Data for ST003291
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 |
|---|---|---|---|---|---|---|---|
| 1,2-Diarachidonoyl-sn-glycero-3-phosphoethanolamine | 79.40 | 283.07 | 208.50 | 373.63 | - | - | |
| 1,2-Didecanoyl-sn-glycero-3-phosphoethanolamine | 1894.83 | 5604.49 | 2558.90 | 3314.34 | - | 28.49 | |
| 1,2-Diheptadecanoyl-sn-glycero-3-phosphoethanolamine | 3544.44 | 10833.49 | 1423.40 | 6231.50 | 12383.25 | 17135.20 | |
| 1,2-Dihexanoyl-sn-glycero-3-phosphocholine | - | - | - | 30.43 | - | - | |
| 1,2-Dihexanoyl-sn-glycero-3-phosphoethanolamine | 391.60 | 773.49 | - | 69.76 | - | - | |
| 1,2-Dilauroyl-sn-glycero-3-phosphocholine | 1080.42 | 4902.59 | 1239.60 | 4985.88 | - | - | |
| 1,2-Dilauroyl-sn-glycero-3-phosphoethanolamine | - | 1245.65 | 36.75 | 287.92 | - | - | |
| 1,2-Dimyristoyl-sn-glycero-3-phosphocholine | 1262.40 | 21.87 | 3031.42 | 96.30 | - | 74.10 | |
| 1,2-Dimyristoyl-sn-glycero-3-phosphoethanolamine | 451.31 | 3735.39 | 501.21 | 1932.31 | - | - | |
| 1,2-Dioctanoyl-sn-glycero-3-phosphocholine | - | - | 724.21 | 211.93 | - | - | |
| 1,2-Dipalmitoleoyl-sn-glycero-3-phosphoethanolamine | - | 53.07 | 416.16 | 410.45 | - | - | |
| 1,2-Dipalmitoyl-sn-glycero-3-phosphocholine | 144637.47 | 234921.24 | 158121.87 | 250642.11 | 170653.62 | 242036.99 | |
| 1,2-Dipalmitoyl-sn-glycero-3-phosphoethanolamine | 2614.62 | 332.36 | 3972.89 | 487.22 | - | 137.23 | |
| 1,2-Dipentadecanoyl-sn-glycero-3-phosphoethanolamine | - | 559.46 | 123.99 | 605.50 | - | - | |
| 1,2-Distearoyl-sn-glycero-3-phosphoethanolamine | 1555.49 | 1443.36 | 1475.55 | 1878.08 | 496.13 | 1406.22 | |
| 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine | 13629.82 | 541.80 | 55253.59 | 225.73 | 590.84 | 1165.96 | |
| 1-Stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine | 6420.67 | 4487.63 | 18622.84 | 8924.42 | 1460.53 | 7341.84 | |
| 2,2,4-Tribromodiphenyl ether | 12771.36 | 10810.08 | - | - | - | - | |
| 2-Deoxyguanosine-5-diphosphate | - | - | 19.78 | - | - | - | |
| 5-Methyltetrahydrofolate | - | 17.26 | - | - | - | - | |
| 5-Methyltetrahydrofolic Acid | 25.98 | - | - | - | - | - | |
| AADALLLK or DIVGAVLK | 291.85 | 286.35 | 346.19 | 168.45 | - | - | |
| AAGHDGK | 873.64 | 171.37 | 5628.82 | 2725.68 | 5465.59 | 5146.95 | |
| Actinomycin | 1197.12 | 331.37 | 857.96 | 390.46 | 744.04 | 968.81 | |
| Aculeacin A | - | - | 422.64 | - | - | - | |
| Adenosine-3,5-Diphosphate | - | 10609.46 | - | - | 27847.54 | 9814.33 | |
| Adenosine-5-triphosphate | - | - | - | 40.65 | 7973.38 | 11863.82 | |
| Adenosine Diphosphate Ribose | - | 46.27 | - | - | - | - | |
| AEFVEVTK | 21.34 | 10.32 | 29.82 | 16.02 | - | - | |
| AFDEK | 172.16 | 54.46 | 192.26 | 148.12 | - | 10.35 | |
| alpha-Nicotinamide Adenine Dinucleotide Sacchatomyces Cerevi... | - | - | 5853.26 | 15052.90 | - | - | |
| Amentoflavone | - | - | 91.26 | - | - | - | |
| AMGYR | 23.31 | 38.36 | 17.70 | - | 24.22 | 14.38 | |
| Amphotericin | 63.96 | 75.01 | - | 36.22 | - | 35.52 | |
| ANELLINVK | 3150.66 | 4115.07 | 13737.51 | 10407.76 | - | - | |
| Angiotensin I | - | - | - | 23.45 | - | - | |
| Angiotensin II | - | 28.61 | - | 69.37 | - | 177.91 | |
| ANIDVK | - | - | 246.70 | 37.95 | - | - | |
| Antimycin A10 | - | 57.45 | - | 37.28 | - | - | |
| Antimycin A1b | 13843.25 | 2555.05 | 1521.88 | 2656.36 | - | - | |
| Antimycin A2b | 110.58 | 106.08 | 177.96 | 430.63 | 76.19 | 57.79 | |
