Data for ST000758
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 |
---|---|---|---|---|---|---|---|---|---|---|
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+H)+[-H2O] | - | 1419.00 | - | 1974.00 | - | - | - | 1539.00 | ||
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ | - | - | - | - | - | - | - | 7620.00 | ||
11-DEOXYCORTICOSTERONE (CAS# 64-85-7); (M+H)+ | 5943.00 | - | 6304.50 | 8204.00 | 6668.67 | 5271.00 | 5650.33 | 8229.50 | ||
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+ | 68654.00 | 90672.50 | 87467.33 | 87541.60 | 91111.50 | 79280.00 | 83251.67 | 76987.33 | ||
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+ | 247539.75 | 341399.67 | 294298.17 | 316946.00 | 319505.00 | 304659.67 | 289199.67 | 270493.00 | ||
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ | 462460.25 | 240443.17 | 745404.83 | 541102.20 | 387458.25 | 154318.67 | 622818.17 | 405169.50 | ||
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ | 9157922.00 | 7621515.50 | 10062279.17 | 10047675.20 | 8501522.00 | 4933659.50 | 9877324.33 | 8052943.33 | ||
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+NA)+ | - | 1034.00 | - | - | - | - | - | - | ||
18:0 LYSO-PE (CAS# 69747-55-3); (2M+NA)+ | - | - | 2260.00 | 1392.00 | - | - | - | - | ||
18:0 LYSO-PE (CAS# 69747-55-3); (M+H)+ | - | 3309.00 | - | - | 8287.00 | 1649.50 | - | - | ||
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+ | - | - | - | - | 1513.00 | - | - | - | ||
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ | 38297.75 | 41479.40 | 45666.67 | 49085.00 | 54666.75 | 53787.50 | 43787.83 | 70974.17 | ||
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ | - | 2319.00 | 3893.00 | - | - | 3763.33 | 4837.00 | - | ||
1-METHYLURIC ACID (CAS# 708-79-2); (M+H)+ | - | - | - | - | 2624.00 | - | 3074.00 | - | ||
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+ | 1306879.50 | 1133532.17 | 1743968.17 | 1327124.00 | 1344046.00 | 1366081.83 | 1661376.83 | 1580512.33 | ||
1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+ | 10692.00 | 10195.17 | 15542.20 | 11517.80 | 12312.75 | 13189.75 | 13966.60 | 13548.67 | ||
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O] | - | - | - | - | - | - | 4833.00 | - | ||
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ | 24860.75 | 44086.33 | 39786.83 | 35994.60 | 40896.50 | 42776.17 | 38519.50 | 42870.33 | ||
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ | 7415.00 | 8218.00 | 9720.00 | - | - | 5747.00 | 9999.00 | 8094.50 | ||
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ | 49404.75 | 68061.00 | 76027.33 | 72588.20 | 47144.25 | 51921.33 | 75292.33 | 53580.67 | ||
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ | - | - | - | 14383.00 | - | - | 21372.00 | - | ||
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+ | - | 35862.00 | 32186.00 | 42219.20 | 49497.00 | 25457.00 | - | 24522.00 | ||
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ | 5260.00 | 10947.60 | 9744.80 | 11049.20 | 7387.75 | 7414.83 | 11231.17 | 9887.25 | ||
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+ | 12287.50 | 21399.67 | 11056.40 | 19751.40 | 9595.50 | 15684.67 | 7644.00 | 10934.75 | ||
2-METHOXYESTRADIOL (CAS# 362-07-2); (M+H)+[-H2O] | - | 1692.00 | - | - | - | - | - | - | ||
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+ | 9804.67 | 13038.00 | 14067.00 | 13043.20 | 13701.33 | 8868.00 | 9560.17 | 14599.40 | ||
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+ | 12675.00 | - | - | 8916.00 | - | 7486.00 | - | 10678.00 | ||
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O] | 135823.25 | 113888.80 | 111250.00 | 149437.40 | 181211.33 | 167295.00 | 118397.50 | 217470.67 | ||
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)+ | - | - | 9844.00 | - | - | - | 3552.00 | - | ||
3-AMINO-4-HYDROXYBENZOIC ACID (CAS# 1571-72-8); (M+H)+ | - | - | 1047.00 | - | - | - | - | - | ||
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O] | 4566.67 | 5611.00 | 3101.50 | 2898.67 | 6785.00 | 3422.00 | 5943.60 | 5476.80 | ||
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+NA)+ | - | 4468.00 | - | - | - | - | - | - | ||
3BETA-HYDROXYANDROST-5-EN-17-ONE (CAS# 53-43-0); (M+H)+ | - | 1193.00 | - | - | - | - | - | - | ||
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+H)+ | 21403.67 | 23130.60 | 16534.25 | 32007.00 | 32613.00 | 20947.50 | 18866.50 | 21897.40 | ||
3-HYDROXYANTHRANILATE (CAS# 548-93-6); (M+H)+ | 5690.50 | 2211.50 | 3169.25 | 3174.50 | 3986.00 | 9290.80 | 6831.40 | 9362.25 | ||
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O] | 81053.00 | 46092.50 | 67430.75 | 35686.00 | 63837.00 | 71972.80 | 98876.00 | 83616.83 | ||
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M+H)+ | - | - | - | - | 1882.00 | - | - | - | ||
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+ | 19248.00 | 21681.75 | 21782.20 | 29016.50 | 19958.67 | 22086.80 | 17242.33 | 18708.00 | ||
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+ | 10114.33 | 13334.33 | 14369.33 | 13032.40 | 13716.67 | 8880.00 | 9553.00 | 15114.80 | ||
3-METHYL-2-BUTENAL (CAS# 107-86-8); (M+NA)+ | - | - | - | - | 1751.00 | - | - | - | ||
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+ | 6139.00 | 8059.17 | 10051.60 | 8849.33 | 8402.50 | 3535.00 | 9812.00 | 9202.40 | ||
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+ | 14553.50 | 18639.25 | 22322.25 | 24086.00 | 24926.00 | 18508.60 | 30226.67 | 25837.40 | ||
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+H)+ | - | 9393.00 | 7446.00 | - | - | - | - | 6133.00 | ||
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+ | 18396.00 | 19572.83 | 18986.50 | 21890.80 | 27153.67 | 26191.50 | 29419.50 | 22032.17 | ||
4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O] | - | 1083.00 | - | - | - | - | - | - | ||
4-GUANIDINOBUTANOATE (CAS# 463-00-3 ); (M+H)+ | - | - | - | - | - | 22329.00 | - | - | ||
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0); (M+H)+[... | - | - | - | - | - | 1574.00 | - | - | ||
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H... | 33233.50 | 37457.40 | 59977.50 | 47330.40 | 46618.33 | 42294.00 | 50708.80 | 54562.50 | ||
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M+H)+ | - | - | - | - | - | - | - | 1122.00 | ||
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M+H)+ | 6497.00 | 4007.20 | 4369.60 | 9000.00 | 6634.00 | 7301.00 | 5877.00 | 7275.00 | ||
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M+H)+ | - | - | - | 5281.00 | 9344.00 | 2022.00 | 12630.33 | - | ||
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+ | 7248.33 | 7216.25 | 8097.75 | 22534.33 | 13771.00 | 8209.50 | 7513.50 | 9751.25 | ||
4-METHYLCATECHOL (CAS# 452-86-8); (M+H)+ | - | - | - | - | - | 1853.00 | - | 4145.00 | ||
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+ | 30445.33 | 23350.00 | 30622.20 | 23431.60 | 24089.67 | 20953.33 | 26117.67 | 20432.75 | ||
