Data for ST000694
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ | - | 1738.00 | - | - | 4777.50 | 5192.00 | |||
| 11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+ | - | - | - | - | 1231.00 | - | |||
| 11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+ | 11087.00 | 2894.00 | - | 8438.25 | - | - | |||
| 1-(4-HYDROXYPHENYL)-2-AMINOETHANOL (CAS# 104-14-3); (M+H)+[-... | - | - | - | - | 12367.00 | - | |||
| 16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ | 1100.00 | - | - | 3468.00 | 12600.67 | - | |||
| 16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ | 75981.60 | 13529.20 | 75379.43 | 74848.43 | 40577.50 | 58512.44 | |||
| 16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ | 984703.88 | 284943.38 | 1227998.12 | 1146863.78 | 471336.56 | 1044701.33 | |||
| 17BETA-HYDROXYANDROSTAN-3-ONE (CAS# 521-18-6); (M+NA)+ | 5854.00 | 9428.25 | 8376.20 | 5366.00 | 5717.20 | 7275.67 | |||
| 18:0 LYSO-PE (CAS# 69747-55-3); (2M+H)+ | 1278.00 | - | - | - | - | - | |||
| 18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+ | - | 14609.00 | 8459.00 | 11448.00 | 16402.75 | - | |||
| 18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+ | - | 29530.00 | - | 36242.00 | 43240.00 | - | |||
| 1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ | 22191.40 | 7893.40 | 12573.00 | 22152.14 | 14218.67 | 8514.33 | |||
| 1-METHYLADENOSINE (CAS# 15763-06-1); (M+NA)+ | - | 4920.00 | - | - | 71418.00 | 23558.00 | |||
| 1-METHYLNICOTINAMIDE (CAS# ); M+ | - | - | - | - | - | 28540.00 | |||
| 1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+ | - | 10058.00 | - | - | - | - | |||
| 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+ | 4287.00 | - | - | - | 38124.00 | 2039.00 | |||
| 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O] | 391194.17 | 69682.80 | 134142.86 | 76760.00 | 150024.17 | 99047.67 | |||
| 1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ | 522774.75 | 734707.75 | 180206.88 | 150935.33 | 1738529.22 | 389538.78 | |||
| 20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ | - | 5326.00 | - | - | - | - | |||
| 20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ | 6552.71 | 5602.00 | 8615.17 | 6671.00 | 5244.83 | 4827.00 | |||
| 24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ | 1111.00 | - | - | - | 22949.00 | - | |||
| 25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+NA)+ | - | - | 28937.00 | 16378.00 | - | 20444.00 | |||
| (2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+H)+ | - | - | - | - | 31670.00 | 8044.00 | |||
| (2-AMINOETHYL)PHOSPHONATE (CAS# 2041-14-7); (M+NA)+ | - | 16566.00 | 20403.50 | 2269.00 | 7641.00 | 8050.00 | |||
| 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+ | 2845.00 | - | - | - | - | 19062.00 | |||
| 2^-DEOXYGUANOSINE (CAS# 961-07-9); (2M+H)+ | - | - | 15048.00 | - | 8426.00 | - | |||
| 2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ | - | 94233.67 | 172400.67 | 57304.50 | 338059.89 | 137068.00 | |||
| 2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+NA)+ | - | 37796.33 | 48797.75 | 8513.33 | 65337.67 | 86371.25 | |||
| 2^-DEOXYINOSINE (CAS# 890-38-0); (2M+NA)+ | - | 123286.00 | 123464.00 | - | 484245.00 | 255715.67 | |||
| 2^-DEOXYINOSINE (CAS# 890-38-0); (M+H)+ | - | 2713.00 | 51160.00 | - | 23646.00 | 13530.00 | |||
| 2^-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+ | 54403.00 | 260959.50 | 208558.25 | 137178.75 | 250332.67 | 178593.17 | |||
| 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M+H)+... | - | - | 1782.50 | - | - | 1193.00 | |||
| 2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M+NA)... | - | - | 1770.00 | - | - | - | |||
| 2-HYDROXYBUTYRATE (CAS# ); (M+NA)+ | 2957.00 | 8545.00 | - | 1584.00 | 4379.00 | 5460.50 | |||
| 2-HYDROXYPYRIDINE (CAS# 142-08-5); (M+H)+ | 4494.00 | 14395.00 | 4652.00 | 1046.00 | 3454.00 | 9996.00 | |||
| 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+ | - | 11024.00 | 6529.00 | - | 5870.00 | 1829.00 | |||
| 2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] | 54357.00 | 19514.50 | 44437.57 | 81996.83 | 26643.12 | 49555.17 | |||
| 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)+ | - | - | 2205.00 | - | 1165.00 | - | |||
| 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+ | - | - | 8701.50 | - | 39839.80 | 41594.00 | |||
| 3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+ | - | 3394.00 | - | - | - | 2529.00 | |||
| 3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] | - | - | - | - | 1855.00 | - | |||
| 3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+ | - | - | - | - | 2404.50 | - | |||
| 3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (M+NA)+ | 2873.00 | - | - | - | - | - | |||
| 3^-CMP (CAS# 63-37-6); (M+H)+ | 7721.60 | 5125.00 | 2093.33 | 6184.00 | - | 5009.25 | |||
| 3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+H)+[-H2O] | - | 14966.00 | - | - | - | 3542.33 | |||
| 3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+NA)+ | - | - | - | 1677.00 | - | - | |||
| 3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+ | 46876.57 | 46191.17 | 50025.71 | 50370.40 | 32061.00 | 62373.33 | |||
| 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+ | - | 18193.00 | - | - | - | - | |||
| 3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+ | - | - | - | - | 9272.00 | 2413.00 | |||
| 3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O] | 25882.00 | 58758.00 | - | - | 3884.00 | - | |||
| 3-HYDROXYPROPANOATE (CAS# 503-66-2); (M+NA)+ | 7366.00 | 6619.00 | 11677.33 | 6216.00 | 3866.00 | 3363.67 | |||
| 3-METHOXY-4-HYDROXYMANDELATE (CAS# 55-10-7); (M+NA)+ | 1365.00 | - | - | - | - | - | |||
| 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+ | - | 11024.00 | 5894.50 | - | 4614.00 | 1829.00 | |||
| 3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+ | - | - | - | 7043.00 | - | - | |||
| 3-METHYLADENINE (CAS# 5142-23-4); (M+H)+ | 3175.25 | 14286.50 | 7598.00 | 4690.00 | 24088.40 | 6568.67 | |||
| 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+ | 2197.00 | 2313.33 | 1501.00 | 2745.00 | 2471.00 | 2550.50 | |||
| 3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M+H)+ | - | - | 7396.67 | 9851.00 | - | 97718.00 | |||
| 4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+ | - | 6477.00 | - | - | - | - | |||
| 4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ | - | 15096.00 | - | - | - | 1456.00 | |||
| 4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M+NA)+ | - | 5171.00 | - | - | - | - | |||
| 4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+ | 12812.00 | 10235.00 | 2380.33 | 9098.00 | 20158.75 | 1851.00 | |||
| 4-COUMARATE (CAS# 501-98-4); (M+H)+ | 1058.00 | - | - | - | - | - | |||
| 4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O] | 1068.00 | - | - | - | 1185.00 | - | |||