| Antimycin A3 | 8046.54 | 124.82 | 2268.59 | 38.88 | - | - | |
| APNDFNLK | 18.93 | 27.35 | - | 17.58 | - | - | |
| Apramycin | - | - | - | - | - | 32.88 | |
| Astilbin | 40.61 | 33.83 | - | - | - | - | |
| ATEEQLK | 73.95 | 20.39 | 84.79 | - | - | - | |
| AWEVTVK | 83.95 | 163.88 | 186.02 | 192.29 | 541.96 | - | |
| AWSVAR | 88.21 | - | 106.40 | 89.07 | 63.30 | - | |
| Bacitracin A | 61.09 | 73.19 | - | 79.62 | - | - | |
| Bacitracin C | - | - | - | 28.25 | - | - | |
| beta-Nicotinamide Adenine Dinucleotide | - | - | - | - | 2407.27 | 13507.71 | |
| Biliverdin | 42.62 | 61.16 | 76.55 | 92.33 | 224.25 | 778.43 | |
| Bradykinin | - | - | - | 55.83 | - | - | |
| Cer 42:01 OH | - | 484.82 | - | 11795.10 | - | - | |
| Chartreusin | - | 48.13 | - | - | - | - | |
| Chenodeoxycholic Acid 3-Sulfate | - | 52.76 | - | - | - | - | |
| Clarithromycin | 19.44 | 1680.06 | 59.34 | 364.11 | - | - | |
| Coenzyme A | - | 18.06 | 17.15 | 27.27 | - | - | |
| Coenzyme Q10 | 838.75 | 1079.90 | 415.25 | 665.33 | 1033.34 | 4776.86 | |
| CsCsI3 | - | - | 10.07 | - | - | - | |
| CsCsI4NaI2 or NaCsI5NaI | - | - | 100.35 | 92.78 | - | - | |
| CsCsINaI2 or NaCsI2NaI | - | 106.71 | 22.91 | - | - | - | |
| CsNaI4 or NaCsINaI3 | - | - | 286.39 | 32.55 | 163.65 | 28.81 | |
| CsNaI5 or NaCsINaI4 | - | 74.51 | - | - | - | - | |
| Cyclosporin | - | 16.93 | - | - | - | - | |
| Cytidine-5-triphosphate | - | - | 57.82 | - | - | - | |
| Cytidine Diphosphate | - | - | 47.13 | 50.14 | 101.71 | 55.45 | |
| d7-Cholesterol Ester 18:1 | - | - | 155.18 | - | - | - | |
| d7-PA 15:0-18:1 | 1611.74 | 83.36 | 214.19 | 723.53 | - | - | |
| d7-PS 15:018:1 | - | 40.10 | - | 90.32 | - | - | |
| Daptomycin | - | - | - | 12.84 | - | - | |
| DDSPDLPK | 69.40 | 38.76 | 45.33 | 28.35 | 26.25 | 39.54 | |
| DFYELEPHK | 66.40 | 20.79 | 77.41 | 36.66 | 94.27 | 256.73 | |
| DHLVGR | 71.38 | - | - | 414.13 | - | - | |
| DIPVPKPK | - | 58.65 | - | 32.26 | - | - | |
| DVCK | 16.13 | 17.44 | 32.53 | 39.05 | - | - | |
| DYYFALAHTVR | - | - | 22.37 | - | - | - | |
| EALDFFAR | 163.27 | 25.56 | 41.57 | 24.00 | 37.79 | 39.27 | |
| EDLIAYLK | 607.76 | 323.59 | 119.56 | 151.73 | 514.89 | 1779.40 | |
| EELFR | 16.99 | 35.31 | 179.43 | 265.02 | - | 151.65 | |
| EETLMEYLENPK | - | 16.03 | 27.05 | 52.13 | 25.18 | - | |
| EIWGVEPSR | - | 53.27 | 143.11 | 108.66 | - | - | |
| Erythromycin A | - | 58.99 | - | 49.75 | 79.28 | - | |
| Erythromycin B | 404.11 | 91.34 | 53.94 | 99.09 | 22.30 | - | |
| EWTR | - | 16.54 | 20.13 | 30.57 | - | - | |
| EYK | - | 125.65 | 300.13 | 962.10 | 189.96 | 337.40 | |
| FAAYLER | 136.87 | 126.34 | - | 26.05 | 398.52 | - | |
| FGER or VYAR or DPVRNa | - | 22.75 | 16.42 | 23.91 | - | - | |
| Flavin Adenine Dinucleotide | 858.44 | 944.08 | - | - | - | - | |
| FLNR | - | - | 26.44 | 46.91 | - | - | |
| FSSDR | 65.41 | - | 209.95 | 498.56 | 527.83 | 749.52 | |
| Fullerene C60 | 33437.77 | 13025.50 | 39312.15 | 23736.52 | - | - | |
| Fullerene C70 | 239.47 | - | 1282.39 | 274.88 | 849.90 | 758.98 | |
| FVVPR | 822.55 | 388.01 | 134.39 | 750.30 | - | - | |
| FWGK | - | - | - | 37.81 | - | - | |
| GLAGVENVTELK | 1995.18 | 179.14 | 3972.59 | 2193.98 | - | - | |
| GlcCer 36:01 | - | 859.63 | - | - | - | - | |
| GlcCer 36:01 OH | 86.54 | 24.02 | - | - | - | - | |
| GlcCer 38:01 OH | - | - | 71.75 | - | 68.30 | 85.88 | |
| GlcCer 40:00 OH | 141.23 | 246.69 | 52.10 | 1129.03 | - | - | |
| GlcCer 40:01 OH | 42.47 | 450.82 | - | 63.83 | 64.85 | 160.74 | |