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O] | 11728.00 | 27273.00 | 21385.00 | - | - | 17859.33 | 37477.00 | 20963.00 | ||
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+ | - | 2075.00 | 3390.75 | 1922.50 | 1996.67 | 2815.33 | 2486.75 | 2221.00 | ||
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M+H)+ | 27457.75 | 24773.50 | 46408.83 | 26959.40 | 29684.25 | 44191.67 | 57923.50 | 51713.60 | ||
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O] | 60461.50 | 54518.83 | 80578.50 | 74252.20 | 71121.25 | 57989.83 | 87800.67 | 68235.33 | ||
5-AMINOLEVULINATE (CAS# 106-60-5); (M+H)+ | 6497.00 | 4007.20 | 4574.20 | 9334.67 | 6634.00 | 12419.50 | 6344.00 | 7275.00 | ||
5-AMINOLEVULINATE (CAS# 106-60-5); (M+NA)+ | - | - | - | 1667.00 | 1408.00 | - | 1758.00 | - | ||
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ | 2064869.75 | 2305799.00 | 3493504.17 | 2732135.60 | 3100582.75 | 1296498.00 | 2810706.67 | 2824463.67 | ||
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M+NA)+ | - | 1189.00 | - | - | - | - | - | - | ||
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+ | 25131.00 | 156262.00 | 88323.50 | 103389.00 | - | - | - | 167206.00 | ||
5-METHYLCYTOSINE (CAS# 554-01-8); (M+H)+ | - | 6463.00 | 5291.00 | 6333.00 | 5624.00 | - | 3159.67 | 11568.00 | ||
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ | 19332.00 | 14426.60 | 12515.00 | 6618.00 | 20238.50 | 24653.50 | 21702.83 | 16090.17 | ||
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ | 2958.50 | 1588.25 | 1593.33 | 1334.00 | 2623.25 | 3541.80 | 2621.33 | 2455.67 | ||
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ | 2605624.67 | 4394713.50 | 4532412.67 | 5043945.20 | 3363780.75 | 3883260.00 | 3787393.67 | 2639869.67 | ||
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+ | 209153.75 | 271845.40 | 264764.40 | 276046.80 | 243740.33 | 215370.80 | 176547.00 | 136618.67 | ||
5-VALEROLACTONE (CAS# 542-28-9); (M+H)+ | 2965.50 | 5330.00 | 2579.00 | 2790.00 | 2413.00 | 4022.00 | 2620.00 | 2997.33 | ||
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+ | 6139.00 | 8059.17 | 10051.60 | 7554.00 | 8402.50 | 3535.00 | 9812.00 | 8862.40 | ||
6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O] | 6099.50 | 3543.67 | 3515.00 | 3693.00 | 4884.00 | 4590.75 | 4851.00 | 3556.00 | ||
ABRINE (CAS# 526-31-8); (M+H)+ | 1981.00 | 1153.00 | 1065.00 | - | - | - | 2778.50 | - | ||
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+ | - | 2589.00 | - | 3228.00 | 1397.00 | - | 2509.00 | 1989.00 | ||
ACETOACETATE (CAS# 541-50-4); (M+H)+ | 4023.00 | 3680.00 | 3975.33 | 3770.00 | 2884.67 | 4617.33 | 3401.50 | 4543.67 | ||
ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ | - | 4944.00 | 15469.00 | - | 2035.00 | - | - | - | ||
ACETYLCHOLINE (CAS# 51-84-3); M+ | - | - | 3127.00 | - | - | - | - | - | ||
ADENINE (CAS# 73-24-5); (M+H)+ | 3688.00 | 7059.00 | 14689.00 | 8720.67 | 6540.50 | 2252.00 | 7669.25 | 3987.67 | ||
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+ | - | - | - | 1793.00 | - | - | - | 2534.00 | ||
ADENOSINE 5^-PHOSPHOSULFATE (CAS# 485-84-7); (M+NA)+ | 1114.00 | - | 1162.00 | - | 1321.00 | - | 1135.50 | 1228.00 | ||
ADENOSINE (CAS# 58-61-7); (M+H)+ | 5128.67 | 10847.20 | 9246.00 | 10601.40 | 7093.75 | 7136.33 | 10710.17 | 9742.25 | ||
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+ | 9819.00 | 13334.33 | 14369.33 | 13032.40 | 13716.67 | 8900.75 | 9553.00 | 15114.80 | ||
AHBA (CAS# 76045-71-1); (M+H)+ | - | - | 1047.00 | - | - | - | - | - | ||
ALANINE (CAS# 56-41-7); (M+H)+ | 6604.00 | 7343.00 | 9863.00 | 6153.00 | 16055.00 | - | 14779.40 | - | ||
ALDOSTERONE (CAS# 52-39-1); (M+H)+ | - | - | 2062.00 | - | - | - | - | 2080.00 | ||
ALDOSTERONE (CAS# 52-39-1); (M+NA)+ | - | - | - | - | - | 3450.00 | - | 1724.00 | ||
ALLANTOIN (CAS# 97-59-6); (M+NA)+ | - | 13948.00 | - | - | - | - | - | - | ||
ALLOSE (CAS# 2595-97-3); (M+H)+[-H2O] | 21403.67 | 23130.60 | 16534.25 | 32007.00 | 32613.00 | 20947.50 | 22694.83 | 21897.40 | ||
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M+NA)+ | - | - | - | - | - | 2666.00 | - | - | ||
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M+H)+[-H2O] | - | - | - | - | - | 4780.00 | - | - | ||
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+ | 95825.75 | 150192.83 | 70847.20 | 106129.60 | 97878.75 | 147661.33 | 74429.80 | 112481.20 | ||
ALPHA-TOCOPHEROL (CAS# 59-02-9); (M+H)+ | - | - | - | - | - | 2703.00 | - | - | ||
ARABINOSE (CAS# 147-81-9); (M+NA)+ | - | - | - | - | 3471.00 | 5400.00 | 4873.50 | 4000.67 | ||
ARACHIDONYLCARNITINE (*) (CAS# 000-00-0); M+ | - | - | - | - | - | - | - | 2501.00 | ||
ASPARAGINE (CAS# 70-47-3); (M+NA)+ | 12588.00 | 11270.67 | 11390.33 | 9120.50 | 10777.00 | 10893.00 | 13577.00 | 12025.33 | ||
ASPARTATE (CAS# 56-84-8); (M+H)+ | - | - | 20783.00 | - | - | - | - | - | ||
ASPARTATE (CAS# 56-84-8); (M+NA)+ | - | - | 1059.00 | - | - | - | - | - | ||
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O] | 3816.50 | 4525.00 | 5129.33 | 6231.50 | 4431.67 | 4973.00 | 4393.00 | 3940.40 | ||
AZELAIC ACID (CAS# 123-99-9); (M+NA)+ | 46735.00 | 52765.00 | 53559.50 | 68307.40 | 47608.50 | 37127.67 | 46781.25 | 53801.33 | ||
BENZOATE (CAS# 65-85-0); (M+H)+ | - | - | - | - | - | - | - | 1772.00 | ||
BETA-ALANINE (CAS# 107-95-9); (M+H)+ | 33598.75 | 42776.00 | 51153.67 | 39781.60 | 42687.25 | 34854.17 | 43417.83 | 37796.67 | ||
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M+H)... | 1640.00 | 1761.00 | 2373.50 | - | 3916.00 | 2718.75 | 3364.50 | 3018.00 | ||
BETAINE (CAS# 107-43-7); (M+H)+ | 1936366.25 | 2303819.17 | 3487008.00 | 2721143.20 | 3002927.00 | 1379597.17 | 2746322.17 | 2758505.33 | ||
BETAINE (CAS# 107-43-7); (M+NA)+ | 46454.33 | 125463.50 | 117011.00 | 26851.60 | 21558.25 | 33471.20 | 57352.00 | 29614.67 | ||
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ | 22145.25 | 31614.17 | 34798.50 | 18178.00 | 29716.50 | 33005.67 | 36969.50 | 26473.33 | ||
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+ | 4590.00 | 6098.17 | 4822.83 | 4867.00 | 4947.25 | 6365.00 | 5505.17 | 5085.00 | ||
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ | 381502.00 | 490325.17 | 327141.83 | 409944.60 | 410912.25 | 489322.33 | 349042.17 | 399642.33 | ||
BIURET (CAS# 108-19-0); (M+NA)+ | 1036.00 | - | 2578.00 | - | - | - | - | - | ||
BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+ | 194638.50 | 123066.50 | 472642.67 | 160257.80 | 254328.50 | 222477.50 | 665746.17 | 253248.00 | ||
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)... | - | 1173.00 | - | - | - | - | - | - | ||
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)... | 18225.33 | 36104.67 | 25335.00 | 31891.80 | 20092.00 | 25066.50 | 16208.60 | 31515.20 | ||
CAFFEINE (CAS# 58-08-2); (M+NA)+ | 31500.50 | 5285.00 | 10059.00 | 9383.00 | 15016.67 | 3499.25 | 9010.25 | 9945.60 | ||
CARNITINE (CAS# 541-15-1); (M+H)+ | 2565481.67 | 4578219.83 | 4356022.60 | 4118633.60 | 2100483.00 | 1765668.67 | 2700048.25 | 1813650.17 | ||
