Data for ST000697
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 | F9 | F10 | F11 | F12 | F13 | F14 | F15 | F16 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- | 5284.00 | - | 5446.00 | - | 2538.00 | 6390.00 | - | - | - | - | - | - | 5431.00 | - | - | ||
| 16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- | 89307.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| 16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)- | 7717.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| 16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- | 7541.00 | - | 5923.00 | 8797.00 | 3004.00 | 5014.00 | 3423.00 | - | 3201.00 | - | 2515.00 | - | - | 3043.00 | - | ||
| 16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- | 171188.00 | 32011.00 | 24110.00 | 21084.00 | 44206.00 | 25612.00 | 16751.00 | 14773.00 | 15305.00 | 16574.00 | 82599.00 | 40729.00 | 9832.00 | 72084.00 | 15641.00 | ||
| 18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- | 33283.00 | 23915.00 | 6457.00 | 10922.00 | 18150.00 | 16297.00 | 4514.00 | 6318.00 | 10017.00 | 5470.00 | 6496.00 | 3101.00 | - | - | 6555.00 | ||
| 1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M-H)- | 9981.00 | - | - | - | - | 12813.00 | 13608.00 | 12594.00 | 11673.00 | 21731.00 | 11948.00 | - | - | - | - | ||
| 24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)- | 63314.00 | 18006.00 | - | 65918.00 | 106965.00 | 14754.00 | - | - | 31360.00 | - | - | 27891.00 | 22359.00 | - | 7282.00 | ||
| 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE (CAS# 4229-38-3); (... | - | - | 190119.00 | - | - | - | 621840.00 | - | - | - | - | 8358.00 | - | - | - | ||
| 2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ); (M-H)- | 45323.00 | 49839.00 | 42179.00 | 187016.00 | 41781.00 | 245708.00 | 215145.00 | 362616.00 | 27947.00 | 208981.00 | 279156.00 | 55852.00 | 46857.00 | - | 66825.00 | ||
| 2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)- | - | - | - | - | - | - | - | 2841.00 | - | 4459.00 | - | - | - | - | - | ||
| 2^-DEOXYGUANOSINE (CAS# 961-07-9); (2M-H)+ | - | - | - | - | 2363.00 | - | - | - | - | - | - | - | - | - | - | ||
| 2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)- | - | 108549.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| 2^-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)- | - | - | - | - | - | 10838.00 | - | - | - | - | - | - | - | - | 3405.00 | ||
| 2^-DEOXYINOSINE (CAS# 890-38-0); (M+CL)- | - | - | - | - | - | - | - | - | - | - | - | - | - | 1658.00 | - | ||
| 2^-DEOXYINOSINE (CAS# 890-38-0); (M-H)- | 11217.00 | - | - | - | - | 27005.00 | - | - | - | - | - | 2058.00 | - | - | - | ||
| 2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- | 103364.00 | 41341.00 | 50308.00 | 48759.00 | 47651.00 | - | 92317.00 | 91764.00 | 84344.00 | 131705.00 | 91660.00 | 43131.00 | 52468.00 | 54341.00 | 32181.00 | ||
| 2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- | 26105.00 | 14002.00 | 23502.00 | 11783.00 | 15900.00 | 6808.00 | 14880.00 | 82155.00 | 10701.00 | 43574.00 | 36424.00 | 21481.00 | 22692.00 | 40035.00 | - | ||
| 2-METHYLMALEATE (CAS# 498-23-7); (M-H)- | 117662.00 | 21663.00 | - | 2968.00 | 7141.00 | 17213.00 | 1677.00 | 9266.00 | - | 2964.00 | 12063.00 | 5331.00 | 6637.00 | 9348.00 | 1463.00 | ||
| 2-OXOADIPATE (CAS# 3184-35-8); (M-H)- | - | - | - | - | - | - | - | 6424.00 | - | - | - | - | - | - | - | ||