| GlcCer 42:00 OH | - | 109.65 | - | 48.92 | - | - | |
| GlcCer 42:01 OH | - | 115.99 | - | - | - | - | |
| GlcCer 42:02 OH | - | 38.84 | - | - | - | - | |
| GlcCer 42:03 OH | 101.56 | 105.40 | - | 135.08 | - | - | |
| GlcCer 42:04 OH | - | 207.28 | 248.58 | 154.49 | - | - | |
| GlcCer 43:01 OH | - | 207.39 | - | - | - | - | |
| GlcCer 43:02 OH | 63.87 | 295.98 | 84.37 | 96.77 | - | - | |
| GlcCer 44:00 OH | - | 111.28 | - | - | - | 26.14 | |
| GlcCer 44:01 OH | - | - | - | 314.61 | - | - | |
| GlcCer 44:03 OH | - | 52.64 | - | - | - | - | |
| GlcCer 44:04 OH | - | 805.70 | 72.01 | 113.28 | - | - | |
| GlcCer 46:01 | - | 12.05 | - | - | - | - | |
| GlcCer 46:04 OH | - | - | - | 56.05 | - | - | |
| GlcCer 46:05 OH | - | - | - | 127.02 | - | - | |
| Glycodeoxycholic Acid 3-Sulfate | 287.94 | 4140.65 | - | - | - | - | |
| GNPTVEVELTTEK | - | - | - | 18.14 | - | - | |
| GQIVGR | 37.53 | 56.66 | 100.19 | 62.18 | - | - | |
| Guanosine-5-monophosphate | - | 49.44 | - | - | - | - | |
| Guanosine Triphosphate | - | - | - | 21.04 | - | - | |
| GVFR | - | - | - | 36.64 | - | - | |
| GVIFYESHGK | 14.96 | 15.86 | - | 174.20 | - | - | |
| GVLHAVK | 1014.67 | 3503.94 | 6589.74 | 11580.41 | 5563.00 | 18526.80 | |
| GYNAQEYYDR | - | 212.09 | - | 26.45 | - | 27.52 | |
| Halosulfuron-methyl | 12.31 | - | - | - | - | - | |
| Hexakis1H,1H,4H-hexafluorobutyloxyphosphazene | - | - | - | 45.27 | - | - | |
| HLADLSK | - | 9.66 | - | - | - | - | |
| HLHFTLVK | - | 14.13 | - | - | - | - | |
| HLQIIYEINQR | - | 8.79 | - | - | - | - | |
| HLVDEPQNLIK | 222.90 | - | 28.86 | 17.40 | - | - | |
| HPEYAVSVLLR | - | - | 638.76 | 124.30 | - | - | |
| Hygromycin | - | 41.39 | 52.48 | - | 46.55 | 13.89 | |
| IATAIEK | - | 213.39 | 112.32 | 437.53 | - | - | |
| IFVQK | 127.64 | 122.37 | - | - | - | - | |
| IGDYAGIK | 15.08 | 41.73 | - | 53.35 | 30.62 | - | |
| IGSEVYHNLK | - | 30.38 | 14.95 | 18.21 | - | 70.74 | |
| IHSEILK | - | 40.54 | 59.23 | 403.58 | - | 284.32 | |
| Inosine Triphosphate | 153.50 | 39.04 | 23.43 | 20.05 | - | - | |
| IPELR | 112.45 | 50.16 | 65.20 | - | - | - | |
| Josamycin | - | 29.80 | 156.13 | 134.39 | - | 68.79 | |
| Kanamycin | 236.97 | 144.80 | 61.21 | 59.79 | - | - | |
| LDWDK | 227.02 | 52.48 | 27.01 | 269.69 | - | - | |
| Leucine Enkephalin | - | 16.94 | 56.19 | 47.09 | - | - | |
| Leucovorin | 34.20 | 57.27 | 14.76 | - | - | - | |
| Leukotriene C4 | 16.29 | 15.37 | 20.28 | - | - | - | |
| LEYK | 29.99 | 38.45 | 50.31 | 31.52 | - | - | |
| LGEYGFQNALIVR | 51.54 | 34.46 | 296.95 | 380.18 | - | - | |
| Lithocholyltaurine | - | - | 137.51 | 147.37 | 6309.67 | 2565.93 | |
| LLSYVDDEAFIR | - | - | 69.16 | 27.99 | - | - | |
| LNQLLR | 315.82 | 70.81 | - | 17.53 | - | - | |
| Loganin | - | 63.41 | 71.73 | 35.50 | - | - | |
| LPAPDEK | 7721.61 | 104.71 | 1197.15 | 218.01 | - | - | |
| LVNELTEFAK | 264.62 | 199.13 | 28483.89 | 18396.37 | 125931.68 | 99638.79 | |
| LVTDLTK | - | - | 38.42 | 2416.71 | 211.01 | 134.11 | |
| LVVSTQTALA | 23.46 | 223.44 | 28.77 | - | 223.54 | 77.92 | |
| LWSAK | - | - | - | 83.81 | - | - | |
| LysoPC 14:00:0 | 207.85 | 298.68 | - | - | - | - | |
| LysoPC 16:0 | 72072.90 | 128279.12 | 130943.13 | 150881.03 | 139280.01 | 98049.12 | |
| LysoPC 18:0 | 33579.68 | 47363.81 | 21344.58 | 36406.02 | 38331.39 | 41129.32 | |
| LysoPC 18:1 | 2795.95 | 24192.02 | 8871.89 | 20450.24 | 59875.43 | 31283.17 | |
