL (CAS# 10284-63-6); (M+NA)+ | 1993.00 | - | - | 2197.00 | - | - | - | - | - | - | - | - | - | - | - | ||
PROLINE (CAS# 147-85-3); (M+H)+ | 1062695.00 | 1318204.00 | 997478.00 | 1071709.00 | 832208.00 | 643949.00 | 615297.00 | 575162.00 | 693705.00 | 458306.00 | 667524.00 | 762326.00 | 593364.00 | 854482.00 | 670914.00 | ||
PROLINE (CAS# 147-85-3); (M+NA)+ | 4781.00 | 15138.00 | 7849.00 | 13098.00 | - | - | - | - | 5431.00 | 5637.00 | 6196.00 | 4217.00 | 7332.00 | 5036.00 | 3078.00 | ||
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+ | - | - | - | - | - | 2834.00 | - | - | - | - | - | - | - | - | - | ||
PURINE (CAS# 120-73-0); (M+H)+ | 283573.00 | 1312319.00 | 301795.00 | 821158.00 | 344768.00 | 1078143.00 | 578133.00 | 474366.00 | 257328.00 | 817366.00 | 1002872.00 | 176380.00 | 279851.00 | 1294707.00 | 760430.00 | ||
PURINE (CAS# 120-73-0); (M+NA)+ | 18386.00 | 2821.00 | 3680.00 | - | - | 14477.00 | 5560.00 | 8861.00 | - | - | - | 7996.00 | 10841.00 | - | 5886.00 | ||
PUTRESCINE (CAS# 110-60-1); (M+H)+ | 8429.00 | 12981.00 | 10278.00 | 24371.00 | 6302.00 | 8028.00 | 18199.00 | 8600.00 | 29110.00 | 8414.00 | 12983.00 | 22096.00 | 5326.00 | 40161.00 | 4227.00 | ||
PYRIDOXAL (CAS# 66-72-8); (M+H)+ | 1783.00 | - | - | 3293.00 | - | - | - | 1051.00 | - | - | - | 1638.00 | - | - | - | ||
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O] | 12324.00 | - | - | 5468.00 | - | - | - | - | - | 2238.00 | 8611.00 | 6000.00 | - | - | - | ||
PYRIDOXINE (CAS# 65-23-6); (M+H)+ | - | - | - | - | - | 5639.00 | - | - | - | 9767.00 | 2377.00 | - | - | - | - | ||
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ | 30820.00 | 31164.00 | 39412.00 | 28893.00 | 30932.00 | 23425.00 | 40645.00 | 41397.00 | 25894.00 | 34032.00 | 81137.00 | 33609.00 | 25159.00 | 32144.00 | 19784.00 | ||
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ | 244665.00 | 90169.00 | 143188.00 | 94311.00 | 108072.00 | 145212.00 | 119401.00 | 111071.00 | 120699.00 | 175771.00 | 103416.00 | 118092.00 | 131022.00 | 49828.00 | 116895.00 | ||
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+ | 7016.00 | 43109.00 | 27311.00 | 52551.00 | 36532.00 | 47678.00 | 36298.00 | 38751.00 | 37332.00 | 41453.00 | 35301.00 | - | 38810.00 | 43861.00 | 17218.00 | ||
SARCOSINE (CAS# 107-97-1); (M+H)+ | - | - | - | - | - | 5561.00 | - | - | - | - | - | - | 6832.00 | - | - | ||
SERINE (CAS# 56-45-1); (M+H)+ | 17338.00 | 13143.00 | 18553.00 | 19180.00 | 12594.00 | 13342.00 | 13320.00 | 12476.00 | 14268.00 | - | 14429.00 | - | 10475.00 | 13790.00 | 12169.00 | ||
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ | 449424.00 | 1265683.00 | 749906.00 | 674441.00 | 4677124.00 | 248766.00 | 285041.00 | 269111.00 | 367618.00 | 2019397.00 | 316884.00 | 595978.00 | 430901.00 | 768964.00 | 780845.00 | ||