CARNOSINE (CAS# 305-84-0); (M+H)+ | 1641.00 | - | 2065.00 | 1522.00 | 1644.67 | 1903.20 | 2182.20 | 3096.33 | ||
CELLOBIOSE (CAS# 528-50-7); (M+NA)+ | 22145.25 | 31458.33 | 34798.50 | 18187.20 | 29716.50 | 33005.67 | 36969.50 | 26478.50 | ||
CHOLATE (CAS# 81-25-4); (2M+H)+ | 4264.67 | 5932.00 | 7177.33 | 2826.00 | 1837.00 | - | - | - | ||
CHOLATE (CAS# 81-25-4); (2M+H)+[-H2O] | - | 1274.00 | 2839.50 | 1164.00 | - | - | - | - | ||
CHOLATE (CAS# 81-25-4); (2M+NA)+ | 18033.50 | 20281.33 | 27686.00 | 10521.80 | 6717.33 | 2772.00 | - | - | ||
CHOLATE (CAS# 81-25-4); (M+NA)+ | 592173.25 | 316902.50 | 614273.83 | 458614.00 | 268605.75 | 85942.50 | 30358.75 | 55630.17 | ||
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O] | 59591.50 | 54872.50 | 80924.67 | 74168.20 | 71078.25 | 58759.67 | 88634.33 | 67140.33 | ||
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[-HSO4] | 2833.00 | 1994.25 | 1518.00 | 2613.00 | 7770.00 | 4954.00 | - | 5299.50 | ||
CHOLINE (CAS# 62-49-7); M+ | 107602.00 | 344698.40 | 351567.00 | 365960.00 | 88062.00 | 51235.75 | 125584.33 | 68791.00 | ||
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+ | - | - | - | 4925.00 | - | - | - | - | ||
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+ | - | 1118.00 | - | - | - | - | 1055.00 | - | ||
CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O] | 2576.00 | 2779.33 | 1025.00 | - | 1516.50 | 3380.60 | 1343.00 | 3945.00 | ||
CIS-VACCENIC ACID (CAS# 506-17-2); (M+H)+ | 4117.75 | 5942.17 | 6209.67 | 6203.20 | 4325.00 | 3671.50 | 4469.83 | 4177.00 | ||
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ | 1190819.50 | 1156380.67 | 1186545.50 | 1216000.80 | 1129090.75 | 1144229.50 | 1155416.50 | 1133845.00 | ||
CITRAMALATE (CAS# 2306-22-1); (M+NA)+ | - | - | - | - | - | 12022.00 | - | - | ||
CITRATE (CAS# 77-92-9); (M+NA)+ | 57170.75 | 35665.80 | 71828.80 | 89732.67 | 63120.00 | 102561.33 | 96801.17 | 47292.20 | ||
CITRULLINE (CAS# 372-75-8); (M+H)+ | 9809.50 | 19786.33 | 21048.33 | 14627.00 | 5025.50 | 8081.25 | 8284.00 | 12127.00 | ||
CITRULLINE (CAS# 372-75-8); (M+NA)+ | 30294.25 | 31568.50 | 32708.60 | 30203.20 | 19716.33 | 27127.00 | 24910.00 | 19174.75 | ||
CORTICOSTERONE (CAS# 50-22-6); (M+H)+ | 69088.25 | 90658.50 | 87595.00 | 88018.80 | 91102.50 | 78602.67 | 84408.17 | 76734.33 | ||
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+ | 251193.50 | 341577.33 | 293799.83 | 314566.40 | 317384.50 | 306408.67 | 288334.17 | 269154.33 | ||
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+H)+ | - | 15479.00 | - | 17444.50 | - | - | - | - | ||
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+ | - | - | 4037.00 | 4763.00 | - | - | - | - | ||
CORTISOL (CAS# 50-23-7); (M+NA)+ | - | - | 1108.00 | 5640.00 | 3265.00 | - | 5127.00 | 12087.00 | ||
CORTISONE (CAS# 53-06-5); (M+H)+ | - | 3872.00 | - | 4453.00 | - | - | 1702.00 | 3210.00 | ||
(-)-COTININE (CAS# 486-56-6); (M+H)+ | 172975.25 | 132043.20 | 166348.50 | 178470.40 | 198833.00 | 207448.33 | 256039.60 | 160824.80 | ||
CREATINE (CAS# 57-00-1); (M+H)+ | 809347.00 | 951674.83 | 1153164.00 | 848803.40 | 1058073.25 | 911498.33 | 1099893.50 | 791766.00 | ||
CREATININE (CAS# 60-27-5); (M+H)+ | 40676.00 | 58998.17 | 75849.60 | 64124.80 | 45126.75 | 21086.75 | 51054.83 | 48292.25 | ||
CREATININE (CAS# 60-27-5); (M+NA)+ | 41850.75 | 51941.00 | 59727.40 | 40186.00 | 26139.67 | 42333.00 | 31034.67 | 29802.17 | ||
CYSTATHIONINE (CAS# 56-88-2); (M+H)+[-H2O] | 12796.67 | 19125.60 | 36004.00 | 8003.00 | 32730.50 | 17745.60 | 25842.40 | 20464.20 | ||
CYSTINE (CAS# 56-89-3); (M+H)+ | - | 3329.00 | - | 7667.00 | 2972.00 | 5290.50 | 2412.00 | - | ||
CYTIDINE (CAS# 65-46-3); (2M+H)+ | 1428.00 | - | 1339.67 | 1267.00 | - | - | - | 2700.00 | ||
CYTIDINE (CAS# 65-46-3); (M+H)+ | 14482.00 | 13293.67 | 16020.00 | 18537.75 | 12041.00 | 11440.00 | 16750.00 | 12821.00 | ||
CYTOSINE (CAS# 71-30-7); (M+H)+ | 42861.67 | 69128.80 | 129592.50 | 44896.50 | 39477.00 | 43694.25 | 86745.67 | 49701.67 | ||
CYTOSINE (CAS# 71-30-7); (M+NA)+ | 3995.00 | - | - | - | 2210.00 | - | - | - | ||
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ | - | - | - | - | 3471.00 | 5400.00 | 4873.50 | 4000.67 | ||
DECANOATE (CAS# 334-48-5); (2M+NA)+ | 1150.00 | 2652.00 | 1124.00 | 1713.00 | - | - | - | 3887.00 | ||
DECANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ | 2806.00 | 3130.40 | 4227.33 | 4511.75 | 2407.50 | 1883.00 | 2705.00 | 2803.40 | ||
DECENOYLCARNITINE (*) (CAS# 98930-66-6); (M+H)+ | 2425.00 | 1928.67 | 4859.00 | 3409.00 | 2236.00 | 1743.00 | 3581.00 | 2522.80 | ||
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O] | - | - | - | 3748.00 | - | - | 1705.00 | - | ||
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+ | 33446.00 | 47966.00 | 44996.33 | 42932.00 | 32623.25 | 15067.67 | 28737.17 | 20150.67 | ||
DEOXYCORTICOSTERONE ACETATE (CAS# 56-47-3); (M+NA)+ | - | - | - | - | - | 2115.00 | - | - | ||
DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+ | 519632.00 | 444944.00 | 458580.50 | 589767.40 | 605830.50 | 787654.83 | 418333.50 | 787345.00 | ||
DEOXYCYTIDINE (CAS# 951-77-9); (2M+NA)+ | 6770.33 | 6364.60 | 15182.83 | 4524.80 | 14652.33 | 9676.50 | 15865.00 | 9599.00 | ||
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+ | 99836.25 | 94050.83 | 148664.17 | 104153.00 | 95129.25 | 112047.33 | 104584.17 | 112525.17 | ||
DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+ | 38867.75 | 36241.50 | 65217.33 | 32324.80 | 48985.75 | 43803.00 | 55530.67 | 38122.83 | ||
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+ | 174592.25 | 185425.33 | 138425.17 | 169245.80 | 241511.00 | 145321.83 | 197900.33 | 93273.83 | ||
DESMOSTEROL (CAS# 313-04-2); (M+H)+[-H2O] | - | 2758.00 | - | - | - | - | - | 2114.00 | ||
DETHIOBIOTIN (CAS# 533-48-2); (2M+H)+ | - | - | 7997.00 | - | - | - | - | - | ||
DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+ | 18306.50 | 26785.33 | 16032.83 | 24681.00 | 21029.00 | 22230.33 | 16167.20 | 17204.67 | ||
D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+ | 8586.00 | - | 7367.00 | - | 13458.00 | 15375.00 | 8898.50 | 8056.00 | ||
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+ | 1121.00 | - | - | - | - | - | - | - | ||
D-GALACTOSAMINE (CAS# 7535-00-4); (M+K)+ | - | - | 6474.00 | - | - | - | - | - | ||
D-GALACTOSAMINE (CAS# 7535-00-4); (M+NA)+ | - | - | - | - | - | - | - | 18884.00 | ||
D-GLUCOSAMINE (CAS# 3416-24-8); (M+H)+ | 1121.00 | - | - | - | - | - | - | - | ||
D-GLUCOSAMINE (CAS# 3416-24-8); (M+NA)+ | - | - | - | - | - | - | - | 18884.00 | ||
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+NA)+ | - | - | - | - | 1623.00 | 2666.00 | - | - | ||
DIETHYLSTILBESTROL (CAS# 56-53-1); (M+H)+ | - | 1559.00 | - | - | - | - | - | - | ||
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA)+ | - | 3838.00 | - | 3299.00 | - | - | 5547.67 | 4799.67 | ||