| 4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+ | 48661.25 | 14715.67 | 27688.00 | 49011.67 | 30416.00 | 25658.00 | |||
| 4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 4... | 30395.17 | 56296.40 | 101785.25 | 16468.12 | 154576.00 | 89183.29 | |||
| 4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0); (M+H)+[... | 3004.00 | 15348.67 | 13044.00 | 3520.00 | 22936.38 | 9569.00 | |||
| 4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H... | - | - | - | 9386.00 | - | - | |||
| 4-PYRIDOXATE (CAS# 82-82-6); (M+H)+ | - | 29528.00 | 24560.60 | 17728.50 | 75451.67 | 36606.33 | |||
| 4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O] | 4829.00 | 7284.00 | 3342.67 | - | 12038.67 | 2421.50 | |||
| 4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+ | - | 11626.40 | 12275.00 | 13546.00 | 8987.60 | 7549.00 | |||
| 5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] | 8022.00 | 2687.00 | - | 10073.00 | 6048.60 | - | |||
| 5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ | 825813.25 | 1317026.50 | 1146979.00 | 1390718.56 | 1321212.86 | 1731073.14 | |||
| 5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+H)+ | - | - | - | 1830.00 | - | - | |||
| 5-HYDROXYMETHYLURACIL (CAS# 4433-40-3); (M+H)+ | - | - | - | 1221.00 | - | - | |||
| 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+ | - | 85745.00 | - | - | - | - | |||
| 5-METHYLCYTOSINE (CAS# 554-01-8); (2M+H)+ | 48585.00 | 30388.00 | 21355.00 | 22146.67 | - | 3811.50 | |||
| 5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+ | 7933.00 | 1215.00 | 5065.75 | - | 2672.00 | - | |||
| 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ | 13725.67 | 36646.62 | 40893.75 | 24698.50 | 42835.25 | 39247.00 | |||
| 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ | 22670.00 | 57837.00 | 42533.60 | 35138.67 | 53001.71 | 50245.12 | |||
| 5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ | 133627.33 | 125295.29 | 113112.57 | 114528.78 | 194524.56 | 75436.83 | |||
| 5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+ | 65254.00 | - | 48070.00 | - | - | 52392.00 | |||
| 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+ | 1713.00 | 5047.50 | 1358.50 | 3471.50 | 1490.00 | 2259.00 | |||
| 6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O] | - | - | - | 4751.00 | - | - | |||
| 6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M+H)+ | - | - | 5354.00 | - | 10399.50 | 3902.00 | |||
| ABRINE (CAS# 526-31-8); (M+H)+ | 1571.00 | 2265.50 | 2461.33 | 5621.00 | 2816.00 | 3255.00 | |||
| ABRINE (CAS# 526-31-8); (M+NA)+ | - | 1491.00 | - | - | - | - | |||
| ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+H)+ | - | 197708.00 | - | - | - | - | |||
| ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+ | - | 361501.00 | - | - | - | - | |||
| ACETYLCHOLINE (CAS# 51-84-3); M+ | - | - | 1239.00 | - | 14433.33 | 10074.00 | |||
| ADENINE (CAS# 73-24-5); (M+H)+ | 22537.50 | 50724.00 | 12160.00 | 33906.00 | 30066.50 | 14520.00 | |||
| ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+ | 10503.33 | 9224.50 | 9711.00 | 9012.80 | 3042.50 | 9447.40 | |||
| ADENOSINE (CAS# 58-61-7); (M+H)+ | - | 94233.67 | 172400.67 | 57304.50 | 332352.22 | 137068.00 | |||
| ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+ | - | 11024.00 | 5894.50 | - | 4614.00 | 1829.00 | |||
| ADP-RIBOSE (CAS# ); (M+H)+[-H2O] | - | - | 3058.33 | 3831.00 | 21783.00 | 9035.00 | |||
| AGMATINE (CAS# 2482-00-0); (M+H)+ | 8197.00 | - | 2908.00 | - | - | - | |||
| AHBA (CAS# 76045-71-1); (M+H)+ | 23862.00 | 44631.00 | 41521.57 | 20099.71 | 55377.11 | 29537.80 | |||
| ALANINE (CAS# 56-41-7); (2M+H)+[-H2O] | 44176.00 | - | - | 61619.00 | - | - | |||
| ALANINE (CAS# 56-41-7); (M+H)+ | 6016.00 | 2429.00 | 11791.00 | - | 5752.00 | 10103.00 | |||
| ALDOSTERONE (CAS# 52-39-1); (M+H)+[-H2O] | - | - | 7900.00 | - | 11237.00 | - | |||
| ALLANTOIN (CAS# 97-59-6); (M+H)+ | 5333.40 | 3800.00 | 6252.00 | 6072.33 | 3164.67 | 6560.25 | |||
| ALLANTOIN (CAS# 97-59-6); (M+NA)+ | 5391.00 | 3670.00 | 2012.00 | - | 3727.00 | - | |||
| ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O] | - | 18193.00 | - | - | - | - | |||
| ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+ | 104729.50 | 85540.88 | 81729.00 | 82520.33 | 78646.44 | 74460.33 | |||
| ANDROSTERONE (CAS# 53-41-8); (M+NA)+ | 2020.00 | - | - | 1291.00 | - | - | |||
| ARABINOSE (CAS# 147-81-9); (M+NA)+ | 14693.33 | 15298.50 | 16633.80 | 25536.00 | 8871.50 | 8374.67 | |||
| ARACHIDIC ACID (CAS# 506-30-9); (M+NA)+ | - | - | - | - | 1293.00 | 1405.00 | |||
| ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O] | 404120.33 | 652145.00 | 51022.00 | 58488.00 | 183227.00 | 246361.00 | |||
| ASPARAGINE (CAS# 70-47-3); (M+H)+ | 2192.00 | 1407.00 | 8095.67 | 9866.00 | - | 50318.50 | |||
| ASPARAGINE (CAS# 70-47-3); (M+NA)+ | - | - | - | - | 3657.00 | 4258.00 | |||
| ASPARTATE (CAS# 56-84-8); (M+H)+ | - | 3101.00 | - | - | 4496.00 | 5515.33 | |||
| ASPARTATE (CAS# 56-84-8); (M+NA)+ | 3931.00 | 2251.50 | 1620.67 | - | 2002.67 | 2729.00 | |||
| AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O] | - | 14825.00 | - | - | 11049.80 | 19215.00 | |||
| AZELAIC ACID (CAS# 123-99-9); (M+NA)+ | 71650.62 | 137759.38 | 85310.43 | 58339.12 | 171577.89 | 101769.22 | |||
| BETA-ALANINE (CAS# 107-95-9); (M+H)+ | 24112.38 | 20323.20 | 14333.50 | 34297.43 | 6795.00 | 19541.62 | |||
| BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M+NA... | - | - | 1486.00 | - | 2578.50 | 4618.50 | |||
| BETAINE (CAS# 107-43-7); (M+H)+ | 826062.88 | 1316153.00 | 1158344.50 | 1393744.00 | 1520592.67 | 1745233.86 | |||
| BETAINE (CAS# 107-43-7); (M+NA)+ | 58597.12 | 39351.43 | 61655.17 | 71402.38 | 102156.67 | 65927.67 | |||
| BETA-MALTOSE (CAS# 69-79-4); (2M+NA)+ | 1056.00 | - | - | 14174.00 | - | - | |||
| BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ | 8347.00 | 27761.00 | 38074.00 | 11060.33 | - | 28612.00 | |||
| BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O] | 10564.33 | 6811.00 | - | 2469.00 | 1849.00 | 15861.00 | |||
| BILIVERDIN (CAS# 114-25-0); (M+H)+ | - | 9107.50 | 8161.50 | - | 11716.00 | 9826.50 | |||
| BILIVERDIN (CAS# 114-25-0); (M+NA)+ | - | - | 7831.00 | - | 9241.33 | 14721.50 | |||
| BIOTIN (CAS# 58-85-5); (2M+H)+ | - | - | - | - | - | 1604.00 | |||
| BIOTIN (CAS# 58-85-5); (M+NA)+ | - | - | - | - | 1382.00 | 1016.00 | |||
| BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ | 6446.50 | 4710.00 | 4835.00 | 6511.33 | 6642.00 | 5145.00 | |||
| BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ | 813194.25 | 781236.25 | 806808.62 | 793542.67 | 811559.00 | 810660.11 | |||
| BIS(3-AMINOPROPYL)AMINE OR CALINE (CAS# 56-18-8); (M+H)+ | - | - | - | - | 13091.00 | - | |||