SPERMIDINE (CAS# 124-20-9); (M+H)+ | 119811.00 | 140040.00 | 159480.00 | 118939.00 | 224593.00 | 112631.00 | 61612.00 | 59429.00 | 13828.00 | 273489.00 | 74307.00 | 122041.00 | 104819.00 | 4430.00 | 13696.00 | ||
SUBERIC ACID (CAS# 505-48-6); (M+NA)+ | 2900.00 | - | 8823.00 | - | 3199.00 | 8445.00 | - | 23017.00 | - | 14037.00 | 6877.00 | 4123.00 | 3107.00 | 4898.00 | - | ||
SUCROSE (CAS# 57-50-1); (M+NA)+ | - | - | - | 1089.00 | - | - | - | - | - | - | - | 2760.00 | - | - | - | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+ | - | - | - | - | - | - | 3942.00 | - | - | - | - | - | - | - | - | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+ | 2342.00 | - | - | - | - | - | - | - | - | 1086.00 | - | - | - | - | - | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O] | - | - | - | - | - | - | - | - | - | 6606.00 | - | 1219.00 | - | - | - | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ | - | - | - | - | - | - | 1950.00 | - | - | - | - | - | - | - | - | ||
THIAMIN (CAS# 59-43-8); M+ | 37490.00 | 58874.00 | 51298.00 | 53721.00 | 40845.00 | 37832.00 | 40859.00 | 31559.00 | 44216.00 | 35087.00 | 41920.00 | 44300.00 | 41313.00 | 52578.00 | 39330.00 | ||
THREONINE (CAS# 72-19-5); (M+H)+[-H2O] | 58294.00 | 40836.00 | - | 51502.00 | 43940.00 | 43265.00 | 39079.00 | 36530.00 | 38930.00 | 30934.00 | 45386.00 | 39791.00 | 39434.00 | 40487.00 | 35905.00 | ||
THYMINE (CAS# 65-71-4); (M+H)+ | 3237.00 | - | - | - | - | - | - | - | - | - | 1860.00 | - | 2051.00 | - | 1112.00 | ||
THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+NA)+ | - | 5375.00 | - | 10206.00 | - | 10597.00 | 11864.00 | 6885.00 | - | - | 14585.00 | 4094.00 | - | 6085.00 | 9290.00 | ||
TRANS-3^-HYDROXYCOTININE (CAS# 34834-67-8); (M+NA)+ | - | - | 6671.00 | 1176.00 | - | - | - | - | - | - | - | - | 2035.00 | 2725.00 | 1388.00 | ||
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O] | - | - | - | 12394.00 | 3108.00 | - | - | - | - | - | - | - | - | - | - | ||
TRYPTAMINE (CAS# 61-54-1); (M+H)+ | - | - | - | - | - | - | - | - | - | - | 3283.00 | - | - | - | - | ||
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+NA)+ | 1603.00 | 4267.00 | 1479.00 | 3770.00 | 18459.00 | - | 20595.00 | 19441.00 | 20738.00 | 22438.00 | 6159.00 | 2321.00 | - | - | 13708.00 | ||
TRYPTOPHAN (CAS# 73-22-3); (M+H)+ | 3434914.00 | 2288888.00 | 3014201.00 | 2819378.00 | 2983440.00 | 2152232.00 | 2671421.00 | 2338645.00 | 2680172.00 | 3462234.00 | 2806992.00 | 2578814.00 | 2414530.00 | 1531647.00 | 2258688.00 | ||
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ | 1360452.00 | 1018384.00 | 1300441.00 | 1277420.00 | 1264666.00 | 969338.00 | 1414069.00 | 1329147.00 | 1220741.00 | 1759258.00 | 1250045.00 | 1169802.00 | 1043280.00 | 770149.00 | 1059487.00 | ||