D-LYXOSE (CAS# 1114-34-7); (M+NA)+ | - | - | - | - | 3471.00 | 5400.00 | 4873.50 | 4000.67 | ||
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+ | 1121.00 | - | - | - | - | - | - | - | ||
D-MANNOSAMINE (CAS# 14307-02-9); (M+K)+ | - | - | 6474.00 | - | - | - | - | - | ||
D-MANNOSAMINE (CAS# 14307-02-9); (M+NA)+ | - | - | - | - | - | - | - | 18884.00 | ||
DODECENOYLCARNITINE (*) II (CAS# 000-00-0); M+ | - | - | 10497.00 | 7988.50 | - | - | 6590.00 | - | ||
D-ORNITHINE (CAS# 348-66-3); (M+H)+ | 56916.75 | 39943.40 | 70897.00 | 37771.50 | 53901.00 | 43170.67 | 52448.40 | 42903.50 | ||
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O] | 22145.25 | 31614.17 | 34843.67 | 18187.20 | 29716.50 | 32679.83 | 37249.20 | 26816.50 | ||
DUMP (CAS# 964-26-1); (M+K)+ | - | - | - | - | - | 1784.00 | - | - | ||
EDTA (CAS# 60-00-4); (M+NA)+ | - | 2035.00 | - | 1208.00 | 1487.00 | 1440.00 | 1869.50 | 1037.00 | ||
EICOSADIENOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ | - | - | - | 1174.00 | - | - | 1163.00 | - | ||
EICOSANOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ | - | 1163.00 | - | 1496.25 | - | - | - | 1661.00 | ||
EICOSATRIENOYLCARNITINE (*) (CAS# 000-00-0); M+ | 16111.75 | 21004.83 | 21884.33 | 35902.20 | 13512.00 | 11547.00 | 14231.00 | 15303.50 | ||
EICOSENOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ | - | 3064.33 | 2081.00 | 3785.00 | - | - | 1465.00 | - | ||
ELAIDIC ACID (CAS# 112-79-8); (M+H)+ | 4117.75 | 5942.17 | 6209.67 | 6432.20 | 4325.00 | 3671.50 | 4469.83 | 4177.00 | ||
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ | 21245.00 | 34058.00 | 60029.00 | 53459.00 | 80072.00 | 28423.80 | 78084.00 | 43977.33 | ||
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+H)+ | 627313.50 | 613539.17 | 603555.33 | 629201.20 | 594441.75 | 600017.67 | 605787.50 | 594805.50 | ||
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+NA)+ | 4766736.50 | 5199874.50 | 4471643.67 | 4795535.00 | 4621166.25 | 5102000.67 | 4520084.33 | 4894481.33 | ||
ERYTHRITOL (CAS# 149-32-6); (M+NA)+ | 4869.00 | 4899.00 | 4422.00 | 3715.00 | - | - | - | 1876.00 | ||
ESTRADIOL-17BETA (CAS# 50-28-2); (M+NA)+ | - | 3575.00 | - | - | - | 4541.00 | - | 6576.00 | ||
ESTRONE (CAS# 53-16-7); (M+H)+ | - | - | 1225.00 | - | - | - | - | - | ||
ETHANOLAMINE (CAS# 141-43-5); (2M+NA)+[-H2O] | - | - | - | - | - | - | - | 1011.00 | ||
ETHANOLAMINE (CAS# 141-43-5); (M+NA)+ | 5046.00 | - | 7313.50 | - | 6969.00 | - | 4311.50 | 3830.00 | ||
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+ | - | 3754.00 | - | - | - | - | 1534.00 | - | ||
FERULATE (CAS# 1135-24-6); (M+H)+[-H2O] | - | - | - | - | 2048.00 | - | 2254.00 | - | ||
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+ | - | - | - | - | - | - | 6384.00 | - | ||
FRUCTOSE (CAS# 57-48-7); (M+NA)+ | 2940472.75 | 3602480.17 | 4279101.00 | 2760117.60 | 3137120.33 | 2422495.00 | 3150127.00 | 2218502.50 | ||
GALACTITOL OR DULCITOL (CAS# 608-66-2); (M+NA)+ | 34047.00 | 25468.00 | 39628.67 | 35173.00 | - | 29974.50 | 38315.50 | 24180.50 | ||
GALACTURONIC ACID (CAS# 91510-62-2); (2M+NA)+ | - | - | 1395.00 | - | - | - | 1890.00 | - | ||
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+H)+ | - | - | 1154.00 | - | 1008.00 | 3223.00 | 3394.00 | 2950.00 | ||
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+ | 95825.75 | 150192.83 | 70847.20 | 106129.60 | 97878.75 | 147661.33 | 74429.80 | 112481.20 | ||
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M+NA)+ | 2474.00 | - | 2973.00 | 2549.00 | - | 2474.00 | 2638.00 | 1839.50 | ||
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+ | 44150.75 | 40751.17 | 47585.00 | 46583.40 | 42558.75 | 42481.50 | 44479.17 | 41555.50 | ||
GLUCOSAMINATE (CAS# 3646-68-2); (M+NA)+ | - | - | - | - | - | - | 1248.00 | - | ||
GLUCOSAMINE 6-PHOSPHATE (CAS# 3616-42-0); (M+H)+[-H2O] | - | - | - | - | - | - | - | 1133.00 | ||
GLUCOSE (CAS# 50-99-7); (2M+NA)+ | 12126.75 | 10750.33 | 16459.67 | 9780.25 | 21762.00 | 8415.75 | 6698.00 | - | ||
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O] | 22145.25 | 31397.33 | 33861.33 | 18178.00 | 29682.75 | 32662.83 | 37137.20 | 26473.33 | ||
GLUCOSE (CAS# 50-99-7); (M+NA)+ | 2940472.75 | 3602480.17 | 4279553.20 | 2760117.60 | 3137120.33 | 2422495.00 | 3150127.00 | 2218502.50 | ||
GLUTAMATE (CAS# 56-86-0); (M+H)+ | 206227.00 | 164571.20 | 196370.75 | 192537.33 | 86663.25 | 18654.80 | 116229.67 | 87102.67 | ||
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O] | 65675.67 | 99688.17 | 123843.75 | 76118.50 | 49604.25 | 24334.50 | 30365.75 | 24546.50 | ||
GLUTAMINE (CAS# 56-85-9); (M+NA)+ | - | - | 26587.00 | - | - | - | - | - | ||
GLUTARATE (CAS# 110-94-1); (M+NA)+ | 1254.00 | - | - | - | - | 1992.00 | - | 1063.00 | ||
GLUTARYLCARNITINE (*) (CAS# 102636-82-8); (M+H)+ | 1229569.50 | 1110144.67 | 1695665.83 | 989845.40 | 1332670.75 | 1116419.33 | 1552253.00 | 1516666.00 | ||
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2 | - | - | - | 2031.67 | - | - | - | - | ||
GLYCERALDEHYDE (CAS# 367-47-5); (2M+H)+[-H2O] | 16627.50 | 6959.50 | 12104.33 | - | 29123.00 | 19145.00 | 16024.00 | 14639.33 | ||
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+ | 1416.00 | 3923.00 | 1477.00 | - | 1007.00 | - | - | - | ||
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+H)+[-H2O] | - | - | 1181.00 | 3134.00 | - | - | - | 1114.00 | ||
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+ | 8755.50 | 11324.33 | 11239.00 | 4617.67 | 4372.00 | 1519.50 | - | 2911.75 | ||
GLYCOCHOLATE (CAS# 475-31-0); (2M+NA)+ | - | - | 2514.00 | - | - | - | - | - | ||
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+ | 4022.00 | 3669.33 | 14457.67 | 6452.50 | 3427.50 | 2668.00 | - | 6762.00 | ||
GLYCOCHOLATE (CAS# 475-31-0); (M+H)+[-H2O] | 7320.00 | 5278.00 | 24877.25 | 10797.50 | 4428.00 | 7184.67 | - | 12337.33 | ||
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+ | 40744.00 | 48447.67 | 101000.00 | 56345.60 | 44883.33 | 34657.83 | 16869.00 | 52954.67 | ||
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+ | - | 5368.00 | 12883.50 | 9571.50 | 17668.00 | - | 21281.00 | - | ||
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M+NA)+[-H2O] | - | 1025.00 | - | - | - | - | 4613.50 | - | ||
GUANINE (CAS# 73-40-5); (M+H)+ | 18626.00 | - | 111467.00 | 40919.00 | 52041.00 | 80293.60 | 6287.00 | 78128.00 | ||
HEXANOYLCARNITINE (*) (CAS# 66279-77-4); M+ | 10381.50 | 10319.17 | 16150.33 | 13436.80 | 8858.00 | 5697.00 | 13028.50 | 10030.33 | ||
HIPPURATE (CAS# 495-69-2); (M+H)+ | 180431.25 | 122822.17 | 187787.33 | 98041.20 | 200934.00 | 250272.33 | 300540.17 | 251966.50 | ||
HIPPURATE (CAS# 495-69-2); (M+NA)+ | 314615.50 | 229488.50 | 327495.83 | 173738.60 | 352430.00 | 466289.33 | 526186.83 | 467819.50 | ||
HISTAMINE (CAS# 51-45-6); (M+H)+ | 34747.50 | 13448.17 | 12119.20 | 9440.00 | 11843.00 | 18862.60 | 14170.17 | 13931.67 | ||
HISTAMINE (CAS# 51-45-6); (M+NA)+ | - | - | - | - | - | - | - | 1600.00 | ||