| BIURET (CAS# 108-19-0); (M+H)+ | - | - | - | - | 235153.00 | - | |||
| BIURET (CAS# 108-19-0); (M+NA)+ | - | 1517.00 | 18148.00 | 6353.00 | 14510.00 | 9566.00 | |||
| BOC-A-(1-NAPHTHYLMETHYL)-DL-PRO-OH (CAS# 351002-65-8); (M+NA... | - | 7330.00 | - | - | - | - | |||
| BOC-HIS-OH (CAS# 17791-52-5); (M+H)+ | - | - | - | 1251.00 | - | - | |||
| BOC-PRO-OH (CAS# 15761-39-4); (2M+NA)+ | - | - | 5343.00 | - | - | 2284.00 | |||
| C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)... | 1932.00 | - | - | - | - | - | |||
| C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)... | 4958.00 | 2229.50 | 1807.00 | 3075.00 | 2765.00 | 3946.00 | |||
| CALCIDIOL (CAS# 19356-17-3); (M+NA)+ | - | 1946.00 | 24793.00 | - | - | 3020.00 | |||
| CARNOSINE (CAS# 305-84-0); (M+H)+ | 2322.00 | - | 9442.50 | 4420.00 | 1227.33 | 3289.25 | |||
| CARNOSINE (CAS# 305-84-0); (M+NA)+ | 2111.00 | - | - | - | - | - | |||
| CELLOBIOSE (CAS# 528-50-7); (M+NA)+ | 8334.50 | 27761.00 | 38074.00 | 11060.33 | - | 28612.00 | |||
| CHOLATE (CAS# 81-25-4); (2M+H)+ | 3056028.50 | 6018922.80 | 7316807.38 | 821133.50 | 2580210.89 | 3196736.62 | |||
| CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O] | 566588.67 | 1183546.20 | 1431475.12 | 169504.00 | 636242.14 | 696301.14 | |||
| CHOLATE (CAS# 81-25-4); (2M+NA)+ | 23141458.29 | 45326543.20 | 54986686.75 | 7766851.89 | 19908365.89 | 26866971.25 | |||
| CHOLATE (CAS# 81-25-4); (M+NA)+ | 12661056.00 | 8120995.00 | 15149052.88 | 9321682.22 | 8340399.56 | 11892009.89 | |||
| CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] | 8022.00 | 2687.00 | - | 10073.00 | 6048.60 | - | |||
| CHOLINE (CAS# 62-49-7); M+ | 70774.75 | 21235.50 | 15345.33 | 44094.50 | 5419.00 | 26761.50 | |||
| CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+ | 41964.50 | 17332.75 | 21648.20 | 28929.88 | - | 17207.86 | |||
| CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+ | 3921.50 | - | 3359.00 | 1980.00 | - | 5626.00 | |||
| CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+ | 8645.40 | 7269.17 | 4721.80 | 4827.29 | 9342.33 | 3157.00 | |||
| CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ | 4047786.00 | 4601845.50 | 4536696.00 | 4139991.00 | 3717027.78 | 4266408.56 | |||
| CITRATE (CAS# 77-92-9); (M+NA)+ | 28640.43 | 27940.00 | 27297.60 | 54451.57 | 10697.83 | 14425.40 | |||
| CITRULLINE (CAS# 372-75-8); (M+NA)+ | - | - | 22971.00 | 3465.50 | 39331.25 | 24608.80 | |||
| CMP (CAS# 63-37-6); (M+H)+ | 9283.00 | 4187.50 | 9121.00 | 7407.75 | 2044.00 | 5291.50 | |||
| CORTICOSTERONE (CAS# 50-22-6); (M+H)+ | - | - | - | - | 1231.00 | - | |||
| CORTICOSTERONE (CAS# 50-22-6); (M+NA)+ | 15462.00 | 2946.00 | 6102.00 | 7735.00 | - | - | |||
| CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+[-H2O] | - | - | - | - | 4668.00 | - | |||
| CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+ | - | 12673.00 | 15450.50 | - | 12377.00 | 8020.00 | |||
| CREATINE (CAS# 57-00-1); (M+H)+ | 930321.38 | 910144.00 | 544294.14 | 1174540.00 | 312191.60 | 782614.33 | |||
| CREATININE (CAS# 60-27-5); (M+NA)+ | - | - | - | 14572.50 | - | - | |||
| CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+H)+ | 14390.40 | 19387.33 | 10468.50 | 20165.75 | 12482.33 | 10755.00 | |||
| CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (2M+NA)+ | 14338.33 | 17906.00 | - | 14529.33 | - | 12856.00 | |||
| CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+H)+ | 195647.00 | 272322.00 | - | 316762.00 | - | 108350.50 | |||
| CREATININE-(GUANIDINO-13C) [ISTD] (CAS# ); (M+NA)+ | 34634.33 | 133603.50 | - | 64901.00 | 3710.00 | 78869.50 | |||
| CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O] | 29407.50 | - | - | 4978.00 | - | 18244.00 | |||
| CYSTINE (CAS# 56-89-3); (M+H)+ | 1559.00 | 4863.00 | - | - | - | - | |||
| CYSTINE (CAS# 56-89-3); (M+NA)+ | 8007.00 | - | 2527.00 | - | - | 2822.50 | |||
| CYTIDINE (CAS# 65-46-3); (2M+H)+ | 34436.00 | 7573.33 | 9107.50 | 17112.43 | 13325.17 | 9652.60 | |||
| CYTIDINE (CAS# 65-46-3); (M+H)+ | 12664.00 | 27065.75 | 30624.67 | 33760.00 | 48694.60 | 26172.25 | |||
| CYTOSINE (CAS# 71-30-7); (M+H)+ | 30432.67 | 26027.40 | 31725.60 | 20367.00 | 28955.33 | 43797.00 | |||
| CYTOSINE (CAS# 71-30-7); (M+NA)+ | 3971.00 | - | - | 5744.50 | - | - | |||
| DAMP (CAS# 653-63-4); (M+H)+ | - | 14558.33 | 19170.67 | 7426.00 | - | 11761.50 | |||
| D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ | 14542.83 | 15298.50 | 16633.80 | 25536.00 | 8871.50 | 8374.67 | |||
| DEBRISOQUIN (CAS# 581-88-4); (M+H)+ | 3476.67 | 5811.00 | 46388.67 | 3895.50 | 3360.00 | 5309.60 | |||
| DECANOATE (CAS# 334-48-5); (2M+NA)+ | 76700.00 | 87522.00 | - | 92002.00 | 84537.00 | 87042.80 | |||
| DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O] | 21093.00 | 15478.75 | 17663.00 | 11256.00 | - | 8442.00 | |||
| DEOXYADENOSINE (CAS# 16373-93-6); (M+H)+ | - | 132466.60 | 197882.00 | - | 156444.62 | 189434.33 | |||
| DEOXYADENOSINE (CAS# 16373-93-6); (M+NA)+ | - | 4453.00 | - | - | 12179.00 | - | |||
| DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+H)+ | 15107.75 | 18101.00 | 25825.50 | - | 24778.00 | 20704.00 | |||
| DEOXYCHOLIC ACID (CAS# 83-44-3); (2M+NA)+ | 260833.00 | 387392.00 | 654901.00 | 67106.50 | 422059.00 | 129295.80 | |||
| DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+ | - | 28097.00 | - | - | 3469.00 | - | |||
| DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+[-H2O] | 12819.00 | 15646.33 | 16380.00 | 5985.00 | 12020.50 | 9190.00 | |||
| DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+ | 1673171.38 | 1466802.75 | 3500948.62 | 457480.78 | 763057.56 | 810561.33 | |||
| DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+ | - | 23987.00 | 17550.00 | 4938.00 | 27013.00 | 134268.50 | |||
| DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+ | - | 11821.00 | - | - | 6271.00 | - | |||
| DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+ | 1757.00 | 29847.50 | 30634.33 | 5399.50 | 42422.00 | 23887.67 | |||
| DEOXYURIDINE (CAS# 951-78-0); (M+NA)+ | - | 4215.00 | - | - | 1213.00 | 1846.00 | |||
| DETHIOBIOTIN (CAS# 533-48-2); (2M+H)+ | 243854.29 | 36775.50 | 64631.50 | 132610.62 | 14061.00 | 55830.20 | |||
| DETHIOBIOTIN (CAS# 533-48-2); (2M+NA)+ | 107171.00 | - | - | - | - | - | |||
| DETHIOBIOTIN (CAS# 533-48-2); (M+H)+ | 86815.67 | - | 15624.00 | 85794.00 | - | - | |||
| D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+ | - | - | - | 1015.00 | - | - | |||
| D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O] | 138905.50 | 39831.50 | 156373.00 | - | 448839.00 | 96586.00 | |||
| D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+ | 5154.00 | - | 3456.00 | 4835.00 | - | 6669.00 | |||