| LysoPC 19:0 | 143.74 | - | - | - | - | - | |
| LysoPC 2-18:0 | - | - | 53456.03 | 66932.01 | - | - | |
| LysoPC P-18:0 | - | 306.37 | - | 859.76 | - | - | |
| Maltotriose | 59.40 | - | - | - | - | - | |
| MIIK Tryptic Peptides | 42.61 | 902.53 | 958.23 | 1097.01 | - | - | |
| Monensin A | 33.98 | 17.89 | 489.35 | 19.29 | - | - | |
| Monensin B | 43.91 | 63.99 | - | - | - | - | |
| Monensin C | 37.61 | 190.98 | 224.77 | 40.45 | - | - | |
| MSLVEEGAVK | 84.27 | 35.47 | 59.31 | 26.85 | - | - | |
| MVIR | 18993.08 | 26250.61 | 115.19 | 107.83 | - | - | |
| NaCsI3 or CsNaICsI2 | 43.57 | 33.92 | 24.14 | 31.50 | - | - | |
| NaCsI6 or CsCsI5NaI | 150.53 | 71.14 | 122.71 | 98.44 | - | - | |
| NADP | 29.82 | 19.90 | 28.93 | 18.89 | - | - | |
| NADPH | - | - | - | - | - | - | |
| NaNaI5 | - | - | 649.64 | 30.36 | 692.44 | 76.63 | |
| NaNaI6 | - | - | 70.96 | 36.05 | - | - | |
| Naringin | - | 35.53 | - | 309.96 | - | - | |
| Neomycin B | 18.16 | - | 80.70 | 18.35 | - | 15.65 | |
| NFNR | - | 63.08 | - | 24.82 | - | 103.60 | |
| NIATSGK | 49.38 | 131.93 | 118.46 | 358.76 | 200.02 | 70.83 | |
| Nicotinamide Hypoxanthine Dinucleotide | 26.36 | 37.65 | 31.36 | 45.01 | - | - | |
| Nicotinic Acid Adenine Dinucleotide Phosphate | - | 13.00 | 17.90 | - | - | - | |
| NLAENISR | - | 41.30 | 114.78 | 17.32 | - | - | |
| NNVVNTMR | 235.48 | 201.87 | 305.55 | 222.22 | 316.17 | 568.36 | |
| Nonactin | 2488.18 | 14679.10 | 3973.66 | 22127.13 | 521.94 | 333.91 | |
| NVATPR | 5356.23 | 3617.91 | 2246.53 | 1518.29 | 281.83 | 78.00 | |
| NVNDVIAPAFVK | - | 13.53 | - | - | - | - | |
| NVPLYK | - | - | 40.38 | - | - | 161.26 | |
| NYQEAK | 30.05 | 207.40 | 74.10 | 59.56 | 61.27 | 82.33 | |
| Nystatin | 323.27 | 456.22 | 15.17 | 715.35 | - | - | |
| Oxytocin | 232.10 | 93.15 | - | - | - | - | |
| PA 35:01 | 178.94 | 125.10 | 257.03 | 268.92 | - | - | |
| PA 35:02 | - | 35.30 | - | 108.15 | 2088.29 | 4502.56 | |
| PA 36:01 | 1594.65 | 1069.42 | 5036.92 | 6742.08 | 91222.50 | 107399.09 | |
| PA 36:02 | 2068.81 | 3648.02 | 72269.05 | 40251.73 | - | - | |
| PA 36:03 | 4386.40 | 4490.54 | 2563.23 | 8543.70 | 53238.90 | 72148.87 | |
| PA 36:04 | - | - | 16387.98 | 50787.77 | 4168.68 | 2351.57 | |
| PA 36:05 | 60.28 | 1296.54 | 482.12 | 1370.39 | 6069.82 | 10828.15 | |
| PA 38:02 | 77.81 | 284.26 | 68.74 | 77.36 | 93.76 | 218.66 | |
| PA 38:03 | 7342.65 | 78162.97 | 7855.14 | 4469.42 | 60176.65 | 70606.30 | |
| PA 38:04 | 11939.21 | 17786.12 | 11375.04 | 8755.39 | 11160.45 | 15266.90 | |
| PA 40:05 | 2448.10 | 11579.17 | 3770.37 | 2947.69 | 286.22 | 876.04 | |
| PA 40:06 | 13997.70 | 50651.89 | 34335.16 | 52696.77 | - | - | |
| PC 16:0E2:0 | 15904.86 | 36409.82 | - | - | - | - | |
| PC 16:116:1 del9-cis | 2061.93 | 1343.10 | 1758.16 | 1103.92 | 1236.72 | 736.14 | |
| PC 18:118:1 del9-trans | 104504.18 | 229914.45 | 254168.77 | 438204.79 | 121014.99 | 399539.57 | |
| PC 18:19Z16:0 | 56939.26 | 202876.23 | 182460.50 | 413509.81 | 333686.54 | 436488.47 | |
| PC 32:00 | 39388.70 | 153322.71 | - | 65.46 | - | - | |
| PC 32:01 | 21712.72 | 52982.22 | 55372.28 | 21725.73 | 87580.27 | 71792.42 | |
| PC 32:02 | - | - | - | - | - | - | |
| PC 34:00 | 10442.99 | 9938.67 | 18128.16 | 2068.40 | 197.92 | 1720.28 | |
| PC 34:01 | 59940.74 | 140688.23 | 46274.52 | 284914.76 | - | - | |
| PC 34:02 | 77506.10 | 216807.59 | 194308.75 | 458704.74 | 175006.29 | 538031.19 | |