HOMOCYSTEINE (CAS# 454-29-5); (M+H)+ | - | - | - | - | - | 50255.75 | 43528.00 | 42583.00 | ||
HOMOCYSTINE (CAS# 462-10-2); (M+H)+ | - | 2275.00 | 1441.00 | - | - | - | - | - | ||
HOMOGENTISATE (CAS# 451-13-8); (M+H)+ | - | - | 40427.00 | 2185.00 | 34718.00 | - | 29969.00 | 34992.50 | ||
HOMOSERINE (CAS# 672-15-1); (M+NA)+ | 7368.00 | 6323.00 | 9821.33 | 8255.67 | 5600.00 | - | 5249.00 | 4763.00 | ||
HOMOVANILLATE (CAS# 306-08-1); (M+H)+ | - | 7303.00 | 9709.00 | - | 8236.00 | 6760.00 | - | 9750.00 | ||
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)+[-H2O] | 12888.00 | 30479.00 | 15936.50 | 44585.00 | 31901.00 | 11461.00 | - | 46920.00 | ||
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+NA)+ | 1864.00 | 4657.50 | 4398.25 | 3304.25 | 3443.50 | 1406.00 | 4042.40 | 1956.00 | ||
IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M+H)+ | - | 2888.00 | 1004.00 | - | - | 1234.00 | - | - | ||
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ | 457880.50 | 360657.00 | 581549.83 | 796827.67 | 635003.75 | 593822.50 | 722193.67 | 444725.00 | ||
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+H)+ | 1127.00 | - | - | - | - | - | - | - | ||
INDOLE-3-ACETAMIDE (CAS# 879-37-8); (M+NA)+ | - | - | - | - | - | - | - | 4337.00 | ||
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+ | 41064.75 | 20871.83 | 19341.00 | 14076.40 | 23715.25 | 18259.17 | 25503.50 | 14784.67 | ||
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+ | 17718.50 | 9767.00 | 7207.50 | 5703.40 | 11546.67 | 8997.00 | 10068.67 | 5419.00 | ||
INDOLE-3-ETHANOL (CAS# 526-55-6); (M+H)+ | - | - | - | - | 3703.00 | - | - | - | ||
ISO-BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+ | 394001.00 | 175972.17 | 221616.50 | 115386.00 | 392284.25 | 429309.67 | 491163.17 | 392532.50 | ||
ISOLEUCINE (CAS# 73-32-5); (M+H)+ | 29825000.00 | 24916666.67 | 38016666.67 | 28860000.00 | 31875000.00 | 27583333.33 | 36783333.33 | 33000000.00 | ||
ISOLEUCINE (CAS# 73-32-5); (M+NA)+ | 79504.00 | 78847.00 | 119536.60 | 104506.00 | - | 40923.00 | 110885.25 | - | ||
ISOVALERYLCARNITINE (*) (CAS# 31023-24-2); (M+H)+ | 86958.00 | 58180.67 | 74160.50 | 76904.40 | 97125.00 | 92985.00 | 142479.83 | 112688.00 | ||
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ | - | - | - | - | - | - | - | 1079.00 | ||
KYNURENIC ACID (CAS# 492-27-3); (M+H)+ | 25530.67 | 22409.67 | 25496.60 | 21174.00 | 18284.25 | 24569.20 | 32948.40 | 23024.40 | ||
KYNURENIC ACID (CAS# 492-27-3); (M+NA)+ | 1477.00 | - | - | 1196.00 | - | - | 1636.00 | 1427.00 | ||
KYNURENINE (CAS# 343-65-7); (M+H)+ | 235683.25 | 292521.50 | 287965.83 | 284801.40 | 201137.00 | 255561.17 | 339349.50 | 206597.17 | ||
KYNURENINE (CAS# 343-65-7); (M+NA)+ | - | - | 2408.00 | 4559.00 | - | 3772.50 | 4242.00 | 4126.00 | ||
LACTOSE (CAS# 63-42-3); (M+NA)+ | 22145.25 | 31339.67 | 34843.67 | 18187.20 | 30170.00 | 32846.00 | 35660.67 | 26502.00 | ||
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O] | 5594.50 | 13577.67 | 22048.40 | 36308.33 | 31562.00 | 3455.33 | 12229.60 | 3102.00 | ||
LANOSTEROL (CAS# 79-63-0); (M+NA)+ | 3596.00 | - | 5424.25 | 3657.00 | 5420.00 | 8708.00 | 6780.75 | 4535.00 | ||
LANTHIONINE (CAS# 3183-08-2); (M+H)+ | - | 3295.00 | 1983.00 | - | - | - | - | - | ||
L-ARGININE (CAS# 74-79-3); (M+H)+ | 31169.75 | 20284.33 | 43576.00 | 52122.60 | 28561.00 | 33412.50 | 18765.67 | 163697.83 | ||
L-ARGININE (CAS# 74-79-3); (M+NA)+ | 34307.50 | 23550.67 | 38993.00 | 52290.20 | 33967.25 | 37966.00 | 30519.40 | 73139.17 | ||
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+ | - | - | - | - | 1456.00 | - | - | - | ||
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+ | 7913.33 | 6677.00 | 9886.33 | 12093.80 | 6450.00 | 3926.40 | 7787.00 | 7130.50 | ||
LEUCINE (CAS# 328-39-2); (M+H)+ | 29800000.00 | 24916666.67 | 38000000.00 | 28860000.00 | 31875000.00 | 27566666.67 | 36766666.67 | 32983333.33 | ||
LEUCINE (CAS# 328-39-2); (M+NA)+ | 79504.00 | 78847.00 | 119536.60 | 104506.00 | - | 40923.00 | 110885.25 | - | ||
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+ | 1790.00 | - | 3271.00 | - | - | - | 2450.00 | 1538.00 | ||
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O] | 2125.50 | 2942.00 | 3613.00 | 5739.50 | - | 75446.00 | 1966.67 | 2562.50 | ||
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+ | 32495.00 | 32445.00 | 94984.67 | 113975.60 | 40118.75 | 29020.83 | 85182.83 | 58866.17 | ||
L-HISTIDINE (CAS# 71-00-1); (M+H)+ | 12175.25 | 8970.00 | 10854.40 | 14449.20 | 10149.50 | 9545.50 | 7676.20 | 12646.17 | ||
L-HISTIDINE (CAS# 71-00-1); (M+NA)+ | 8601.00 | 7736.00 | 23047.00 | 5275.67 | 7255.25 | 8237.67 | 5515.00 | 9245.25 | ||
LINOLEOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ | 13656.25 | 15075.17 | 20291.17 | 21085.20 | 12085.25 | 7768.80 | 13841.17 | 12420.67 | ||
LIPOAMIDE (CAS# 940-69-2); (M+NA)+ | - | - | - | - | - | 5496.00 | - | - | ||
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ | 1837.50 | - | 2209.00 | - | - | 2522.67 | 1120.00 | 3500.25 | ||
L-ORNITHINE (CAS# 70-26-8); (M+H)+ | 56916.75 | 40932.60 | 70219.00 | 36879.25 | 53901.00 | 43981.50 | 51882.00 | 43577.33 | ||
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ | 781128.00 | 732974.00 | - | - | 748329.00 | - | - | - | ||
LYSINE (CAS# 56-87-1); (M+H)+ | 103928.00 | 79971.33 | 131668.17 | 78143.50 | 83765.75 | 66286.50 | 85967.67 | 108077.40 | ||
LYSINE (CAS# 56-87-1); (M+NA)+ | 26236.67 | 18314.33 | 36403.25 | 19062.00 | 17771.00 | 15251.50 | 21682.33 | 51999.00 | ||
MALATE (CAS# 636-61-3); (M+NA)+ | - | - | - | 6627.00 | - | - | - | - | ||
MALTOSE (CAS# 69-79-4); (M+NA)+ | 22145.25 | 31614.17 | 34798.50 | 18187.20 | 29716.50 | 33007.33 | 37062.83 | 26816.50 | ||
MANNITOL (CAS# 69-65-8); (M+NA)+ | 34047.00 | 27377.00 | 39628.67 | 35173.00 | - | 31055.75 | 38315.50 | 24180.50 | ||
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+NA)+ | - | - | - | - | 1179.00 | 2666.00 | - | - | ||
MELATONIN (CAS# 73-31-4); (M+NA)+ | 4035.00 | 6693.00 | 1922.00 | - | - | 3640.50 | 1904.00 | - | ||
MELIBIOSE (CAS# 585-99-9); (M+NA)+ | 22145.25 | 31378.67 | 34798.50 | 18187.20 | 29716.50 | 32797.17 | 37062.83 | 26478.50 | ||
METHIONINE (CAS# 63-68-3); (M+H)+ | 959256.75 | 1013621.00 | 2240231.75 | 1026096.40 | 1370758.50 | 2638292.00 | 1092450.40 | 3862048.00 | ||
METHYL ACETOACETATE (CAS# 105-45-3); (2M+H)+ | - | - | - | 1314.00 | - | - | - | - | ||
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ | 9112.00 | 9627.25 | 5997.75 | 8811.75 | 10208.33 | 16692.67 | 16591.67 | 13849.00 | ||
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+ | 3510.00 | - | - | 1333.00 | - | 2041.00 | - | - | ||
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ | 41316.75 | 43001.50 | 39270.67 | 40416.80 | 38381.50 | 37638.83 | 40386.83 | 36210.33 | ||
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+ | 7923.00 | 4069.50 | - | - | 8355.50 | 7715.00 | - | 5012.00 | ||