| DGDP (CAS# 653-63-4); (M+H)+ | - | 14558.33 | 19170.67 | 7426.00 | - | 11761.50 | |||
| D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+ | 5154.00 | - | 3456.00 | 4835.00 | - | 6669.00 | |||
| D-GLUCURONOLACTONE (CAS# 32449-92-6); (M+NA)+ | 1240.00 | 1778.00 | - | - | - | - | |||
| DGMP (CAS# 902-04-5); (M+H)+ | 10463.00 | 8972.17 | 12322.00 | 8629.40 | 3175.00 | 9441.00 | |||
| DIETHANOLAMINE (CAS# 111-42-2); (M+NA)+ | 2293.00 | - | - | - | - | 3671.00 | |||
| DIETHYL 2-METHYL-3-OXOSUCCINATE (CAS# 759-65-9); (M+H)+ | - | - | 1377.00 | 1041.00 | - | - | |||
| DIETHYLSTILBESTROL (CAS# 56-53-1); (M+H)+ | - | - | - | - | 2038.00 | - | |||
| DIPHENHYDRAMINE (CAS# 147-24-0); (M+H)+ | - | 5163.00 | - | - | - | - | |||
| D-LYXOSE (CAS# 1114-34-7); (M+NA)+ | 14693.33 | 15298.50 | 16633.80 | 25536.00 | 6406.33 | 8374.67 | |||
| D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O] | 138905.50 | 39831.50 | 156373.00 | - | 448839.00 | 96586.00 | |||
| D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+ | 5154.00 | - | 3456.00 | 4835.00 | - | 6669.00 | |||
| D-ORNITHINE (CAS# 348-66-3); (M+H)+ | 3381.50 | - | - | 20027.00 | 1305.00 | - | |||
| D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O] | 1360.00 | 56472.00 | - | 3456.00 | - | 20044.00 | |||
| DUMP (CAS# 964-26-1); (M+H)+ | 12379.00 | 6861.00 | 16777.00 | 9849.33 | 22545.25 | 14370.00 | |||
| DUMP (CAS# 964-26-1); (M+NA)+ | - | 3789.67 | 4977.00 | - | 7748.33 | 16497.00 | |||
| ELAIDIC ACID (CAS# 112-79-8); (M+H)+ | 8630.80 | 7269.17 | 4721.80 | 4827.29 | 9342.33 | 3157.00 | |||
| ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ | 37185.33 | 35349.00 | 26696.71 | 39955.29 | 20145.14 | 26275.50 | |||
| EPIANDROSTERONE (CAS# 481-29-8); (M+H)+[-H2O] | - | - | 1289.00 | - | - | - | |||
| EPIANDROSTERONE (CAS# 481-29-8); (M+NA)+ | 5169.50 | 10800.50 | 8334.60 | 3602.00 | 6174.60 | 7863.40 | |||
| ERYTHRITOL (CAS# 149-32-6); (M+NA)+ | 8419.50 | - | 12616.00 | - | - | 9453.50 | |||
| ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+ | - | 1138.00 | - | - | - | - | |||
| ESTRONE (CAS# 53-16-7); (M+H)+ | - | - | 1790.00 | - | - | - | |||
| ESTRONE (CAS# 53-16-7); (M+NA)+ | 3651.00 | 2468.00 | 4402.00 | - | 5038.00 | 9757.00 | |||
| ETHANOLAMINE (CAS# 141-43-5); (M+NA)+ | - | - | - | - | 11697.00 | - | |||
| ETHYL 3-UREIDOPROPIONATE (CAS# 198879-21-9); (M+H)+ | - | - | - | - | 1407.00 | - | |||
| ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+ | - | 3824.75 | 1786.25 | - | 3957.33 | 1751.50 | |||
| FERULATE (CAS# 1135-24-6); (M+H)+ | 3292.50 | 5046.50 | - | 1307.00 | 27085.50 | 1419.50 | |||
| FERULATE (CAS# 1135-24-6); (M+H)+[-H2O] | 9915.75 | 11909.50 | 13189.62 | 8498.50 | 25993.22 | 10574.00 | |||
| FERULATE (CAS# 1135-24-6); (M+NA)+ | 1985.50 | - | 2315.00 | - | 9768.00 | - | |||
| FOLIC ACID (CAS# 59-30-3); (M+H)+ | - | - | - | - | 3287.00 | - | |||
| FRUCTOSE (CAS# 57-48-7); (M+NA)+ | 399002.12 | 117736.38 | 307973.50 | 301761.38 | 51413.22 | 65013.00 | |||
| GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+H)+ | 2501.00 | 6780.00 | - | - | 3796.00 | - | |||
| GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+ | 20936.50 | 24789.50 | 29271.60 | 8624.00 | 6040.50 | 11815.25 | |||
| GALACTURONIC ACID (CAS# 91510-62-2); (M+NA)+[-H2O] | 4016.00 | - | - | - | - | - | |||
| GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+ | - | - | 2456.00 | - | 1008.00 | - | |||
| GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+ | 24732.00 | - | - | - | 17770.00 | 2370.50 | |||
| GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+[-H2O] | - | - | - | - | - | 1722.00 | |||
| GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+ | 104729.50 | 85540.88 | 81729.00 | 82520.33 | 78646.44 | 74460.33 | |||
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+ | 5114.00 | - | 2883.00 | 4151.50 | - | 4325.00 | |||
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+ | 95372.67 | 98674.50 | 100950.12 | 98547.71 | 83656.88 | 96844.38 | |||
| GLUCONIC ACID (CAS# 526-95-4); (M+NA)+ | - | 17278.00 | - | - | - | - | |||
| GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+NA)+ | - | 2096.00 | 1200.00 | - | - | - | |||
| GLUCOSE (CAS# 50-99-7); (2M+NA)+ | 13421.50 | - | 5292.33 | 1946.00 | - | 5507.00 | |||
| GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O] | 1385.00 | 56472.00 | - | 3173.00 | - | 20044.00 | |||
| GLUCOSE (CAS# 50-99-7); (M+NA)+ | 379594.50 | 114260.25 | 297028.17 | 304479.62 | 37045.89 | 130500.17 | |||
| GLUCURONIC ACID (CAS# 6556-12-3); (M+NA)+ | 1240.00 | 2611.00 | - | - | - | - | |||
| GLUTAMATE (CAS# 56-86-0); (M+H)+ | 31025.29 | 33323.86 | 35459.75 | 11096.00 | 41660.38 | 13710.50 | |||
| GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] | 36675.67 | 34638.83 | 30745.86 | 43076.57 | 11132.14 | 17922.83 | |||
| GLUTAMINE (CAS# 56-85-9); (M+NA)+ | 11611.20 | 3135.00 | - | 8815.50 | - | - | |||
| GLUTATHIONE (CAS# 27025-41-8); (M+H)+ | 32530.00 | 29919.00 | - | 9560.67 | - | 17548.50 | |||
| GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2 | 268865.00 | 242616.00 | - | 51714.50 | - | 179053.00 | |||
| GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+ | 2216.00 | - | 3754.00 | - | 2278.00 | 3093.00 | |||
| GLYCOCHOLATE (CAS# 475-31-0); (2M+H)+ | 3196.50 | - | - | - | 4328.00 | - | |||
| GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+ | 6569.00 | - | 9132.00 | - | 1544.00 | - | |||
| GLYCOCHOLATE (CAS# 475-31-0); (M+H)+ | 35599.75 | 40202.25 | 27384.29 | 9495.83 | 30423.33 | 26911.50 | |||
| GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O] | 59431.75 | 121449.50 | 55516.40 | 18945.50 | 49093.67 | 39583.50 | |||
| GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+ | 253020.80 | 324067.00 | 231733.12 | 83798.29 | 134973.14 | 169535.50 | |||
| GUAIFENESIN (CAS# 93-14-1); (M+H)+ | - | 3529.00 | - | - | 9146.00 | - | |||
| GUANINE (CAS# 73-40-5); (2M+NA)+ | 22961.00 | 36154.00 | 18668.67 | 19558.00 | 35979.00 | 8260.33 | |||
| GUANINE (CAS# 73-40-5); (M+H)+ | 267418.00 | 153708.00 | 172330.20 | 225497.29 | 320015.80 | 108631.20 | |||
| GUANINE (CAS# 73-40-5); (M+NA)+ | 62062.25 | 93904.00 | 64465.00 | 53803.60 | 87850.67 | 59186.50 | |||
| GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M+H)+ | 8196.67 | 7288.00 | 15317.00 | 8056.80 | - | 15899.50 | |||
| GUANOSINE (CAS# 118-00-3); (M+H)+ | 846121.80 | 150576.29 | 423760.00 | 802051.17 | 239749.50 | 213459.20 | |||
| GUANOSINE (CAS# 118-00-3); (M+NA)+ | 90013.75 | 60633.57 | 61374.20 | 121973.80 | 19668.75 | 60210.33 | |||
| HIPPURATE (CAS# 495-69-2); (M+H)+ | 60248.00 | 236690.00 | 7843.00 | - | - | - | |||
| HIPPURATE (CAS# 495-69-2); (M+NA)+ | 288447.00 | 656577.00 | - | - | - | - | |||