TYROSINE (CAS# 60-18-4); (M+H)+ | 6002115.00 | 3902920.00 | 3358085.00 | 3126848.00 | 5126022.00 | 2017902.00 | 2654950.00 | 3957850.00 | 2884900.00 | 2599783.00 | 5063829.00 | 2462272.00 | 4313037.00 | 3454380.00 | 2130782.00 | ||
TYROSINE (CAS# 60-18-4); (M+NA)+ | - | - | - | - | - | - | - | - | - | 22464.00 | 22165.00 | - | - | - | - | ||
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+ | 3282.00 | 15398.00 | 15731.00 | 19871.00 | 11644.00 | 3399.00 | 32231.00 | 36369.00 | 25356.00 | 21977.00 | 4562.00 | 12629.00 | 9474.00 | 9021.00 | 23858.00 | ||
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 1706.00 | ||
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)+ | - | 1381.00 | 9483.00 | 10173.00 | - | - | 16562.00 | - | 13147.00 | 26229.00 | - | 8560.00 | - | - | 17002.00 | ||
URSODIOL (CAS# 128-13-2); (M+NA)+ | - | - | - | - | - | 354245.00 | 10621.00 | 3620.00 | - | - | - | - | - | - | - | ||
VALINE (CAS# 72-18-4); (M+H)+ | 1238664.00 | 1694747.00 | 1378051.00 | 2137953.00 | 1279531.00 | 1101732.00 | 1069552.00 | 1135869.00 | 1184788.00 | 923144.00 | 1185719.00 | 1293934.00 | 1013135.00 | 1409154.00 | 967619.00 | ||
VALINE (CAS# 72-18-4); (M+NA)+ | - | - | - | - | - | - | - | - | - | - | - | - | - | 2258.00 | - | ||
VITAMIN B12 (CAS# 68-19-9); (M+2H)+2 | - | - | - | - | 1854.00 | 1895.00 | - | 3038.00 | 2106.00 | - | 2100.00 | - | - | - | - | ||
VITAMIN B12 (CAS# 68-19-9); (M+2NA)+2 | - | 5411.00 | 7309.00 | - | 6477.00 | 12357.00 | 23207.00 | - | - | 34348.00 | - | 10011.00 | 10080.00 | 7343.00 | 5971.00 | ||
XANTHINE (CAS# 69-89-6); (M+H)+ | - | - | - | 31022.00 | - | - | - | - | - | 41087.00 | 25920.00 | - | - | 2606.00 | - | ||
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ | 6268148.00 | 1759280.00 | 6025213.00 | 5540730.00 | 5781374.00 | 5413091.00 | 5836791.00 | 5380901.00 | 5783493.00 | 7179219.00 | 6207770.00 | 4400587.00 | 5396116.00 | 4413215.00 | 5861981.00 |
Factors:
F1 | Cell Type:BS4 | Stimulation:IFN-G |
F2 | Cell Type:BS4 | Stimulation:IL-17A |
F3 | Cell Type:BS4 | Stimulation:TNF-alpha |
F4 | Cell Type:BS4 | Stimulation:TNF-alpha+IL-17A |
F5 | Cell Type:BS4 | Stimulation:Untreated |
F6 | Cell Type:HAHA | Stimulation:IFN-G |
F7 | Cell Type:HAHA | Stimulation:IL-17A |
F8 | Cell Type:HAHA | Stimulation:TNF-alpha |
F9 | Cell Type:HAHA | Stimulation:TNF-alpha+IL-17A |
F10 | Cell Type:HAHA | Stimulation:Untreated |
F11 | Cell Type:PAK | Stimulation:IFN-G |
F12 | Cell Type:PAK | Stimulation:IL-17A |
F13 | Cell Type:PAK | Stimulation:TNF-alpha |
F14 | Cell Type:PAK | Stimulation:TNF-alpha+IL-17A |
F15 | Cell Type:PAK | Stimulation:Untreated |
F16 | Cell Type:POOLED | Stimulation:POOLED |