M-HYDROXYMANDELIC ACID (CAS# 17119-15-2); (M+NA)+[-H2O] | - | - | - | 1640.00 | - | 3527.00 | 2917.00 | - | ||
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+ | 9953.33 | 13786.67 | 14369.33 | 13261.00 | 14103.67 | 9705.00 | 9954.00 | 15386.60 | ||
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ | 2940472.75 | 3602480.17 | 4266917.00 | 2760117.60 | 3137120.33 | 2422495.00 | 3150127.00 | 712981.00 | ||
MYRISTOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+ | - | 16541.67 | 22382.00 | 29119.00 | - | 10632.00 | 14379.50 | 12498.20 | ||
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H2O] | - | - | 1065.00 | - | - | - | - | - | ||
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+NA)+ | 13305.00 | - | 13931.00 | - | 15349.00 | - | 15834.00 | - | ||
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+ | - | - | - | 2992.00 | - | - | - | - | ||
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ | 4387.00 | - | 4286.00 | 6910.00 | 6149.00 | - | 11840.00 | 13792.50 | ||
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ | - | - | 5015.50 | - | - | - | 3664.00 | 5343.00 | ||
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O] | - | - | - | - | - | 4217.00 | - | 2834.00 | ||
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ | - | 9413.00 | 13123.50 | - | 8585.50 | 11511.20 | - | 14818.40 | ||
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+ | 206227.00 | 164571.20 | 164313.80 | 192537.33 | 119543.50 | 87123.40 | 146844.67 | 129084.33 | ||
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O] | 1527218.50 | 2484967.67 | 2113991.33 | 1355830.20 | 2142355.00 | 1095845.33 | 1515324.17 | 1876156.83 | ||
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+NA)+ | 6044.00 | 71978.00 | 62231.67 | 52785.50 | 3862.00 | 5511.50 | 5943.00 | 6025.00 | ||
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+NA)+ | 8705.00 | - | 13931.00 | - | 15349.00 | - | 15253.00 | - | ||
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+ | 21989.75 | 28666.33 | 41711.67 | 28954.20 | 31872.00 | 36090.33 | 72401.17 | 41900.50 | ||
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+ | 40661.00 | 36301.83 | 58845.20 | 36522.80 | 40468.25 | 45201.83 | 95515.67 | 54492.17 | ||
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2O] | - | - | 1065.00 | - | - | - | - | - | ||
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+NA)+ | 8072.00 | 8324.00 | 10455.50 | 12542.00 | - | - | 13333.33 | - | ||
N-ACETYLGLYCINE (CAS# 543-24-8); (M+NA)+ | - | - | - | - | - | 2647.00 | - | 2426.00 | ||
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O] | 2708.00 | - | 1698.00 | 3796.50 | - | 3511.00 | - | 1426.50 | ||
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ | 26222.50 | 26900.67 | 17130.40 | 26327.60 | 32527.33 | 35206.20 | 29138.00 | 18688.67 | ||
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O] | - | - | 1862.00 | - | - | - | - | - | ||
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+ | 3007.50 | 3329.80 | 3862.33 | 3807.80 | 3209.50 | 3593.50 | 4809.40 | 3664.50 | ||
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ | 7943.50 | 5843.67 | 8030.17 | 5767.00 | 8762.25 | 7080.17 | 13097.17 | 7163.40 | ||
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ | 41360.00 | 22854.00 | 31771.00 | 24663.00 | 25953.00 | 20845.67 | 44110.83 | 24026.25 | ||
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+H)+ | 47010.50 | 42745.83 | 70449.83 | 45797.20 | 57226.25 | 56386.33 | 67326.67 | 67807.33 | ||
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+ | 101656.50 | 96014.50 | 149253.33 | 99472.00 | 117931.25 | 122743.00 | 142425.17 | 147123.83 | ||
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+ | 17520.00 | 18143.00 | 28516.67 | 26228.40 | 16486.00 | 13853.75 | 21017.83 | 14666.33 | ||
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+ | 12494.75 | 13866.00 | 17115.17 | 15642.60 | 10037.00 | 12698.67 | 15192.67 | 10937.67 | ||
N-ACETYLSEROTONIN (CAS# 1210-83-9); (2M+H)+ | - | - | 7404.00 | - | - | - | - | - | ||
N-ACETYLSEROTONIN (CAS# 1210-83-9); (M+H)+ | 2995.00 | - | 3851.00 | - | - | 1607.00 | 3551.50 | 2036.00 | ||
N-ACETYLSEROTONIN (CAS# 1210-83-9); (M+NA)+ | 17954.00 | - | 14986.00 | 14334.00 | - | - | - | - | ||
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+ | 38148.00 | 27026.33 | 33633.00 | 25123.50 | 39884.75 | 24007.00 | 41796.50 | 75585.00 | ||
NAPROXEN (CAS# 22204-53-1); (M+H)+ | - | - | - | - | 3212.00 | - | 2407.50 | - | ||
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+ | 6170.25 | 9805.00 | 5899.50 | 5530.50 | 6838.50 | - | 5357.00 | 8255.00 | ||
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ | 3680.00 | 6500.60 | 3184.50 | 4242.33 | 5298.50 | - | 3739.00 | 4725.67 | ||
NICOTINAMIDE (CAS# 98-92-0); (M+H)+ | 228547.67 | 224433.80 | 255669.33 | 241340.67 | 241870.25 | 247072.40 | 227303.50 | 208621.00 | ||
NICOTINAMIDE MONONUCLEOTIDE (CAS# 1094-61-7); (M+H)+ | - | - | - | 1113.00 | - | - | - | - | ||
NICOTINATE (CAS# 59-67-6); (M+H)+ | 25827.25 | 66902.00 | 10857.00 | 102280.00 | 38212.00 | 107763.50 | 22714.50 | 133915.17 | ||
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+ | 206227.00 | 164571.20 | 196370.75 | 192537.33 | 86663.25 | 18654.80 | 116229.67 | 87102.67 | ||
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+NA)+ | 6044.00 | 80044.67 | 62231.67 | 9598.00 | 3862.00 | 4728.33 | 5943.00 | 6025.00 | ||
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O] | 30538.00 | 38773.50 | 50240.60 | 37273.40 | 47463.75 | 48573.67 | 62648.20 | 50647.60 | ||
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+ | 35429.50 | 28321.00 | - | - | 23329.50 | - | - | - | ||
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+[-H2O] | - | - | 22170.00 | - | - | 15348.00 | 24764.25 | - | ||
N^-NITROSONORNICOTINE (CAS# 80508-23-2); (M+H)+ | 3365.00 | - | 1962.00 | - | - | 2561.00 | - | - | ||
NONANOATE (CAS# 112-05-0); (M+NA)+ | - | - | 1615.00 | - | - | - | - | - | ||
NORADRENALINE (CAS# 51-41-2); (M+H)+ | 5569.00 | - | 2337.50 | - | 4441.50 | 2255.00 | 3587.00 | 3550.00 | ||
NORADRENALINE (CAS# 51-41-2); (M+H)+[-H2O] | - | - | - | - | - | - | 1031.00 | - | ||
NORLEUCINE (CAS# 327-57-1); (M+H)+ | 29825000.00 | 24916666.67 | 38016666.67 | 28860000.00 | 31875000.00 | 27583333.33 | 36766666.67 | 32983333.33 | ||
NORMETANEPHRINE (CAS# 97-31-4); (M+H)+ | 2425.00 | 1456.00 | 3639.20 | 2849.00 | 2369.00 | 3187.00 | 3659.40 | 2565.00 | ||
NORMETANEPHRINE (CAS# 97-31-4); (M+H)+[-H2O] | 861904.25 | 863432.67 | 799524.00 | 722022.20 | 917783.75 | 840140.17 | 749172.00 | 689437.20 | ||
NORVALINE (CAS# 6600-40-4); M+[-CO2H] | 1836583.75 | 1551881.33 | 2487862.00 | 1664718.00 | 2187270.00 | 1884996.33 | 2277898.33 | 2288866.67 | ||
NORVALINE (CAS# 6600-40-4); (M+H)+ | 4046069.00 | 2589015.00 | 3953869.83 | 3109752.20 | 4226392.75 | 3133821.33 | 4160293.67 | 4274480.83 | ||