| HISTAMINE (CAS# 51-45-6); (M+H)+ | 1849.00 | 1812.00 | 3365.00 | 2224.00 | 4404.00 | - | |||
| HOMOGENTISATE (CAS# 451-13-8); (M+H)+ | - | 4184.00 | 1818.00 | - | - | - | |||
| HOMOSERINE (CAS# 672-15-1); (M+H)+ | 8987.40 | 10213.50 | 6378.00 | 25616.33 | 9310.00 | 5282.75 | |||
| HOMOSERINE (CAS# 672-15-1); (M+NA)+ | 3255.25 | 7192.00 | 4432.25 | 3959.67 | 3842.71 | 3345.75 | |||
| HOMOVANILLATE (CAS# 306-08-1); (M+H)+ | 2599.00 | 6020.00 | 1466.00 | 3709.00 | 1126.00 | 1384.00 | |||
| HYODEOXYCHOLATE (CAS# 83-49-8); (M+NA)+ | 108329.67 | 324585.80 | 279671.71 | 146473.50 | 326644.20 | 98032.00 | |||
| HYPOXANTHINE (CAS# 68-94-0); (M+H)+ | 367293.25 | 457014.75 | 263189.50 | 279007.50 | 307613.00 | 157541.60 | |||
| HYPOXANTHINE (CAS# 68-94-0); (M+NA)+ | 320640.75 | 407194.50 | 49923.00 | 83155.50 | 167468.33 | 246236.67 | |||
| IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)+[-H2O] | - | 4619.00 | - | - | - | - | |||
| IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA)+ | - | 33086.00 | - | - | - | - | |||
| IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+ | - | 4735.00 | 5627.00 | - | - | - | |||
| INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ | 3455.50 | 42138.00 | 28129.67 | 11584.00 | 10538.00 | - | |||
| INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+ | 1539.00 | 3286.00 | - | - | - | 2996.00 | |||
| INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+ | - | - | 1611.00 | 1607.00 | 1991.50 | 1390.00 | |||
| INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M+NA)+ | - | - | - | - | 1309.00 | - | |||
| INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M+H)+ | - | - | - | - | - | 1675.00 | |||
| INOSINE (CAS# 58-63-9); (M+H)+ | 108029.33 | 52478.00 | 248640.00 | 114427.00 | - | 161252.00 | |||
| INOSINE (CAS# 58-63-9); (M+NA)+ | 487556.17 | 292184.33 | 306149.67 | 726553.43 | 438445.00 | 355554.33 | |||
| ISOLEUCINE (CAS# 73-32-5); (M+H)+ | 12966090.71 | 9044343.25 | 14310909.50 | 9007434.62 | 14376258.78 | 12590536.00 | |||
| ISOLEUCINE (CAS# 73-32-5); (M+NA)+ | 148437.43 | 171028.50 | 119843.71 | 170559.00 | 119715.88 | 78597.50 | |||
| JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+ | 248754.00 | 277378.62 | 269152.25 | 251756.75 | 222337.78 | 247178.00 | |||
| JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ | 823629.50 | 939053.88 | 944568.62 | 827978.11 | 766950.56 | 870928.89 | |||
| KYNURENINE (CAS# 343-65-7); (M+H)+ | 10045.60 | 10870.25 | 15769.00 | 9346.67 | 15546.57 | 21175.86 | |||
| L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M+H)+ | - | - | 886920.00 | - | - | 941067.00 | |||
| LACTOSE (CAS# 63-42-3); (M+K)+ | 3419.00 | 4899.00 | 1504.00 | - | 3487.00 | 2025.00 | |||
| LACTOSE (CAS# 63-42-3); (M+NA)+ | 8334.50 | 27821.33 | 39221.00 | 11060.33 | - | 28612.00 | |||
| L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+ | 8987.40 | 9828.75 | 6160.33 | 25616.33 | 9310.00 | 5282.75 | |||
| L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] | 4587.33 | 4831.00 | 3216.00 | 6744.67 | 2522.00 | 4631.50 | |||
| L-ARGININE (CAS# 74-79-3); (M+H)+ | 176942.25 | 135504.33 | 122380.50 | 121118.00 | 89343.29 | 90340.83 | |||
| L-ARGININE (CAS# 74-79-3); (M+NA)+ | 41431.50 | 30013.33 | 35535.83 | 38747.00 | 29436.29 | 31398.00 | |||
| L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+ | 36218.12 | 38837.25 | 19528.50 | 43116.89 | 14728.25 | 32806.75 | |||
| LAURIC ACID (CAS# 143-07-7); (M+NA)+ | - | - | - | - | 3775.00 | - | |||
| LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+ | 6352.20 | 2589.50 | 4602.25 | 2862.00 | - | 4271.00 | |||
| LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+ | - | - | - | - | 5631.00 | - | |||
| L-CARNITINE (CAS# 541-15-1); (M+H)+ | 208947.86 | 237294.71 | 64604.14 | 314005.14 | 126608.00 | 144080.38 | |||
| LEUCINE (CAS# 328-39-2); (M+H)+ | 14437885.86 | 10507886.00 | 14233285.62 | 10594116.75 | 16100000.00 | 12362622.56 | |||
| LEUCINE (CAS# 328-39-2); (M+NA)+ | 291145.14 | 240597.33 | 229707.43 | 255709.67 | 233897.75 | 194830.67 | |||
| LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+ | 47687.00 | 2874.00 | 14622.50 | 38474.00 | 2414.00 | 52746.00 | |||
| LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O] | 11432.67 | 12067.00 | 43221.67 | 7186.83 | 25776.00 | 16543.20 | |||
| LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+ | 6753.00 | 8898.33 | 4638.00 | 14807.00 | 12624.00 | 8822.00 | |||
| L-GULONATE (CAS# 6322-07-2); (M+H)+[-H2O] | 4568.00 | - | 4186.00 | - | - | - | |||
| L-GULONATE (CAS# 6322-07-2); (M+NA)+ | - | 17278.00 | - | - | - | - | |||
| L-GULONATE (CAS# 6322-07-2); (M+NA)+[-H2O] | - | - | 2588.25 | - | - | 1498.00 | |||
| L-HISTIDINE (CAS# 71-00-1); (M+H)+ | 28091.80 | 15004.17 | 32890.62 | 55557.67 | 16690.25 | 13363.00 | |||
| L-HISTIDINE (CAS# 71-00-1); (M+NA)+ | 1817.00 | 4564.00 | - | 1851.00 | 4280.33 | 4014.50 | |||
| L-HISTIDINOL (CAS# 4836-52-6); (M+H)+ | - | - | 2007.00 | - | - | - | |||
| LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ | 42329.75 | 42576.50 | 41001.67 | 37401.20 | 37307.75 | 34371.75 | |||
| L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M+NA)+ | - | - | - | - | 116055.67 | - | |||
| LOPERAMIDE (CAS# 34552-83-5); (M+H)+ | 18510.00 | - | 6874.00 | - | - | - | |||
| L-ORNITHINE (CAS# 70-26-8); (M+H)+ | 3381.50 | - | - | 20027.00 | 1305.00 | - | |||
| L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ | 517617.00 | 587346.62 | 551735.29 | 541575.62 | 475070.11 | 523695.88 | |||
| LUMICHROME (CAS# 1086-80-2); (M+NA)+ | 20285.00 | 24650.00 | - | 1009.00 | 9798.50 | 9484.00 | |||
| LYSINE (CAS# 56-87-1); (M+H)+ | 64836.62 | 37204.14 | 33830.62 | 81022.38 | 49888.00 | 47118.57 | |||
| LYSINE (CAS# 56-87-1); (M+NA)+ | 11074.00 | 12813.00 | 8087.38 | 19366.29 | 12660.62 | 11928.29 | |||
| MALATE (CAS# 636-61-3); (M+NA)+ | 36969.88 | - | 24733.60 | 28583.67 | - | 17024.00 | |||
| MALEAMATE (CAS# 557-24-4); (M+H)+ | - | - | - | - | 1624.00 | - | |||
| MALTOSE (CAS# 69-79-4); (M+NA)+ | 8334.50 | 27799.67 | 39221.00 | 11060.33 | - | 28612.00 | |||
| MANNITOL (CAS# 69-65-8); (M+H)+ | - | 6780.00 | - | - | 3796.00 | - | |||
| MANNITOL (CAS# 69-65-8); (M+NA)+ | 24025.50 | 24789.50 | 33893.00 | 7630.00 | 6564.50 | 11815.25 | |||
| MELANIN (CAS# 8049-97-6); (M+H)+ | - | 1051.00 | - | - | - | - | |||
| MELIBIOSE (CAS# 585-99-9); (M+K)+ | 3419.00 | 4899.00 | 1504.00 | - | 3487.00 | 2025.00 | |||
| MELIBIOSE (CAS# 585-99-9); (M+NA)+ | 8334.50 | 27761.00 | 39221.00 | 11060.33 | - | 28612.00 | |||
| METHIONINE (CAS# 63-68-3); (M+H)+ | 2051251.40 | 1393852.80 | 1431588.17 | 3513231.62 | 1436428.75 | 1174832.17 | |||
| METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ | - | 4122.00 | 3164.00 | 3420.00 | - | 2325.50 | |||