| 3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- | 68305.00 | 34090.00 | 36726.00 | 35549.00 | 34380.00 | 43356.00 | 38045.00 | 33439.00 | 33838.00 | 54560.00 | 54589.00 | 39169.00 | 36913.00 | 36328.00 | 35925.00 | ||
| 3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)- | - | - | - | - | - | - | - | 1682.00 | - | - | - | - | - | - | - | ||
| 3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | 1381.00 | - | - | - | ||
| 3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- | 2156351.00 | 1004825.00 | 1047931.00 | 1133205.00 | 723567.00 | 2135456.00 | 1177243.00 | 1279230.00 | 1608718.00 | 1254908.00 | 1824660.00 | 1244799.00 | 1221373.00 | 1274214.00 | 446695.00 | ||
| 3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)- | - | - | 8739.00 | - | 9947.00 | 4321.00 | 8039.00 | 18535.00 | - | - | 14786.00 | - | 10106.00 | - | - | ||
| 3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | 3020.00 | - | ||
| 3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M+HCOO)- | - | 4578.00 | 4454.00 | 3731.00 | 4505.00 | - | - | - | 5344.00 | - | 2677.00 | 2721.00 | 5825.00 | 5785.00 | - | ||
| 3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- | 26105.00 | 14002.00 | 23502.00 | 11752.00 | 15900.00 | 73071.00 | 14681.00 | 82155.00 | 10718.00 | 43967.00 | 36424.00 | 19447.00 | 22305.00 | 42374.00 | - | ||
| 3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- | 7376.00 | 4213.00 | 10658.00 | 4796.00 | - | 28210.00 | 8143.00 | 30942.00 | 4719.00 | 15015.00 | 6966.00 | 5754.00 | 12021.00 | 15625.00 | 10161.00 | ||
| 3-PHOSPHOGLYCERATE (CAS# ); (M-H)- | - | 75456.00 | 49333.00 | - | - | - | 4107.00 | - | 2227.00 | - | - | - | - | - | 2641.00 | ||
| 3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | 1664.00 | - | - | ||
| 4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)- | - | - | - | - | - | - | - | - | - | 4358.00 | - | - | - | - | - | ||
| 4-COUMARATE (CAS# 501-98-4); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | 1080.00 | - | ||
| 4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)- | - | - | 8739.00 | - | 9947.00 | 23917.00 | 6974.00 | 18535.00 | - | - | 14786.00 | - | 10106.00 | - | - | ||
| 4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- | - | - | 1465.00 | - | - | 5790.00 | - | 10291.00 | - | 2403.00 | 5205.00 | 1387.00 | - | 4488.00 | - | ||
| 4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)- | - | - | - | - | - | 4332.00 | - | - | - | - | - | - | - | - | - | ||
| 4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- | 1292722.00 | 1156727.00 | 896295.00 | 1094092.00 | 1320734.00 | 1623077.00 | 2310292.00 | 1970297.00 | 1621258.00 | 3844343.00 | 1418298.00 | 1030270.00 | 970733.00 | 498397.00 | 1033658.00 | ||
| 4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- | 1292573.00 | 1156636.00 | 896085.00 | 1093787.00 | 1320602.00 | 1622391.00 | 2310140.00 | 1969716.00 | 1620828.00 | 3843770.00 | 1418055.00 | 1030011.00 | 970559.00 | 498218.00 | 1033340.00 | ||
| 4-NITROCATECHOL (CAS# 3316-09-4); (M-H)- | 14392.00 | 26450.00 | 55975.00 | 10114.00 | 72657.00 | 184462.00 | 25703.00 | 64982.00 | - | 14847.00 | 10655.00 | - | 19525.00 | 179172.00 | 29957.00 | ||
| 4-NITROPHENOL (CAS# 100-02-7); (M-H)- | 107959.00 | 41325.00 | 56695.00 | 89606.00 | 59030.00 | 413173.00 | 32932.00 | 129778.00 | 26693.00 | 57853.00 | 52166.00 | 57920.00 | 32857.00 | 124850.00 | 23808.00 | ||