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+ | 9770.33 | 9530.17 | 10854.00 | 7013.00 | 11509.33 | 8457.00 | 7310.75 | 10251.00 | ||
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+NA)+ | - | 2513.00 | - | - | 1469.00 | 3798.00 | 3248.00 | 3457.00 | ||
OCTANOYLCARNITINE (*) (CAS# 38263-56-8); (M+H)+ | 5631.67 | 6803.50 | 12542.33 | 11214.00 | 4208.25 | 2753.40 | 7934.00 | 7120.83 | ||
OCTENOYLCARNITINE (*) (CAS# 000-00-0); M+ | 1580.00 | - | 1226.00 | - | - | - | - | - | ||
OLEAMIDE (CAS# 301-02-0); (M+H)+ | 1956.50 | - | 1122.00 | 17324.00 | - | 33782.00 | 7168.00 | 1787.00 | ||
OLEAMIDE (CAS# 301-02-0); (M+NA)+ | - | - | - | 120722.00 | - | 326488.00 | - | - | ||
OLEIC ACID (CAS# 112-80-1); (M+NA)+ | 29579.25 | 36472.33 | 39646.50 | 57988.60 | 28024.50 | 27184.17 | 39212.83 | 33580.33 | ||
OLEOYLCARNITINE (*) (CAS# 13962-05-5); (M+H)+ | 37369.25 | 49275.50 | 58463.50 | 77901.20 | 31135.50 | 19411.67 | 37758.17 | 34925.33 | ||
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M+H)+[-H2O] | - | - | - | - | - | - | - | 1265.00 | ||
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ | - | 6353.50 | 5535.00 | - | - | - | - | 2902.00 | ||
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M+H)+ | 1358.00 | 1049.00 | - | - | - | 1275.00 | - | - | ||
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2 | - | - | - | 2031.67 | - | - | - | - | ||
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M+... | - | - | - | - | - | - | - | 1999.00 | ||
PALATINOSE (CAS# 343336-76-5); (M+NA)+ | 22145.25 | 31614.17 | 34798.50 | 18178.00 | 29716.50 | 33005.67 | 36969.50 | 26473.33 | ||
PALMITOLEYLCARNITINE (*) (CAS# 000-00-0); M+ | - | - | 11343.00 | - | - | - | 6970.50 | - | ||
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ | 40380.00 | 48789.67 | 53789.00 | 81341.60 | 33679.75 | 23273.40 | 38620.60 | 33906.33 | ||
PANTOTHENATE (CAS# 79-83-4); (M+H)+ | 213544.25 | 173598.00 | 185834.50 | 123311.60 | 180295.50 | 188088.50 | 176614.67 | 139791.67 | ||
PANTOTHENATE (CAS# 79-83-4); (M+NA)+ | 218424.25 | 180498.50 | 173458.50 | 132111.20 | 186954.50 | 204108.50 | 188868.00 | 172568.20 | ||
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ | 30561.00 | 23872.00 | 25406.33 | 20816.00 | 44338.00 | 40823.00 | 27306.75 | 39157.67 | ||
PENICILLAMINE (CAS# 52-67-5); (2M+H)+[-H2] | - | 2126.00 | 11300.00 | - | - | - | - | 22766.50 | ||
PHENYL ACETATE (CAS# 122-79-2); (M+H)+ | - | - | - | - | - | 1075.00 | - | - | ||
PHENYLALANINE (CAS# 63-91-2); (M+H)+ | 90239.50 | 223820.33 | 94244.67 | 243996.00 | 532152.00 | 316060.50 | 205987.00 | 119579.00 | ||
PHENYLALANINE (CAS# 63-91-2); (M+NA)+ | 2641.00 | 3260.50 | 4015.00 | 3401.00 | 4856.33 | 3355.50 | - | 59640.00 | ||
PHENYLEPHRINE (CAS# 59-42-7); (M+H)+ | - | - | - | - | - | - | - | 1275.00 | ||
PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+ | 1123.50 | 6601.00 | - | - | - | 4129.50 | 3411.00 | - | ||
PHTHALATE (CAS# 88-99-3); (M+NA)+ | - | 1629.00 | - | - | - | - | - | - | ||
PICOLINIC ACID (CAS# 98-98-6); (M+H)+ | 15311.75 | 66904.50 | 10864.00 | 102309.60 | 38666.75 | 108388.50 | 22731.50 | 133286.33 | ||
PINITOL (CAS# 10284-63-6); (M+NA)+ | 9768.33 | 9094.75 | 5870.00 | 7929.50 | 10996.25 | 16281.67 | 14868.60 | 14770.25 | ||
PIPECOLATE (CAS# 535-75-1); (M+H)+ | 106477.25 | 266041.83 | 354485.17 | 124329.80 | 30242.75 | 101609.83 | 230928.33 | 39294.17 | ||
PIPECOLATE (CAS# 535-75-1); (M+NA)+ | 7581.00 | 8898.17 | 6385.33 | 7970.40 | 8315.00 | 8138.00 | 10426.00 | 8141.17 | ||
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+ | 1045.00 | - | - | - | - | 1245.00 | 22253.50 | - | ||
PROGESTERONE (CAS# 57-83-0); (M+H)+ | - | 2272.50 | 2136.00 | 2648.25 | - | 2276.00 | 2349.00 | - | ||
PROLINE (CAS# 147-85-3); (M+H)+ | 1015171.50 | 749464.33 | 1253843.17 | 864745.40 | 1018198.25 | 1013979.17 | 1228231.33 | 1240128.83 | ||
PROLINE (CAS# 147-85-3); (M+NA)+ | - | - | 6109.67 | 110974.00 | 4061.00 | 136642.67 | 4058.00 | 225699.25 | ||
PROPIONYLCARNITINE (*) (CAS# 17298-37-2); (M+H)+ | 279046.50 | 109115.83 | 288486.50 | 193563.80 | 321340.00 | 156281.40 | 449996.00 | 381487.60 | ||
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+ | - | 200970.67 | 123021.00 | 182222.20 | 131537.67 | 191740.50 | 116369.00 | 138109.75 | ||
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+H)+[-H2O] | 4349.00 | 4526.00 | 17290.25 | 42686.50 | 37894.67 | 10376.20 | 20726.60 | 18695.00 | ||
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+ | 7505.50 | 9118.67 | 15790.00 | 11210.60 | 20433.00 | 9619.60 | 17407.50 | 9525.00 | ||
PROTOPORPHYRIN (CAS# 553-12-8); (M+H)+ | - | - | - | - | - | 1173.50 | - | - | ||
PTERIN (CAS# 2236-60-4); (M+H)+ | 15584.00 | 38246.00 | - | 24446.00 | 33047.00 | 23109.00 | 10139.33 | 25973.50 | ||
PURINE (CAS# 120-73-0); (M+H)+ | 46557.00 | 338669.00 | - | - | 386873.00 | - | - | - | ||
PURINE (CAS# 120-73-0); (M+NA)+ | 9386.00 | 8578.00 | - | - | - | 12587.00 | - | 6217.50 | ||
PYRIDOXAL (CAS# 66-72-8); (M+H)+ | - | - | - | - | 5008.00 | 21321.00 | - | - | ||
PYRIDOXINE (CAS# 65-23-6); (M+H)+ | - | - | 2545.00 | - | - | 1798.00 | - | - | ||
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+ | 54057.50 | 64199.00 | 51978.50 | 58025.80 | 48135.75 | 64590.00 | 46352.50 | 51566.00 | ||
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+ | 50834.75 | 57164.50 | 44838.83 | 47377.00 | 41972.00 | 61647.17 | 39536.17 | 37273.50 | ||
QUINOLINE (CAS# 91-22-5); (M+H)+ | - | - | - | - | - | - | - | 79692.00 | ||
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+ | - | 6474.00 | - | - | 1329.00 | - | - | 4124.00 | ||
RAFFINOSE (CAS# 512-69-6); (M+NA)+ | 1037.00 | 2802.00 | - | - | 2204.00 | 2234.75 | 1697.80 | 1547.50 | ||
RIBOFLAVIN (CAS# 83-88-5); (M+H)+ | 2161.33 | 1685.00 | 2943.00 | 2820.00 | 1495.67 | 2488.00 | 2607.20 | 2505.33 | ||
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+ | 2283.00 | 1359.67 | 2563.67 | 2073.33 | 1775.33 | 1896.00 | 2412.50 | 2218.67 | ||
RIBOSE (CAS# 50-69-1); (M+NA)+ | - | - | - | - | 3471.00 | 5400.00 | 4873.50 | 4000.67 | ||
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ | 6920.75 | 5741.00 | 9400.50 | 8007.50 | 8988.25 | 9901.50 | 9979.67 | 10676.67 | ||
SARCOSINE (CAS# 107-97-1); (M+H)+ | 33059.50 | 42825.17 | 51153.67 | 40406.20 | 41649.00 | 35345.67 | 43417.83 | 41853.00 | ||
SEBACIC ACID (CAS# 111-20-6); (M+NA)+ | 3740.00 | 3212.00 | 3076.00 | 1099.00 | - | - | 2880.00 | 1016.00 | ||
SELENOMETHIONINE (CAS# 1464-42-2); (M+H)+ | 8846.00 | 6155.00 | - | 8338.00 | - | 5547.00 | 5468.00 | - | ||
SELENOMETHIONINE (CAS# 1464-42-2); (M+NA)+ | - | - | - | - | 1399.00 | - | - | - | ||
SERINE (CAS# 56-45-1); (M+H)+ | 12483.00 | 12192.60 | 30707.00 | 11325.00 | 14819.33 | 19767.25 | 7690.50 | 27766.40 | ||
SEROTONIN (CAS# 50-67-9); (M+H)+ | 173104.00 | 132226.80 | 166348.50 | 177992.20 | 198833.00 | 208250.00 | 256039.60 | 161040.40 | ||
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O] | - | - | 1127.00 | - | - | 3800.00 | 2673.00 | - | ||