| PC 34:03 | 618.90 | 4236.91 | 80735.69 | 87195.28 | 2782.90 | 16824.03 | |
| PC 34:04 | - | - | - | 22.97 | - | - | |
| PC 35:01 | 2503.19 | 2264.45 | 8048.23 | 1456.75 | 310.27 | - | |
| PC 35:02 | 2382.69 | 4621.53 | 1136.62 | 3296.17 | - | - | |
| PC 36:00 HETE | 31.59 | 56.71 | - | 34.85 | - | - | |
| PC 36:01 | 1768.53 | 5580.57 | - | - | - | - | |
| PC 36:01 HETE | 104.78 | 107.39 | 65.99 | 314.19 | 3714.68 | 954.22 | |
| PC 36:02 | 40445.19 | 39981.54 | 20173.57 | 26749.85 | 422895.46 | 252968.19 | |
| PC 36:02 HETE | 210.02 | 320.01 | 193.19 | 267.78 | 2208.11 | 701.19 | |
| PC 36:03 | 10520.58 | 63351.95 | 254612.76 | 249850.93 | - | - | |
| PC 36:03 HETE | 320.20 | - | 3585.94 | - | - | - | |
| PC 36:04 | 6735.74 | 12537.91 | 24003.00 | 23137.40 | 62616.30 | 36453.01 | |
| PC 36:04 HETE | 123.04 | 67.12 | 227.72 | 191.72 | - | - | |
| PC 36:05 | 10131.55 | 9262.10 | 17462.35 | 56362.65 | 6437.07 | - | |
| PC 38:02 | 232.66 | 5734.43 | 4441.24 | 6826.01 | 2219.53 | 2509.74 | |
| PC 38:03 | 3515.40 | 6338.60 | 4681.51 | 9686.71 | 1588.52 | 17422.18 | |
| PC 38:04 | 12382.77 | 25406.00 | 81491.99 | 48240.02 | 94810.83 | 28087.39 | |
| PC 38:05 | 9037.64 | 16940.00 | 8567.78 | 12356.88 | - | - | |
| PC 38:06 | 930.79 | 2691.29 | 895.99 | 581.79 | 338.18 | 6619.82 | |
| PC 40:04 | 505.60 | 1213.09 | 262.32 | 476.77 | - | 98.17 | |
| PC 40:05 | 380.27 | 6900.50 | 125.82 | 134.43 | - | - | |
| PC 40:06 | 198.81 | 238.78 | 105.06 | 110.31 | 1031.22 | 7720.29 | |
| PE 18:118:1del9-cis | 4621.33 | 4468.87 | 1710.25 | 4110.10 | 5549.43 | 4820.19 | |
| PE 32:01 | - | - | 36.05 | 396.65 | - | - | |
| PE 34:01 | 2267.36 | 96.64 | 67.34 | 393.18 | 286.98 | 336.50 | |
| PE 34:02 | 356.52 | 69.23 | 296.80 | 19.85 | 162.77 | 169.80 | |
| PE 34:03 | 97.36 | 280.14 | 28.54 | 80.75 | - | - | |
| PE 35:01 | 14445.21 | 10244.45 | 10534.72 | 61271.82 | - | - | |
| PE 35:02 | - | - | 157.00 | 146.93 | - | - | |
| PE 36:00 | - | - | 23.24 | 115.83 | - | 97.85 | |
| PE 36:01 | 8953.99 | 1040.85 | 3135.27 | 468.68 | - | 24.74 | |
| PE 36:02 | 1325.41 | 470.46 | 253.94 | 3478.60 | 55.26 | - | |
| PE 36:03 | 733.81 | 182.74 | 209.09 | 815.34 | 215.35 | - | |
| PE 36:04 | - | - | 79.30 | 71.86 | - | - | |
| PE 36:05 | 929.20 | 90.54 | 62.02 | 492.54 | - | - | |
| PE 37:02 | 89045.25 | 333841.70 | 111765.33 | 576894.89 | 493911.43 | 313702.51 | |
| PE 37:03 | 139.00 | 1731.07 | 593.85 | 988.53 | 5575.49 | 3141.68 | |
| PE 38:02 | 2990.28 | 1506.54 | 9067.67 | 2130.00 | 9286.68 | 2854.19 | |
| PE 38:03 | 1623.59 | 1107.13 | 163.24 | 1659.53 | 517.05 | 2377.69 | |
| PE 38:04 | 375.50 | 2380.68 | 431.54 | 1113.44 | 1640.29 | 1771.63 | |
| PE 38:04 HETE | 1210.20 | 4611.99 | 2345.41 | 4631.09 | - | - | |
| PE 38:05 | 436.40 | 2718.78 | 468.03 | 1186.70 | 3181.47 | 6145.16 | |
| PE 38:06 | 161.88 | 215.88 | 51.91 | 58.49 | 199.10 | 98.61 | |
| PE 38:06 HETE | 300.69 | 1768.78 | 885.52 | 1482.11 | 124.86 | 389.26 | |
| PE 39:02 | 91733.33 | 406783.55 | 100607.80 | 322132.95 | - | - | |
| PE 40:05 | 516.09 | 2054.50 | 958.78 | 2765.92 | - | - | |
| PE 40:06 | 93.89 | 853.13 | 1126.42 | 679.53 | - | 235.98 | |
| PE 40:07 | 3157.34 | 339.25 | 213.30 | 659.69 | - | 86.91 | |
| PE 42:08 | 36.10 | - | - | 276.52 | 24.23 | - | |
| PE 42:09 | - | 67.36 | 23.68 | 26.53 | - | 105.89 | |
| PE O-34:03 | 120.16 | - | - | - | - | - | |
| PE O-36:01 | - | 195.94 | - | 188.36 | - | - | |
| PE O-38:03 | - | - | - | - | - | - | |