| 5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- | - | 40829.00 | 21017.00 | 13207.00 | - | - | - | - | - | - | - | - | 8653.00 | - | - | ||
| 5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+CL)- | 8852.00 | - | - | - | - | 5976.00 | - | - | - | - | 8306.00 | - | - | - | - | ||
| 5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- | 18887.00 | 5391.00 | - | 10384.00 | 6017.00 | 10461.00 | - | - | 8713.00 | - | 12487.00 | 4168.00 | 10916.00 | 10907.00 | 3619.00 | ||
| 5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- | - | - | - | - | 50629.00 | 90848.00 | 43074.00 | 37723.00 | 34014.00 | - | 66107.00 | - | 28904.00 | - | 27218.00 | ||
| 5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)- | - | - | - | - | - | - | - | - | - | - | 1105.00 | - | - | - | - | ||
| 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- | 189929.00 | 128542.00 | 152932.00 | 129556.00 | 103186.00 | 137046.00 | 137942.00 | 110902.00 | 139744.00 | 146427.00 | 137831.00 | 123912.00 | 114094.00 | 136377.00 | 91911.00 | ||
| 5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- | 95668.00 | 72086.00 | 84243.00 | 67405.00 | 61054.00 | 83419.00 | 84193.00 | 66051.00 | 82762.00 | 88296.00 | 82593.00 | 75786.00 | 67302.00 | 80606.00 | 59273.00 | ||
| 5-OXOPROLINE (CAS# 4042-36-8); (M-H)- | 17500000.00 | 17200000.00 | 14100000.00 | 19300000.00 | 18200000.00 | 21800000.00 | 23100000.00 | 23300000.00 | 21600000.00 | 28600000.00 | 20100000.00 | 15900000.00 | 17400000.00 | 16400000.00 | 13400000.00 | ||
| 6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- | 7376.00 | 4213.00 | 10658.00 | 4796.00 | - | 28210.00 | 8143.00 | 30986.00 | 4719.00 | 15015.00 | 6966.00 | 5754.00 | 12021.00 | 15625.00 | 10161.00 | ||
| 6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)- | - | - | - | - | - | 1718.00 | - | 5187.00 | - | - | - | - | - | - | - | ||
| 7-AMINOCEPHALOSPORANIC ACID (CAS# 957-68-6); (M-H)- | - | 1406.00 | - | - | - | - | - | - | - | - | - | - | - | - | 1119.00 | ||
| ADENINE (CAS# 73-24-5); (M-H)- | - | - | - | - | 100391.00 | - | - | - | 118296.00 | 842047.00 | - | - | - | - | - | ||
| ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+ | 153943.00 | 117493.00 | 106327.00 | 146351.00 | 229194.00 | - | 2227.00 | - | - | - | 42547.00 | 202317.00 | 46775.00 | 67428.00 | 33117.00 | ||
| ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- | 2031491.00 | 2753523.00 | 1578904.00 | 2037402.00 | 2327554.00 | 385917.00 | 350117.00 | 345779.00 | 464323.00 | 421057.00 | 904024.00 | 2454846.00 | 830514.00 | 1237800.00 | 769650.00 | ||
| ADENOSINE (CAS# 58-61-7); (M+CL)- | - | 108549.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| ADENOSINE (CAS# 58-61-7); (M+HCOO)- | 54629.00 | 34227.00 | 80236.00 | 42100.00 | 54757.00 | - | 11259.00 | - | 3387.00 | - | 38838.00 | 49768.00 | 8687.00 | 1989.00 | - | ||
| ADIPIC ACID (CAS# 124-04-9 ); (M-H)- | 26105.00 | 14002.00 | 23502.00 | 11752.00 | 15900.00 | 73071.00 | 14681.00 | 82155.00 | 10718.00 | 43967.00 | 36424.00 | 19447.00 | 22305.00 | 42374.00 | - | ||
| ADPGLUCOSE (CAS# ); (M-H)- | 234218.00 | 327836.00 | 307091.00 | 230768.00 | 263220.00 | 215967.00 | 232881.00 | 174438.00 | 284493.00 | 225281.00 | 196448.00 | 260281.00 | 254759.00 | 163792.00 | 268157.00 | ||