| METHYLGUANIDINE (CAS# 471-29-4); (M+H)+ | - | - | - | - | 6081.00 | - | |||
| METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+H)+ | - | 4140.50 | - | - | 8387.57 | - | |||
| METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+ | 8820.00 | 50938.00 | 12133.00 | 3592.00 | 65767.00 | - | |||
| METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ | 59971.14 | 52265.00 | 58776.86 | 53523.86 | 60032.75 | 59090.50 | |||
| METHYLMALONATE (CAS# 516-05-2); (M+NA)+ | 41932.29 | 32220.71 | 52234.12 | 37605.00 | 42084.38 | 43242.43 | |||
| MEVALONIC ACID (CAS# 674-26-0); (M+NA)+ | - | - | 6861.00 | 4013.00 | - | 7485.67 | |||
| MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+ | - | 11024.00 | 6529.00 | - | 4614.00 | 1829.00 | |||
| MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ | 291635.62 | 87767.62 | 167131.57 | 238210.12 | 45327.11 | 77074.29 | |||
| N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+ | - | - | - | - | 1407.50 | 1593.00 | |||
| N6-(DELTA2-ISOPENTENYL)-ADENINE (CAS# 2365-40-4); (M+H)+ | - | - | - | - | 2746.00 | 2301.50 | |||
| N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+ | - | - | 1889.00 | - | - | - | |||
| N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+ | - | 3650.00 | 24568.00 | - | 54569.89 | 24641.25 | |||
| N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ | - | - | 131189.00 | 1374.00 | - | 81366.00 | |||
| N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ | 22941.40 | 17093.20 | 20700.83 | 18602.25 | 26477.89 | 18453.86 | |||
| N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O] | 7910.75 | 7379.00 | 6945.50 | 6177.40 | 10141.00 | 11086.50 | |||
| N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ | 81882.00 | 70404.80 | 75405.57 | 79274.00 | 109396.22 | 73613.29 | |||
| N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ | 19086.86 | 34483.00 | 35398.71 | 8546.75 | 41619.75 | 22697.88 | |||
| N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] | 61775.17 | 54044.86 | 49690.50 | 92272.43 | 113435.12 | 70489.43 | |||
| N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+ | 16849.25 | 23608.67 | 9832.40 | 18168.00 | 17554.71 | 11579.75 | |||
| N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+ | - | - | - | 8291.00 | 8820.25 | 8079.00 | |||
| N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+ | - | - | - | - | 1925.67 | 2888.50 | |||
| N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+ | - | - | 1889.00 | - | - | - | |||
| N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+ | - | - | - | - | 11019.00 | - | |||
| N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O] | 7131.50 | 13457.00 | 12721.17 | - | 22126.56 | 6118.75 | |||
| N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ | 5587.00 | 68016.00 | - | 15900.50 | 47603.00 | 4632.00 | |||
| N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O] | - | - | 1887.00 | - | - | - | |||
| N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+ | - | 4651.00 | - | - | - | 3789.50 | |||
| N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M+NA)+ | - | - | 1100.00 | - | - | - | |||
| N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ | - | 2542.00 | - | - | 5163.50 | 5394.00 | |||
| N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ | 15006.75 | 10451.80 | 9606.60 | 18041.25 | 32207.29 | 15411.75 | |||
| N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+ | - | 4989.00 | - | - | - | - | |||
| N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+ | - | 1478.00 | 2771.80 | 5492.00 | 1221.00 | - | |||
| N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+ | 1036.00 | 3031.33 | 4487.00 | 2304.00 | 1293.00 | 2297.00 | |||
| N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+ | - | - | - | - | 6816.00 | - | |||
| NAD (CAS# 53-84-9); (M+H)+ | 1042.00 | - | - | - | - | 1129.00 | |||
| N-ALPHA-ACETYL-L-ASPARAGINE (CAS# 4033-40-3); (M+H)+ | - | 4317.00 | - | - | - | - | |||
| N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ | 75823.00 | 13178.67 | 18692.20 | 250672.17 | 15285.00 | 180013.80 | |||
| NAPROXEN (CAS# 22204-53-1); (M+H)+ | - | 8812.00 | - | - | 2362.00 | - | |||
| NAPROXEN (CAS# 22204-53-1); (M+NA)+ | - | 68905.00 | - | - | - | - | |||
| N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (2M+NA)+ | 16820.00 | - | - | 9191.00 | - | - | |||
| N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+NA)+ | - | - | - | - | 3757.00 | - | |||
| N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ | 2175.00 | - | 1091.00 | - | 2874.00 | - | |||
| NICOTINAMIDE (CAS# 98-92-0); (M+H)+ | 403072.50 | 337264.00 | 114513.00 | 492141.33 | 5537.00 | 260254.33 | |||
| NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+NA)+ | - | - | - | - | - | 2218.00 | |||
| NICOTINATE (CAS# 59-67-6); (M+H)+ | 37409.00 | 238771.25 | 112578.88 | 103322.60 | 180711.71 | 105064.33 | |||
| NICOTINE (CAS# 54-11-5); (M+H)+ | - | - | - | 1281.00 | - | - | |||
| N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+ | 35367.83 | 33243.43 | 35459.75 | 9575.00 | 42190.12 | 14415.88 | |||
| N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+ | 14524.80 | 19984.75 | 10556.20 | 20890.50 | 12761.29 | 11579.75 | |||
| N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2O] | - | - | 1632.00 | - | - | - | |||
| N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+ | 11868.00 | 8033.50 | 28589.50 | 38181.67 | 37934.00 | 17453.00 | |||
| N-METHYLTRYPTAMINE (CAS# 61-49-4); (M+NA)+ | 1056.00 | - | - | - | - | - | |||
| N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+NA)+ | - | 5232.00 | - | - | 1142.00 | - | |||
| N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+NA)+ | 2698.00 | - | - | - | - | - | |||
| NONANOATE (CAS# 112-05-0); (M+NA)+ | - | - | - | - | 2052.00 | - | |||
| NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O] | - | 6101.00 | 3034.00 | - | - | - | |||
| NORLEUCINE (CAS# 327-57-1); (M+H)+ | 14452043.29 | 10507883.00 | 14233047.38 | 10594071.62 | 16088888.89 | 12426182.00 | |||
| NORMETANEPHRINE (CAS# 0); (M+H)+ | - | - | - | - | 2961.50 | - | |||
| NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O] | 16710975.00 | 9617069.75 | 14975000.00 | 15647057.22 | 14472957.00 | 13148323.56 | |||
| NORVALINE (CAS# 6600-40-4); M+[-CO2H] | 1825439.75 | 907126.88 | 1489189.88 | 1846471.33 | 1600104.11 | 1537759.56 | |||
| NORVALINE (CAS# 6600-40-4); (M+H)+ | 3049104.88 | 1722104.25 | 2463576.00 | 3096130.33 | 2660499.00 | 1781920.14 | |||
| O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ | 675490.75 | 842705.12 | 652822.14 | 622891.00 | 654770.67 | 698977.71 | |||
| OLEIC ACID (CAS# 112-80-1); (M+H)+ | 3882.75 | 3643.00 | 5970.00 | 2818.50 | 3545.75 | 2587.67 | |||