| PE O-38:04 | 43.62 | - | 774.80 | 1424.95 | - | - | |
| PE O-38:05 | - | - | - | 62.91 | - | - | |
| PE O-38:06 | 27.06 | 56.69 | 37.44 | 47.80 | 29.22 | - | |
| PE O-40:06 | 174.46 | 187.70 | 512.28 | 421.21 | - | - | |
| PG 16:016:0-4-Me | - | 1491.10 | - | 126.80 | - | - | |
| Platelet-activating Factor | 3516.59 | 32345.63 | 42137.33 | 35594.53 | - | - | |
| Poly-DL-alanine10 | 39.66 | - | 19.14 | - | - | - | |
| Poly-DL-alanine11 | 28.27 | 71.59 | 20.32 | 147.35 | - | - | |
| Poly-DL-alanine12 | 47.12 | 85.18 | - | - | - | 14.12 | |
| Poly-DL-alanine13 | 28.80 | 36.07 | - | - | 267.88 | - | |
| Poly-DL-alanine14 | - | 21.78 | 611.26 | 469.19 | - | 185.96 | |
| Poly-DL-alanine15 | 47.75 | 8.58 | - | 22.80 | - | - | |
| Poly-DL-alanine16 | 66.78 | 245.28 | 79.34 | 35.94 | 28.72 | - | |
| Poly-DL-alanine17 | - | - | - | - | - | - | |
| Poly-DL-alanine20 | 54.47 | - | - | 35.59 | - | - | |
| Poly-DL-alanine21 | - | 87.18 | 51.06 | 54.04 | - | - | |
| Poly-DL-alanine22 | 6743.61 | 8620.51 | 5176.09 | 4499.33 | 40538.15 | 18593.83 | |
| Poly-DL-alanine26 | 2930.41 | 409.87 | - | - | - | - | |
| Poly-DL-alanine6 | 4055.76 | - | 23.43 | 102.37 | 68.91 | - | |
| Poly-DL-alanine7 | 16.31 | 178.25 | - | - | - | 32.91 | |
| Poly-DL-alanine8 | 14.25 | 53.17 | - | 35.29 | - | - | |
| Poly-DL-alanine9 | 441.95 | 232.84 | 52.65 | 44.87 | 66.33 | 20.70 | |
| Poly-glycine12 | - | - | - | 230.68 | - | - | |
| Poly-glycine13 | - | - | - | - | - | - | |
| Poly-glycine7 | - | 124.20 | 364.64 | 164.56 | - | - | |
| Poly-glycine8 | - | - | - | - | - | - | |
| Poly-glycine9 | 227.84 | 133.93 | 53.92 | 37.92 | - | - | |
| Polymyxin B | 167.97 | 432.27 | 37.79 | 95.01 | - | 61.76 | |
| Polymyxin B2 | - | - | - | 20.13 | - | - | |
| Polymyxin B3 | - | 71.15 | - | - | - | - | |
| Pregnenolone Sulfate | - | - | - | 69.42 | 159.57 | 46.42 | |
| Protoporphyrin | 108.88 | 471.59 | 2589.81 | 4548.52 | - | - | |
| PS 34:01 | - | 32.52 | - | - | - | - | |
| PS 36:00 | 22.12 | 1362.08 | 169.87 | 1565.74 | - | - | |
| PS 36:01 | 74.56 | 529.57 | 236.72 | 902.09 | 1323.46 | 3570.24 | |
| PS 36:02 | 121.39 | 98.23 | 173.84 | 950.25 | - | - | |
| PS 36:04 | - | - | 158.23 | 615.47 | - | - | |
| PS 37:01 | 96.33 | 65.76 | - | 76.20 | - | - | |
| PS 37:02 | 62.01 | 33.93 | 319.08 | 76.01 | - | 61.96 | |
| PS 37:04 | 639.00 | 7252.88 | 732.73 | 2995.53 | 2206.82 | 183.95 | |
| PS 38:01 | - | 251.83 | 99.38 | 667.80 | 72.20 | 194.46 | |
| PS 38:02 | 342.87 | 324.61 | 2005.38 | 1134.31 | - | - | |
| PS 38:03 | - | 81.09 | 62.37 | 631.49 | 170.73 | - | |
| PS 38:04 | 297.58 | 642.15 | 768.36 | 1026.47 | - | 318.46 | |
| PS 38:05 | 2786.41 | 67.65 | 260.44 | 419.24 | 300.94 | 257.68 | |
| PS 39:04 | 303.60 | 1595.96 | 706.87 | 1237.11 | - | - | |
| PS 40:01 | - | 72.13 | 27.76 | 382.08 | - | 313.78 | |
| PS 40:02 | - | 269.78 | - | 769.32 | - | - | |
| PS 40:03 | 58.74 | 312.37 | 34.14 | 175.58 | - | - | |
| PS 40:04 | 19.89 | - | 87.16 | 166.83 | - | - | |
| PS 40:05 | - | - | - | 35.39 | 478.19 | 43.60 | |
| PS 40:06 | 137.69 | 106.46 | - | 49.81 | 1435.21 | 472.92 | |
| PS 40:07 | 159.30 | 1087.95 | 97.15 | 147.23 | - | 1043.34 | |
| PS 40:08 | 43.38 | 293.23 | 239.20 | 319.66 | 44.28 | 873.20 | |
| PS 40:09 | 222.59 | 473.05 | 729.20 | 1286.08 | 30.86 | - | |
| PS 41:05 | 35.77 | 137.18 | 54.64 | 31.64 | - | 350.86 | |
| PS 41:06 | 245.72 | - | 224.77 | 208.96 | - | - | |