| ADP-RIBOSE (CAS# ); (M-H)- | 92679.00 | 21494.00 | 24836.00 | 4331.00 | 2730.00 | 35008.00 | 2330.00 | 1619.00 | 4965.00 | - | 49606.00 | 4355.00 | - | 15971.00 | 17218.00 | ||
| ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] | 2156351.00 | 1005521.00 | 1047931.00 | 1133205.00 | 723165.00 | 2136843.00 | 1181320.00 | 1279230.00 | 1604076.00 | 1255242.00 | 1824660.00 | 1245079.00 | 1218494.00 | 1274214.00 | 446841.00 | ||
| ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)- | 14721.00 | 29471.00 | 29769.00 | 27619.00 | 63924.00 | 7042.00 | 4684.00 | 44904.00 | 4613.00 | 4870.00 | - | 34952.00 | 25911.00 | 16956.00 | 45617.00 | ||
| ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- | 274589.00 | 291262.00 | 292762.00 | 251303.00 | 216020.00 | 291537.00 | 231484.00 | 230306.00 | 211678.00 | 224970.00 | 530288.00 | 225677.00 | 203628.00 | 232360.00 | 193561.00 | ||
| ARABITOL (CAS# 7643-75-6); (M+CL)- | - | 14486.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| ARACHIDIC ACID (CAS# 506-30-9); (M-H)- | 5380.00 | 8618.00 | 4146.00 | 4359.00 | 4457.00 | 4361.00 | 3347.00 | 2616.00 | 2833.00 | 3442.00 | 9959.00 | 3009.00 | 3178.00 | 2604.00 | 2856.00 | ||
| ARACHIDONATE (CAS# 506-32-1); (M-H)- | 19530.00 | 12171.00 | 15182.00 | 14072.00 | 13413.00 | 12357.00 | 8516.00 | 8296.00 | 10004.00 | 7613.00 | 20284.00 | 17659.00 | 10212.00 | 12727.00 | 11150.00 | ||
| ASPARTATE (CAS# 56-84-8); (M-H)- | 112046.00 | 203857.00 | 199873.00 | - | 183334.00 | 54880.00 | 75486.00 | - | 75910.00 | 61064.00 | 60223.00 | 137186.00 | 132010.00 | 113729.00 | 188242.00 | ||
| ASPARTATE (CAS# 56-84-8); (M+HCOO)- | - | - | - | 6618.00 | - | - | - | - | - | - | - | - | - | - | - | ||
| AZELAIC ACID (CAS# 123-99-9); (M-H)- | 75596.00 | 53050.00 | 92581.00 | 55526.00 | 51464.00 | 198924.00 | 92498.00 | 198877.00 | 58996.00 | 131015.00 | 74382.00 | 67047.00 | 69859.00 | 114598.00 | 95260.00 | ||
| BEHENIC ACID (CAS# 112-85-6); (M-H)- | 4858.00 | 17167.00 | 2243.00 | 4208.00 | 6626.00 | - | 1243.00 | - | 4516.00 | - | 6934.00 | 2777.00 | - | 1654.00 | 2802.00 | ||
| BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)- | - | - | - | - | - | 4332.00 | - | - | - | - | - | - | - | - | - | ||
| BENZOATE (CAS# 65-85-0); (M-H)- | - | 1444.00 | 8739.00 | - | 9171.00 | 22511.00 | 8039.00 | 17379.00 | - | - | 14786.00 | - | 10106.00 | 34055.00 | - | ||
| BETA-ALANINE (CAS# 107-95-9); (M-H)- | - | 9239.00 | - | 11443.00 | 9766.00 | - | - | - | - | - | - | - | - | 10191.00 | - | ||
| BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O] | 14407.00 | 9211.00 | 11109.00 | - | - | - | 12541.00 | - | - | 22238.00 | 16273.00 | 11910.00 | - | - | 10063.00 | ||
| BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)- | - | 1771.00 | - | 1455.00 | - | 1095.00 | - | 2521.00 | - | - | - | - | 1103.00 | - | - | ||
| BILIVERDIN (CAS# 114-25-0); (M-H)- | - | - | - | - | - | 1431.00 | - | - | - | - | 1093.00 | - | - | - | - | ||
| BIOTIN (CAS# 58-85-5); (M-H)- | 2665.00 | - | - | - | 2634.00 | 6100.00 | 2557.00 | 3629.00 | 2864.00 | 4297.00 | 2049.00 | 1630.00 | 3263.00 | 1888.00 | 1441.00 | ||
| BOC-ALA-OH (CAS# 15761-38-3); (M-H)- | 5016.00 | 1719.00 | 2547.00 | 1151.00 | 2099.00 | 3317.00 | 2661.00 | 1884.00 | 2144.00 | 2015.00 | 4010.00 | 3570.00 | 2765.00 | 1957.00 | 3471.00 | ||