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ | 410690.00 | 886807.50 | 497842.17 | 634034.80 | 391681.25 | 674251.83 | 466363.00 | 417216.83 | ||
SPERMIDINE (CAS# 124-20-9); (M+H)+ | 123615.50 | 78523.50 | 85949.00 | 71975.20 | 136563.50 | 80797.00 | 90107.67 | 58791.33 | ||
SPHINGANINE (CAS# 764-22-7); (M+H)+ | 9697.00 | 9754.20 | 14571.50 | 14662.25 | 7096.50 | 8257.33 | 10047.50 | 13016.00 | ||
SPHINGANINE (CAS# 764-22-7); (M+NA)+ | 14220.50 | 16630.67 | 21999.00 | 21514.25 | 12285.00 | 15292.25 | 10279.67 | 19165.00 | ||
STACHYOSE (CAS# 54261-98-2); (M+NA)+ | 2794.33 | 3551.83 | 2819.00 | 2621.00 | 3169.75 | 3554.00 | 3417.50 | 4020.00 | ||
STEAROYLCARNITINE (*) (CAS# 1976-27-8); (M+H)+ | 19870.75 | 21361.17 | 23798.50 | 29500.60 | 19280.50 | 13605.00 | 19662.17 | 19282.67 | ||
SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O] | - | - | - | - | 3910.00 | - | - | 6845.00 | ||
SUBERIC ACID (CAS# 505-48-6); (M+NA)+ | 10151.00 | 32245.33 | 24093.50 | 21293.33 | 23090.50 | 11304.00 | 16665.00 | 24626.50 | ||
SUCROSE (CAS# 57-50-1); (M+NA)+ | 22145.25 | 31614.17 | 34798.50 | 18178.00 | 29716.50 | 33005.67 | 36969.50 | 26473.33 | ||
TAURINE (CAS# 107-35-7); (M+NA)+ | 10258.50 | 13395.00 | 20580.20 | 27608.00 | 6225.75 | 5114.00 | 18089.33 | 2894.00 | ||
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+H)+[-H2O] | - | 5766.00 | - | 1245.00 | 1378.00 | 1214.00 | - | - | ||
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+ | 11341.00 | 8955.00 | 11954.00 | - | 2596.00 | - | 8994.00 | - | ||
TAUROCHOLATE (CAS# 81-24-3); (M+H)+[-H2O] | 8639.00 | 2047.00 | 21992.00 | - | - | - | 7095.00 | - | ||
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+ | 33847.00 | 22028.33 | 43901.00 | 11187.00 | 9955.25 | 7038.20 | 22974.83 | 5556.80 | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+H)+ | - | - | - | - | 1997.00 | 4894.00 | 2074.00 | - | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M+NA)+ | 3133.00 | 3010.00 | 1664.33 | 1650.00 | 4301.50 | 7547.50 | 3265.50 | 2514.00 | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+ | - | 1065.00 | - | - | - | - | 1114.00 | - | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+[-H2O] | - | 3570.00 | - | - | - | - | - | - | ||
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ | 2082.00 | - | - | - | 1360.00 | - | - | - | ||
TETRADECADIENOYLCARNITINE (*) (CAS# 000-00-0); M+ | 2203.50 | - | 3646.50 | 3601.50 | - | - | 2626.00 | 3446.00 | ||
TETRADECENOYLCARNITINE (*) (CAS# 000-00-0); M+ | 6637.00 | 8697.00 | 10538.20 | 11140.00 | 5495.00 | 3102.00 | 6367.25 | 6212.00 | ||
THEOBROMINE (CAS# 83-67-0); (M+NA)+ | 23036.00 | 62906.00 | 57793.00 | - | 43543.00 | 84851.33 | 34853.50 | 47860.60 | ||
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ | 28466.00 | 15367.00 | 19440.00 | 18748.40 | 37229.00 | 40532.00 | 26650.80 | 39157.67 | ||
THREONINE (CAS# 72-19-5); (M+H)+[-H2O] | 38297.75 | 26091.80 | 46401.67 | 49085.00 | 54666.75 | 53787.50 | 30683.00 | 70974.17 | ||
THROMBOXANE B2 (CAS# 54397-85-2); (M+H)+[-H2O] | - | 200970.67 | 85860.67 | 182222.20 | 131537.67 | 191740.50 | 116369.00 | 155466.75 | ||
THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+ | 102672.00 | 149679.17 | 146028.33 | 136925.80 | 140398.25 | 79541.33 | 130871.00 | 113321.67 | ||
THYMIDINE 5^-MONOPHOSPHATE (CAS# 365-07-1); (M+H)+ | - | - | - | 1138.00 | - | 1626.00 | 1305.00 | - | ||
THYMIDINE (CAS# 50-89-5); (M+H)+ | - | - | 16038.00 | - | - | - | - | 14404.00 | ||
THYMIDINE (CAS# 50-89-5); (M+NA)+ | 56365.00 | 49234.50 | 49663.00 | 57190.40 | 53359.25 | 48200.67 | 46698.33 | 41786.83 | ||
THYROXINE (CAS# 51-48-9); (M+H)+ | 2922.00 | 2492.00 | 3697.50 | 2826.60 | 2596.67 | 2631.80 | 3192.83 | 2344.50 | ||
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M+H)+ | 5322.50 | 3215.60 | 3933.80 | 8576.67 | 4990.00 | 7301.00 | 5324.33 | 7275.00 | ||
TRANS-ACONITATE (CAS# 4023-65-8); (M+NA)+ | - | - | - | - | - | 1094.00 | - | - | ||
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+ | - | 3861.33 | 3848.00 | 6475.00 | 1014.00 | - | 4634.50 | - | ||
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+ | 3844.00 | 1393.00 | 1554.50 | 3098.50 | 2672.00 | 1180.50 | 1591.33 | 22681.00 | ||
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+NA)+ | - | - | 1705.00 | 1222.00 | - | 1402.00 | 1206.00 | - | ||
TRYPTOPHAN (CAS# 73-22-3); (M+H)+ | 10837420.50 | 10950000.00 | 12850000.00 | 12100000.00 | 11525000.00 | 12540316.83 | 14016666.67 | 12166666.67 | ||
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ | 510868.00 | 526549.83 | 536274.67 | 560697.80 | 548566.00 | 615932.83 | 629031.17 | 537652.33 | ||
TYROSINE (CAS# 60-18-4); (M+H)+ | 6117979.25 | 4762019.00 | 8357681.17 | 5206986.40 | 4228613.75 | 5538450.67 | 6599415.83 | 6600178.00 | ||
TYROSINE (CAS# 60-18-4); (M+NA)+ | 49731.25 | 44403.33 | 70135.60 | 48661.50 | 45566.00 | 49653.00 | 62878.40 | 51655.50 | ||
URATE (CAS# 69-93-2); (M+H)+ | 520835.67 | 325638.00 | 369361.00 | 346919.00 | 324787.33 | 302878.00 | 455184.33 | 326905.00 | ||
URIDINE (CAS# 58-96-8); (M+H)+ | - | - | - | 4581.00 | - | - | - | 2586.00 | ||
URIDINE (CAS# 58-96-8); (M+NA)+ | 11598.00 | 16618.00 | 14105.00 | 22980.33 | 10136.50 | 20240.00 | 9930.00 | 15868.00 | ||
UROCANATE (CAS# 104-98-3); (M+H)+ | 517884.33 | 463265.50 | 924105.00 | 332274.00 | 338018.00 | 365371.40 | 616881.00 | 256438.50 | ||
URSODIOL (CAS# 128-13-2); (M+NA)+ | 33446.00 | 47966.00 | 45130.33 | 42038.67 | 32623.25 | 14445.33 | 28577.33 | 20150.67 | ||
VALINE (CAS# 72-18-4); (M+H)+ | 3951845.33 | 2587349.33 | 3947902.67 | 3055431.80 | 4224646.75 | 3150452.50 | 4160192.00 | 4242665.50 | ||
VALINE (CAS# 72-18-4); (M+NA)+ | 46454.33 | 125170.25 | 117832.50 | 26851.60 | 65792.75 | 33471.20 | 26238.50 | 29614.67 | ||
XANTHINE (CAS# 69-89-6); (M+H)+ | - | - | - | - | 9409.00 | 11413.33 | 4896.00 | 10078.00 | ||
XANTHOSINE (CAS# 146-80-5); (M+H)+ | 25059.00 | 29192.50 | 24922.33 | 36287.80 | 18276.50 | 22305.00 | 23523.17 | 26215.00 | ||
XANTHOSINE (CAS# 146-80-5); (M+NA)+ | 15030.25 | 18085.17 | 15568.17 | 21890.20 | 10618.25 | 13870.67 | 14122.17 | 17608.40 | ||
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+ | 3487.50 | 3413.40 | 6241.75 | 6424.25 | 3136.00 | 5819.00 | 6729.67 | 7505.50 | ||
XYLOSE (CAS# 58-86-6); (2M+NA)+[-H2O] | 7597.00 | 4977.00 | 4968.00 | 6193.00 | 7697.50 | 7022.00 | - | - | ||
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ | 1190870.25 | 1156380.67 | 1186545.50 | 1216000.80 | 1129090.75 | 1144229.50 | 1155416.50 | 1133836.33 |
Factors:
F1 | Feeding:Fast | Group:HCR-AL |
F2 | Feeding:Fast | Group:HCR-CR |
F3 | Feeding:Fast | Group:LCR-AL |
F4 | Feeding:Fast | Group:LCR-CR |
F5 | Feeding:Fed | Group:HCR-AL |
F6 | Feeding:Fed | Group:HCR-CR |
F7 | Feeding:Fed | Group:LCR-AL |
F8 | Feeding:Fed | Group:LCR-CR |
F9 | Feeding:Pooled plasma | Group:Pooled plasma |