| PS 42:01 | - | - | 20.52 | 40.20 | 22.01 | - | |
| PS 42:02 | - | - | - | 230.27 | - | - | |
| PS 42:03 | - | - | - | 80.32 | - | - | |
| PS 42:05 | 360.98 | 87.19 | 344.53 | 402.15 | - | - | |
| PS 42:06 | - | 75.88 | - | - | - | - | |
| PS 42:07 | 42.70 | 107.53 | 29.54 | 353.45 | - | - | |
| PS 42:08 | 13.33 | - | - | 86.18 | - | - | |
| PS 42:09 | 23.74 | 117.17 | - | 36.06 | - | - | |
| PS 44:05 | 49.31 | 687.05 | - | - | - | - | |
| PS 44:07 | 16.80 | - | 29.44 | 28.60 | - | - | |
| PS 44:08 | - | 13.08 | 57.37 | - | - | - | |
| PS 44:10 | - | 783.44 | 20.23 | 1182.35 | - | 2615.38 | |
| PS O-35:02 | 14710.72 | 108657.27 | 31466.51 | 70888.70 | 46.38 | 20.23 | |
| QEPER | 23.04 | - | 40.54 | 37.09 | 34.19 | 107.68 | |
| QIIEQLSSGFFSPK | - | - | 309.89 | - | - | - | |
| QISVR | - | 9.83 | - | - | - | - | |
| Renin Substrate | 36.37 | 34.80 | 27.57 | 23.31 | - | 86.43 | |
| Reserpine | 117.97 | 34.75 | 112.51 | 127.54 | - | - | |
| Riboflavin-5-monophosphate | 25.38 | - | - | - | - | - | |
| Rifamixin | 91.97 | 51.36 | 56.71 | 77.40 | 34.23 | - | |
| Rifampicin | 65.13 | 51.33 | 36.11 | 55.14 | 37.34 | 36.55 | |
| Rifapentine | 148.24 | - | 74.06 | 41.99 | 52.08 | 95.47 | |
| Rotenone | 52.33 | 41.24 | - | - | - | - | |
| Roxithromycin | - | 21.07 | - | 40.25 | - | - | |
| Rutin | - | - | - | 47.50 | - | - | |
| S-Adenosyl-L-homocysteine | - | - | 16.31 | - | - | - | |
| S-Adenosyl-L-methionine | 31.01 | 30.95 | - | - | - | - | |
| Secologanin | - | - | - | 23.42 | - | - | |
| S-Hexyl-glutathione | - | - | 21.52 | 12.08 | - | - | |
| SISIVGSYVGNR | 163.92 | 165.52 | 542.28 | 332.48 | 732.22 | 379.01 | |
| SM 34:01 | 279248.13 | 337619.78 | 322957.32 | 357690.98 | 279255.22 | 359135.44 | |
| SM 35:01 | 1581.43 | 943.58 | 3357.72 | 1532.98 | 5414.49 | 4775.78 | |
| SM 36:01 | 27625.64 | 17826.31 | 29307.42 | 28687.29 | 31117.13 | 27939.20 | |
| SM 36:02 | 137.26 | 1106.12 | 553.39 | 208.86 | 90.36 | 734.09 | |
| SM 37:01 | 1794.30 | 100.88 | 428.52 | - | - | - | |
| SM 38:00 | - | 56.35 | - | 323.48 | - | - | |
| SM 38:01 | 12319.06 | 13953.05 | 13845.21 | 8757.97 | 14395.75 | 13569.60 | |
| SM 39:01 | 2811.64 | 843.09 | 3339.64 | 1416.36 | 61.50 | 36.38 | |
| SM 40:01 | 40434.26 | 45367.88 | 45740.31 | 50168.93 | 46999.08 | 37241.90 | |
| SM 40:02 | 1442.13 | 13526.98 | 1724.58 | 11583.23 | 8300.28 | 15550.71 | |
| SM 41:00 | - | - | 1471.41 | 2264.45 | - | 266.56 | |
| SM 41:01 | 3069.37 | 12168.32 | 7083.27 | 11571.31 | 8382.26 | 7387.53 | |
| SM 41:02 | 2374.20 | 11340.14 | 10367.61 | 15660.27 | 2906.62 | 2332.42 | |
| SM 42:00 | - | - | - | 2859.09 | - | - | |
| SM 42:01 | 58878.03 | 56815.30 | 75746.36 | 83685.39 | 71668.02 | 34723.03 | |
| SM 42:01 OH | 63.73 | 265.76 | 60.87 | 288.86 | 230.93 | - | |
| SM 42:02 | 42564.15 | 78191.80 | 54476.82 | 81266.60 | 111748.20 | 148074.64 | |
| SM 42:03 | 5108.18 | 17553.64 | 3970.88 | 17876.10 | 17812.41 | 58695.06 | |
| SM 42:04 | - | 111.79 | - | - | - | - | |
| SM 43:01 | 1194.21 | 655.65 | 7557.92 | 9050.05 | 608.00 | 689.20 | |
| SM 43:02 | - | 43.56 | 18896.46 | 26407.06 | - | 67.86 | |
| SM 44:01 | 2778.12 | 822.22 | 2147.07 | 2945.49 | 550.52 | - | |
| SM 44:02 | 653.13 | 1447.37 | 1552.35 | 1559.16 | 27.73 | 451.69 | |
| SM 44:03 | 3418.42 | 1065.25 | 401.24 | 1042.98 | - | - | |
| Sparfloxacin | - | - | 69.97 | 122.26 | - | - | |
| Streptomycin | - | 31.36 | 186.00 | 70.47 | 106.94 | 121.81 | |