| OLEIC ACID (CAS# 112-80-1); (M+NA)+ | 557823.62 | 628481.12 | 474218.25 | 612335.67 | 831113.78 | 660716.78 | |||
| OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H)+ | - | 1017.00 | - | - | - | - | |||
| OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ | 74195.29 | 73253.67 | 62509.60 | 75620.86 | 32732.00 | 87102.86 | |||
| OROTATE (CAS# 65-86-1); (M+H)+ | - | - | 1663.00 | - | - | - | |||
| O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+ | 3902.00 | - | - | - | - | - | |||
| OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2 | 201928.75 | 242616.00 | - | 51714.50 | - | 183189.50 | |||
| OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+ | 32530.00 | 22749.00 | - | 9560.67 | - | 17548.50 | |||
| PALATINOSE (CAS# 343336-76-5); (M+NA)+ | 8347.00 | 27761.00 | 38074.00 | 11060.33 | - | 28612.00 | |||
| PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ | 17034.50 | 9766.86 | 19624.57 | 8234.56 | 7576.50 | 9701.75 | |||
| PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+ | 14758.33 | 5924.25 | 16123.67 | 5415.40 | 6412.50 | 7976.40 | |||
| PANTOTHENATE (CAS# 79-83-4); (M+H)+ | 181575.67 | 135945.00 | 141051.75 | 87520.25 | 183385.33 | 184010.62 | |||
| PANTOTHENATE (CAS# 79-83-4); (M+NA)+ | 430900.67 | 253035.83 | 481469.33 | 204071.00 | 400661.22 | 506290.40 | |||
| PARAXANTHINE (CAS# 611-59-6); (M+NA)+ | 74190.00 | 15670.00 | 36044.00 | 83469.67 | - | 88932.00 | |||
| PENICILLAMINE (CAS# 52-67-5); (2M+H)+[-H2] | - | 7354.00 | - | - | - | - | |||
| PHENYL ACETATE (CAS# 122-79-2); (M+H)+ | 4587.00 | 11760.00 | 12704.00 | - | 24954.00 | 9508.50 | |||
| PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+ | 3004.00 | 11822.00 | 13044.00 | - | 25677.00 | 9569.00 | |||
| PHENYLALANINE (CAS# 63-91-2); (M+H)+ | 16710975.00 | 9617091.12 | 14975000.00 | 15647057.22 | 14473975.89 | 13147937.22 | |||
| PHENYLALANINE (CAS# 63-91-2); (M+NA)+ | 588094.38 | 479345.86 | 544572.62 | 683688.62 | 493897.22 | 534285.50 | |||
| PHENYLETHANOLAMINE (CAS# 7568-93-6); (M+H)+ | - | - | 1780.00 | - | - | - | |||
| PHTHALATE (CAS# 88-99-3); (M+NA)+ | 2493.00 | 1266.50 | 1009.00 | - | - | 3504.00 | |||
| PICOLINIC ACID (CAS# 98-98-6); (M+H)+ | 37459.00 | 237836.25 | 112332.12 | 103040.80 | 180445.14 | 106029.17 | |||
| PINITOL (CAS# 10284-63-6); (M+NA)+ | - | 4122.00 | 3164.00 | 3420.00 | - | 2325.50 | |||
| PIPECOLATE (CAS# 535-75-1); (M+H)+ | 46707.60 | 11829.50 | 22116.12 | 41442.43 | 17002.62 | 29367.25 | |||
| PIPECOLATE (CAS# 535-75-1); (M+NA)+ | 1785.00 | 1791.00 | - | - | 3152.80 | 1636.00 | |||
| PORPHOBILINOGEN (CAS# 487-90-1); (M+NA)+ | 1902.00 | - | - | 3755.00 | - | - | |||
| PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+ | 1096.00 | 1318.00 | 4485.00 | - | 3304.00 | 1504.00 | |||
| PROGESTERONE (CAS# 57-83-0); (M+H)+ | 1707.50 | 2210.75 | 3194.00 | 5765.00 | 1109.00 | 3172.67 | |||
| PROLINE (CAS# 147-85-3); (M+H)+ | 444271.62 | 324287.83 | 416599.57 | 473633.50 | 312120.75 | 378040.29 | |||
| PROLINE (CAS# 147-85-3); (M+NA)+ | 38558.17 | 22293.67 | 47916.50 | 37711.17 | - | 32756.00 | |||
| PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+ | 112265.14 | 171918.25 | 67528.71 | 114203.50 | 164598.00 | 85292.62 | |||
| PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O] | - | 48215.00 | - | - | 52383.67 | - | |||
| PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+ | - | 36755.00 | 25657.00 | - | 31118.33 | 28961.00 | |||
| PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ | 12077.00 | 5083.00 | 2474.83 | 2199.50 | 6511.60 | 1989.00 | |||
| PURINE (CAS# 120-73-0); (M+NA)+ | 10150.50 | - | 9246.00 | 3028.67 | - | - | |||
| PUTRESCINE (CAS# 110-60-1); (M+H)+ | - | - | - | - | 2968.67 | - | |||
| PYRIDOXAL (CAS# 66-72-8); (M+H)+ | - | 11700.00 | - | - | 2099.00 | - | |||
| PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O] | 3602903.50 | 2914037.00 | 3009542.33 | 2118271.00 | 3428229.50 | 3311181.00 | |||
| PYRIDOXAMINE (CAS# 85-87-0); (M+H)+ | - | - | - | - | 17175.00 | - | |||
| PYRIDOXINE (CAS# 65-23-6); (M+H)+ | 122894.00 | 48971.00 | 26157.00 | 24487.33 | - | 22954.00 | |||
| QUINATE (CAS# 77-95-2); (M+NA)+ | - | - | - | - | - | 3739.00 | |||
| QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+ | - | 6461.00 | - | 3757.00 | 6172.33 | 3104.00 | |||
| QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+ | - | 7785.50 | 3064.00 | 8354.00 | 9645.00 | 4872.00 | |||
| RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+H)+[-H2O] | - | - | - | - | 4912.00 | - | |||
| RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ | 123624.25 | 178462.50 | 132304.25 | 136478.89 | 275022.89 | 141521.75 | |||
| RAFFINOSE (CAS# 512-69-6); (M+K)+ | 28389.00 | 4082.00 | 19426.75 | - | 18751.80 | 25881.50 | |||
| RAFFINOSE (CAS# 512-69-6); (M+NA)+ | 129292.00 | 401836.80 | 255269.60 | 83088.00 | 226792.14 | 251152.00 | |||
| RETINOATE (CAS# 302-79-4); (M+H)+ | - | - | 2963.00 | - | - | - | |||
| RIBITOL (CAS# 488-81-3); (M+NA)+ | - | 6146.50 | 1244.00 | - | 2043.00 | 3239.00 | |||
| RIBOFLAVIN (CAS# 83-88-5); (M+H)+ | 105582.00 | 92139.75 | 90601.00 | 45091.67 | 22092.00 | 48054.33 | |||
| RIBOFLAVIN (CAS# 83-88-5); (M+NA)+ | 79431.83 | 101402.50 | 80402.86 | 54024.40 | 48890.14 | 76375.80 | |||
| RIBOSE (CAS# 50-69-1); (M+NA)+ | 14693.33 | 15298.50 | 16633.80 | 23077.50 | 8871.50 | 8374.67 | |||
| (S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR ... | 6332.67 | 4934.00 | 2565.50 | 10205.00 | 2427.50 | 3333.00 | |||
| (S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR ... | - | - | 3154.00 | - | - | - | |||
| S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ | 25295.00 | 15501.00 | - | 1408.00 | - | 10776.50 | |||
| S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+ | 8496.00 | 4743.67 | 12399.67 | 5215.00 | - | - | |||
| SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+ | - | 12425.00 | - | - | 8847.50 | 5222.00 | |||
| SARCOSINE (CAS# 107-97-1); (M+H)+ | 24112.38 | 20323.20 | 14333.50 | 34297.43 | 6795.00 | 19295.88 | |||
| SELENOCYSTAMINE (CAS# 2697-61-2); (M+H)+ | 3151.00 | 4263.00 | 6484.00 | 2311.00 | 7696.00 | - | |||
| SERINE (CAS# 56-45-1); (M+H)+ | 25610.67 | 16263.00 | 10683.67 | 18154.00 | 10182.00 | 10960.00 | |||
| SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O] | - | - | 5128.00 | - | - | - | |||
| SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ | 531818.50 | 21313.67 | 65521.67 | 217294.88 | 8746.00 | 27446.29 | |||
| SPERMIDINE (CAS# 124-20-9); (M+H)+ | 489663.50 | 479003.00 | 1053001.75 | 519390.22 | 1548395.33 | 800213.44 | |||
| SPERMIDINE (CAS# 124-20-9); (M+NA)+ | 3113.00 | 2745.43 | 3964.00 | 1933.20 | 5202.25 | 3549.00 | |||
| SPERMINE (CAS# 71-44-3); (M+H)+ | 69442.00 | 78500.00 | - | 30950.00 | 2340.00 | 9117.33 | |||
