Data for ST000758   

(Analysis AN001191): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3F4F5F6F7F8F9
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)+
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L-ORNITHINE (CAS# 70-26-8); (M+H)+
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L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+
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LYSINE (CAS# 56-87-1); (M+H)+
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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)+
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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]
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13305.00 - 13931.00 - 15349.00 - 15834.00 -
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- - - 2992.00 - - - -
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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)+
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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:

F1Feeding:Fast | Group:HCR-AL
F2Feeding:Fast | Group:HCR-CR
F3Feeding:Fast | Group:LCR-AL
F4Feeding:Fast | Group:LCR-CR
F5Feeding:Fed | Group:HCR-AL
F6Feeding:Fed | Group:HCR-CR
F7Feeding:Fed | Group:LCR-AL
F8Feeding:Fed | Group:LCR-CR
F9Feeding:Pooled plasma | Group:Pooled plasma
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