| C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)... | - | 2019.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)... | - | 9483.00 | - | - | - | - | - | - | - | - | 1632.00 | - | - | - | - | ||
| CAPRYLIC ACID (CAS# 124-07-2); (M-H)- | - | - | - | - | - | 1639.00 | - | - | - | - | - | - | - | - | - | ||
| CHOLATE (CAS# 81-25-4); (M+CL)- | - | - | - | - | - | 8347.00 | - | - | - | - | - | - | - | - | - | ||
| CHOLATE (CAS# 81-25-4); (M-H)- | - | - | - | - | - | 111692.00 | - | - | - | - | - | - | - | - | - | ||
| CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)- | - | - | - | - | - | 6671.00 | - | - | - | - | 1264.00 | - | - | - | - | ||
| CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- | 18442.00 | 19540.00 | 20230.00 | 12471.00 | 12368.00 | 7944.00 | 6226.00 | 3263.00 | 6130.00 | 4015.00 | 40193.00 | 11048.00 | 5387.00 | 8240.00 | 7063.00 | ||
| CIS-ACONITATE (CAS# 585-84-2); (M-H)- | 1098959.00 | 820437.00 | 859349.00 | 856069.00 | 744562.00 | 1152353.00 | 808442.00 | 799426.00 | 777549.00 | 701363.00 | 888510.00 | 869550.00 | 583226.00 | 649239.00 | 973145.00 | ||
| CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- | 853124.00 | 729733.00 | 980209.00 | 711344.00 | 699756.00 | 248444.00 | 243494.00 | 191457.00 | 258606.00 | 186970.00 | 1690876.00 | 727146.00 | 359938.00 | 519718.00 | 362939.00 | ||
| CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- | 1949997.00 | 1457160.00 | 1526741.00 | 1468281.00 | 1318420.00 | 1711727.00 | 1503682.00 | 1489197.00 | 1419414.00 | 1966261.00 | 1714441.00 | 1478275.00 | 1571950.00 | 1443240.00 | 1579577.00 | ||
| CIS-ZEATIN (CAS# 1637-39-4); (M-H)- | 2884312.00 | 2327450.00 | 2517214.00 | 2259069.00 | 2188415.00 | 2493975.00 | 2228585.00 | 2190551.00 | 2170280.00 | 2998979.00 | 2700951.00 | 2527644.00 | 2305388.00 | 2385789.00 | 2560915.00 | ||
| CITRAMALATE (CAS# 2306-22-1); (M-H)- | 67419.00 | 49389.00 | 56255.00 | 44757.00 | 53225.00 | 95904.00 | 76652.00 | 94143.00 | 58720.00 | 81198.00 | 52027.00 | 52809.00 | 36601.00 | 63407.00 | 46238.00 | ||
| CITRATE (CAS# 77-92-9); (M-H)- | 13900000.00 | 15200000.00 | 11600000.00 | 10900000.00 | 9451944.00 | 13300000.00 | 11600000.00 | 10900000.00 | 12200000.00 | 14800000.00 | 11600000.00 | 12100000.00 | 12000000.00 | 8475834.00 | 12500000.00 | ||
| CORTISOL (CAS# 50-23-7); (M+CL)- | - | - | 7670.00 | - | - | - | - | 26742.00 | - | - | - | 2220.00 | - | - | - | ||
| CORTISOL (CAS# 50-23-7); (M+HCOO)- | 2500.00 | 2420.00 | 35327.00 | 1734.00 | 4135.00 | 3094.00 | 6965.00 | 130491.00 | 6201.00 | 4981.00 | 3509.00 | 8194.00 | 9998.00 | 4691.00 | 2587.00 | ||
| CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- | 75596.00 | 53050.00 | 92581.00 | 55617.00 | 51464.00 | 198924.00 | 92498.00 | 198877.00 | 58996.00 | 131015.00 | 70907.00 | 67047.00 | 69859.00 | 114577.00 | 95260.00 | ||
| CYSTATHIONINE (CAS# 56-88-2); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | 3102.00 | - | - | - | ||
| CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+CL)- | 19815.00 | 9180.00 | - | 13197.00 | 14930.00 | - | - | - | 13947.00 | - | - | - | - | - | - | ||
| CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+HCOO)- | - | - | - | - | - | 1509.00 | 1955.00 | 1827.00 | - | - | - | - | - | - | 1741.00 | ||
| CYTIDINE (CAS# 65-46-3); (M+CL)- | - | - | - | - | - | - | - | - | - | 1536.00 | - | - | 1268.00 | - | 8311.00 | ||