| SPHINGANINE (CAS# 764-22-7); (M+H)+ | 5482.33 | 4779.00 | 4380.75 | 2946.25 | 9032.50 | 1442.00 | |||
| SPHINGANINE (CAS# 764-22-7); (M+NA)+ | - | 26409.00 | - | - | 26673.50 | - | |||
| SPHINGOSINE (CAS# 123-78-4); (M+H)+ | 3953.33 | - | 5017.00 | - | 5630.00 | 5495.50 | |||
| STACHYOSE (CAS# 54261-98-2); (M+K)+ | 5695.00 | 8093.67 | 5445.00 | 1620.50 | 4000.50 | 4380.33 | |||
| STACHYOSE (CAS# 54261-98-2); (M+NA)+ | 161100.50 | 216995.33 | 134751.38 | 45919.43 | 194495.11 | 132081.86 | |||
| SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O] | - | - | - | - | 6265.50 | - | |||
| SUBERIC ACID (CAS# 505-48-6); (M+NA)+ | 12893.00 | 38203.80 | 29973.00 | 12105.60 | 56126.67 | 29077.00 | |||
| SUCROSE (CAS# 57-50-1); (M+NA)+ | 8347.00 | 27761.00 | 38074.00 | 11060.33 | - | 28612.00 | |||
| TAURINE (CAS# 107-35-7); (M+H)+ | 17695.50 | 31944.00 | 32493.50 | 7010.00 | 18289.50 | 6236.00 | |||
| TAURINE (CAS# 107-35-7); (M+K)+ | 5665.00 | 32880.50 | 30278.00 | 32391.00 | 35891.25 | 36638.00 | |||
| TAURINE (CAS# 107-35-7); (M+NA)+ | 13264.33 | 21974.75 | 13699.00 | 4969.75 | 7437.17 | 11012.50 | |||
| TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+H)+[-H2O] | 60751.00 | - | 68318.67 | 30732.00 | - | 51654.00 | |||
| TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+ | 125296.75 | 22405.00 | 156407.50 | 197688.75 | 10330.00 | 104410.00 | |||
| TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O] | 2167402.00 | - | 2432024.33 | 372049.00 | - | 1141356.00 | |||
| TAUROCHOLATE (CAS# 81-24-3); (M+NA)+ | 11840686.33 | 1729623.00 | 10619502.75 | 3714168.00 | 891708.50 | 2826554.00 | |||
| TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O] | - | 7805.00 | 11959.00 | - | - | - | |||
| TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ | - | - | 14613.00 | - | - | - | |||
| THEOBROMINE (CAS# 83-67-0); (M+H)+ | - | 9463.00 | - | - | 3995.00 | - | |||
| THEOBROMINE (CAS# 83-67-0); (M+NA)+ | 67176.80 | - | 36824.00 | 111441.50 | - | 36820.00 | |||
| THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ | 81803.25 | 15624.00 | 36772.00 | 66934.50 | - | 88932.00 | |||
| THIAMIN (CAS# 59-43-8); M+ | 29692.50 | 105302.17 | 41889.33 | 34545.86 | 116616.83 | 92432.00 | |||
| THIAMIN (CAS# 59-43-8); M+[-C6H9NOS] | 12136.00 | 22976.83 | 15511.40 | 5000.50 | 14757.00 | 14196.00 | |||
| THREONINE (CAS# 72-19-5); (M+H)+[-H2O] | 14024.80 | 10192.67 | 12557.00 | 18823.57 | 13876.75 | 8632.25 | |||
| THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+ | - | 3810.00 | 6480.00 | - | 14151.00 | 13788.00 | |||
| THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O] | 112265.14 | 171918.25 | 67528.71 | 114203.50 | 164598.00 | 85292.62 | |||
| THYMIDINE 5^-MONOPHOSPHATE (CAS# 365-07-1); (M+H)+ | - | - | - | - | - | 1374.00 | |||
| THYMIDINE 5^-MONOPHOSPHATE (CAS# 365-07-1); (M+NA)+ | - | 2239.00 | 1977.00 | - | - | 1689.50 | |||
| THYMIDINE (CAS# 50-89-5); (M+NA)+ | 53450.71 | 203441.00 | 233582.50 | 96647.67 | 335307.22 | 291192.33 | |||
| THYMINE (CAS# 65-71-4); (M+H)+ | - | 7753.00 | 15831.75 | 7571.00 | 18745.00 | 15047.00 | |||
| THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+H)+ | 37232.50 | - | 15780.50 | 42627.25 | 8552.00 | 8044.50 | |||
| THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+NA)+ | - | - | - | - | 5271.00 | - | |||
| THYROXINE (CAS# 51-48-9); (M+H)+ | - | - | 1253.00 | - | - | - | |||
| TRANS-3^-HYDROXYCOTININE (CAS# 34834-67-8); (M+NA)+ | - | - | - | - | 3365.00 | - | |||
| TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O] | 404120.33 | 648681.50 | 48771.00 | 57389.00 | 182059.50 | 243571.33 | |||
| TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+ | 1671.00 | 1701.00 | 1491.00 | - | - | - | |||
| TRYPTOPHAN (CAS# 73-22-3); (M+H)+ | 4206947.00 | 2883998.40 | 3786061.62 | 3992748.86 | 3894465.25 | 3659361.62 | |||
| TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ | 327250.43 | 299214.67 | 383542.88 | 334245.88 | 404872.22 | 360062.88 | |||
| TYRAMINE (CAS# 51-67-2); (M+H)+ | 30461.67 | - | 28727.50 | - | - | 6773.33 | |||
| TYROSINE (CAS# 60-18-4); (M+H)+ | 8418190.62 | 4274920.75 | 6667105.25 | 7670870.00 | 7082852.33 | 6180381.00 | |||
| TYROSINE (CAS# 60-18-4); (M+NA)+ | 211278.12 | 165761.14 | 177905.50 | 233144.11 | 158598.67 | 174406.78 | |||
| URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M+H)+ | - | - | 1663.00 | - | - | - | |||
| URACIL (CAS# 66-22-8); (M+H)+ | 12387.33 | 26525.00 | 13359.00 | 52225.25 | 31502.00 | 9073.75 | |||
| URATE (CAS# 69-93-2); (M+H)+ | 207658.00 | 86955.00 | 125228.00 | 261418.14 | 200778.50 | 180582.33 | |||
| URATE (CAS# 69-93-2); (M+NA)+ | - | - | 1306.00 | 8444.50 | 1160.00 | 3810.00 | |||
| URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+NA)+ | 2642.33 | 3288.50 | - | 1010.00 | 1039.00 | 2100.00 | |||
| URIDINE (CAS# 58-96-8); (M+H)+ | 14734.67 | 4379.00 | - | 10805.50 | 2086.00 | 6368.20 | |||
| URIDINE (CAS# 58-96-8); (M+NA)+ | 100589.43 | 65046.43 | 67030.75 | 98628.00 | 75810.20 | 63403.71 | |||
| UROCANATE (CAS# 104-98-3); (M+H)+ | - | 102817.67 | 59905.00 | 111561.50 | 584294.00 | 67161.00 | |||
| URSODIOL (CAS# 128-13-2); (M+H)+[-H2O] | 11963.00 | 13118.33 | 12963.29 | 5985.00 | 8211.00 | 6059.50 | |||
| URSODIOL (CAS# 128-13-2); (M+NA)+ | 439131.38 | 370350.38 | 826587.25 | 133600.00 | 173186.22 | 175726.67 | |||
| VALINE (CAS# 72-18-4); (M+H)+ | 3048107.62 | 1722054.88 | 2463517.50 | 3095789.22 | 2660277.00 | 1750632.43 | |||
| VALINE (CAS# 72-18-4); (M+NA)+ | 57715.88 | 62686.00 | 65418.00 | 87753.00 | 104089.25 | 91938.17 | |||
| VITAMIN B12 (CAS# 68-19-9); (M+2H)+2 | 1187.00 | - | - | 3839.50 | - | - | |||
| XANTHINE (CAS# 69-89-6); (M+H)+ | 136078.83 | 281729.88 | 289242.14 | 98879.60 | 348482.50 | 231995.22 | |||
| XANTHOSINE (CAS# 146-80-5); (M+H)+ | - | 1568.00 | - | - | - | - | |||
| XANTHOSINE (CAS# 146-80-5); (M+NA)+ | - | 3658.50 | - | 3281.50 | 36848.00 | - | |||
| XANTHURENIC ACID (CAS# 59-00-7); (M+H)+ | 11645.25 | 9502.00 | 8998.00 | 17048.67 | 19155.40 | 13102.20 | |||
| XANTHURENIC ACID (CAS# 59-00-7); (M+NA)+ | - | - | - | 2461.00 | - | - | |||
| ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ | 4047786.00 | 4601793.12 | 4536696.00 | 4139683.00 | 3717683.89 | 4266408.56 |
Factors:
| F1 | Genotype:FLOX | Intestinal Segment:Duodenum |
| F2 | Genotype:FLOX | Intestinal Segment:Illeum |
| F3 | Genotype:FLOX | Intestinal Segment:Jejunum |
| F4 | Genotype:- | Intestinal Segment:- |
| F5 | Genotype:Knockout | Intestinal Segment:Duodenum |
| F6 | Genotype:Knockout | Intestinal Segment:Illeum |
| F7 | Genotype:Knockout | Intestinal Segment:Jejunum |
| F8 | Genotype:Pooled flushing | Intestinal Segment:Pooled flushing |