| Substance P | 139.17 | - | 380.96 | 67.10 | 1147.10 | - | |
| Sulfolithocholic Acid | - | - | 6456.31 | 470.60 | - | - | |
| Surfactin 1 | - | 771.33 | - | 168.67 | - | 683.44 | |
| Surfactin 5 | - | - | 24.14 | 37.79 | - | - | |
| Surfactin A | - | - | - | - | - | - | |
| Surfactin B | - | - | - | 27.53 | 51.20 | 9.48 | |
| Surfactin C | - | - | 62.09 | - | 52.39 | - | |
| SVYDSR | 44.03 | 38.84 | - | 58.50 | - | 61.10 | |
| Taurocholic Acid 3-Sulfate | - | - | - | 18.54 | - | - | |
| Taurodeoxycholic Acid 3-Sulfate | 64.19 | - | 22.00 | 80.27 | - | 32.97 | |
| Tetracycline | - | - | - | 34.24 | - | - | |
| TFAEALR | 52.18 | - | - | - | - | - | |
| TGPNLHGLFGR | 86.64 | 23.32 | 42.46 | 64.01 | 133.90 | 62.73 | |
| TGQAPGFTYTDANK | - | 37.85 | 163.51 | 49.34 | 244.65 | 154.93 | |
| TGQIK | - | - | - | - | - | - | |
| Thiamine Pyrophosphate | - | 48.36 | - | - | - | - | |
| Thymidine-5-triphosphate | 122339.54 | 82608.47 | 114262.50 | 97645.79 | 15036.05 | 24087.02 | |
| Thyroxine | - | - | 358.64 | 3819.77 | - | - | |
| TIAQYAR | - | - | 14.18 | 34.10 | 21.66 | 51.22 | |
| TNFDAFPDK | 37.04 | 40.87 | 29.95 | 29.57 | - | - | |
| TNGITPR | 68.37 | 72.49 | 327.15 | 483.23 | - | - | |
| TQQHYYEK | 19.73 | - | 34.20 | 18.83 | 33.36 | - | |
| Trehalose-6-phosphate | - | - | - | - | 27.75 | - | |
| Trihexadecylpentadecylazanium | - | - | 1222.99 | 19.97 | - | - | |
| TVMENFVAFVDK | - | - | 105.21 | 97.44 | - | - | |
| TVMIGGK | 1092.94 | 1704.52 | 1116.83 | 745.85 | 418.55 | 374.78 | |
| Tylosin A | 2048.69 | 244.70 | 214.90 | 240.34 | - | - | |
| UltraMark 1122 | 24.78 | - | 22.79 | - | - | - | |
| UltraMark 821 | - | - | 14.33 | - | - | - | |
| Uridine Diphosphate Glucose | 46.37 | 35.06 | 80.16 | 45.63 | - | - | |
| Uridine Diphosphate-N-acetylgalactosamine | 20.43 | - | - | - | - | - | |
| VAAAFPGDVDR | - | 8.98 | - | - | - | - | |
| Valinomycin | 1075.60 | 170.94 | - | 123.47 | 80.86 | - | |
| VASLR | 57.41 | 72.73 | 55.42 | 29.05 | - | - | |
| VEDVDR | 87.71 | 163.86 | 127.55 | 111.99 | 39.24 | 43.35 | |
| VFADYEEYVK | 18.29 | 16.76 | 62.02 | 43.34 | - | 16.03 | |
| VIFLENYR | 2637.81 | 2753.19 | 4640.77 | 938.53 | - | - | |
| Vitamin B12 | - | - | 18.56 | - | - | - | |
| VLGIDGGEGK | 30.63 | 58.22 | 85.42 | 34.28 | - | 575.08 | |
| VLVDLER | - | 19.01 | - | 44.72 | - | - | |
| VLYPNDNFFEGK | 24.36 | 12.53 | - | - | - | 35.72 | |
| VNQIGTLSESIK | - | - | - | - | - | - | |
| VSALYK | 430.17 | 189.95 | - | - | - | - | |
| VSLAEK | 30.13 | 16.19 | - | 185.25 | - | - | |
| VVGLSTLPEIYEK | 1404.66 | 258.39 | 371.94 | 390.24 | 105.88 | - | |
| YDLDFK | 78.78 | 48.87 | 114.79 | 45.99 | 205.35 | 34.30 | |
| YEFGIFNQK | 639.50 | 71.44 | 209.56 | 517.05 | 1918.18 | 300.25 | |
| YGNPWEK | 21.62 | 53.16 | 27.19 | 80.06 | 48.70 | 109.22 | |
| YIPGTK | - | - | - | 52.23 | 145.10 | 575.15 | |
| YLYEIAR | 17.41 | 62.94 | 9.89 | 60.98 | - | - | |
| YVVDTSK | - | - | 54.54 | 32.69 | - | - |
Factors:
| F1 | Group:Atopic dermatitis | Skin Biopsy:baseline | Sample source:Skin Biopsy |
| F2 | Group:Atopic dermatitis | Skin Biopsy:healing | Sample source:Skin Biopsy |
| F3 | Group:Control | Skin Biopsy:baseline | Sample source:Skin Biopsy |
| F4 | Group:Control | Skin Biopsy:healing | Sample source:Skin Biopsy |
| F5 | Group:Jobs | Skin Biopsy:baseline | Sample source:Skin Biopsy |
| F6 | Group:Jobs | Skin Biopsy:healing | Sample source:Skin Biopsy |