| CYTIDINE (CAS# 65-46-3); (M-H)- | - | 171516.00 | 152925.00 | 211371.00 | 204220.00 | - | 141517.00 | - | 148297.00 | - | 153966.00 | 142920.00 | 184807.00 | 175438.00 | 199908.00 | ||
| DAMP (CAS# 653-63-4); (M-H)- | 9793.00 | - | - | - | 17191.00 | - | - | - | 1841.00 | - | - | - | - | - | - | ||
| D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- | 256499.00 | 235546.00 | 259371.00 | 227670.00 | 250756.00 | 293846.00 | 237353.00 | 200839.00 | 312865.00 | 137330.00 | 374812.00 | 326107.00 | 359090.00 | 315999.00 | 348477.00 | ||
| DECANOATE (CAS# 334-48-5); (M-H)- | 6457.00 | 6852.00 | 6521.00 | 6339.00 | 5602.00 | 7455.00 | 5689.00 | 6049.00 | 5822.00 | 6425.00 | 8539.00 | 6810.00 | 5214.00 | 7333.00 | 6999.00 | ||
| DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- | 877855.00 | 573927.00 | 627663.00 | 98113.00 | 369028.00 | 982063.00 | 706566.00 | - | 628137.00 | 627795.00 | 781453.00 | - | 444005.00 | 490834.00 | 572793.00 | ||
| DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)- | 7662.00 | - | 1014.00 | - | - | - | - | - | 1684.00 | - | - | - | 2125.00 | - | 5066.00 | ||
| DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)- | - | - | - | - | - | 350575.00 | - | - | - | - | - | - | - | - | - | ||
| DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- | - | - | - | - | - | 94365.00 | - | - | - | - | - | - | - | - | - | ||
| DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- | - | - | - | - | - | 2674209.00 | - | - | - | - | - | - | - | - | - | ||
| DEOXYCYTIDINE (CAS# 951-77-9); (M-H)- | 9550.00 | 8014.00 | 8200.00 | 11514.00 | 10827.00 | 10341.00 | 11083.00 | 13972.00 | 13811.00 | 13568.00 | 11609.00 | - | 8666.00 | 7395.00 | 5659.00 | ||
| DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- | 155230.00 | 230977.00 | 173718.00 | 90423.00 | 121589.00 | 194469.00 | 174349.00 | 145122.00 | 160512.00 | 186023.00 | 198758.00 | 213175.00 | 218591.00 | 169113.00 | 200396.00 | ||
| DEOXYGUANOSINE 5^-TRIPHOSPHATE (CAS# 2564-35-4); (M-H)- | - | 5782.00 | - | - | - | 110384.00 | 90283.00 | - | 129117.00 | 29523.00 | - | - | 328515.00 | - | 3751.00 | ||
| DEOXYURIDINE (CAS# 951-78-0); (M+CL)- | - | - | - | - | - | 4705.00 | - | - | - | - | - | - | - | - | 1639.00 | ||
| DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)- | 9437.00 | 3476.00 | 4600.00 | 7525.00 | 9436.00 | 3534.00 | - | - | 3939.00 | 4465.00 | 4222.00 | 7508.00 | 4625.00 | - | - | ||
| D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)- | 163329.00 | 131646.00 | - | - | - | 95817.00 | - | - | - | - | - | 114359.00 | - | - | - | ||
| D-GALACTOSAMINE (CAS# 7535-00-4); (M+HCOO)- | 2645.00 | 1898.00 | 1581.00 | - | - | - | - | - | 3010.00 | 2448.00 | - | - | 3473.00 | - | - | ||
| DGDP (CAS# 653-63-4); (M-H)- | - | - | - | - | 17191.00 | 7149.00 | - | - | 1841.00 | - | - | - | - | - | 3213.00 | ||
| D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)- | 163329.00 | 131318.00 | - | - | - | 96321.00 | - | - | - | - | - | - | - | - | - | ||
| D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)- | 14721.00 | 45237.00 | 77023.00 | 27619.00 | 63924.00 | 7042.00 | 48074.00 | 44904.00 | 21181.00 | 44986.00 | 11683.00 | 34952.00 | 20453.00 | 16956.00 | 75741.00 | ||
| DGMP (CAS# 902-04-5); (M-H)- | 285008.00 | - | - | 261217.00 | 301917.00 | - | 140808.00 | 161597.00 | 95611.00 | 172321.00 | 195573.00 | 342979.00 | 194799.00 | 232000.00 | - | ||
| DIACETYL (CAS# 431-03-8); (M+HCOO)- | - | - | 10978.00 | - | - | 31480.00 | - | 29479.00 | - | - | - | - | - | 16159.00 | 8963.00 | ||
| DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | - | 4770.00 | ||
| D-LYXOSE (CAS# 1114-34-7); (M-H)- | 3198.00 | - | 6692.00 | 4784.00 | 6118.00 | 3204.00 | 5969.00 | - | 5325.00 | 4642.00 | 5899.00 | 4549.00 | 3617.00 | 2628.00 | 10517.00 | ||
| D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- | 256499.00 | 235546.00 | 259371.00 | 227670.00 | 250756.00 | 279228.00 | 237353.00 | 198885.00 | 312865.00 | 137330.00 | 374812.00 | 324096.00 | 357980.00 | 315999.00 | 348477.00 | ||
| D-MANNOSAMINE (CAS# 14307-02-9); (M+HCOO)- | 2645.00 | 1152.00 | - | - | - | - | - | - | 3010.00 | - | - | - | - | - | - | ||
| D-ORNITHINE (CAS# 348-66-3); (M-H)- | - | 13529.00 | 16089.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
| D-PSICOSE (CAS# 551-68-8); (M+CL)- | - | 561128.00 | 580124.00 | 452247.00 | 650952.00 | 405012.00 | 534945.00 | 579118.00 | 524088.00 | 583882.00 | - | 636638.00 | 581600.00 | 515699.00 | 976526.00 | ||
| D-TAGATOSE (CAS# 87-81-0); (M+CL)- | - | 561128.00 | 580124.00 | 452247.00 | 650952.00 | 405012.00 | 534945.00 | 579118.00 | 524088.00 | 583882.00 | - | 636638.00 | 581600.00 | 515699.00 | 976526.00 | ||
| EDTA (CAS# 60-00-4); (M-H)- | - | - | 1341.00 | 2745.00 | - | - | 1266.00 | - | - | - | - | - | 1007.00 | 1777.00 | - | ||
| ELAIDIC ACID (CAS# 112-79-8); (M-H)- | 853124.00 | 729733.00 | 980209.00 | 712945.00 | 699756.00 | 248444.00 | 243494.00 | 191457.00 | 258606.00 | 186970.00 | 1690876.00 | 727146.00 | 359938.00 | 519718.00 | 362939.00 | ||
| EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- | 1436542.00 | 1085729.00 | 1155445.00 | 1031373.00 | 962312.00 | 1159228.00 | 1021986.00 | 835946.00 | 1087335.00 | 1447806.00 | 1240531.00 | 1081826.00 | 1149158.00 | 999002.00 | 1127999.00 | ||
| EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- | 8870608.00 | 7060250.00 | 7409417.00 | 6536506.00 | 6316625.00 | 7823460.00 | 6959291.00 | 6016759.00 | 7216879.00 | 9501217.00 | 8164038.00 | 7164779.00 | 7616281.00 | 6761079.00 | 7653539.00 | ||
| ERUCIC ACID (CAS# 112-86-7); (M-H)- | 3828.00 | 5521.00 | 1973.00 | 2454.00 | 3187.00 | 1769.00 | 2053.00 | - | 2178.00 | 2489.00 | 4833.00 | - | 2430.00 | - | - | ||
| ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)- | 197691.00 | 49839.00 | 42179.00 | 187016.00 | 41781.00 | 245708.00 | 215145.00 | 376344.00 | 175657.00 | 208981.00 | 279156.00 | 55852.00 | 46857.00 | - | 66825.00 | ||
| ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- | 30980.00 | 15777.00 | 23430.00 | 17561.00 | 15576.00 | 59066.00 | 17293.00 | 39258.00 | 14739.00 | 27800.00 | 21804.00 | 21301.00 | 15311.00 | 29641.00 | 17190.00 | ||
| FERULATE (CAS# 1135-24-6); (M-H)- | - | - | - | - | - | 5490.00 | - | - | - | - | - | - | - | - | - | ||
| FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)- | 173577.00 | 108140.00 | 134699.00 | 114019.00 | 94511.00 | 197613.00 | 147252.00 | 120902.00 | 132838.00 | 158574.00 | 163654.00 | 121927.00 | 165901.00 | 130169.00 | 127871.00 | ||
| FOLIC ACID (CAS# 59-30-3); (M-H)- | 31028.00 | 18612.00 | 19554.00 | 33671.00 | - | 52338.00 | 49806.00 | 54045.00 | 42794.00 | 82846.00 | 42068.00 | 29102.00 | 36970.00 | 31488.00 | 16403.00 | ||
| FRUCTOSE (CAS# 57-48-7); (M+CL)- | - | 561128.00 | 580124.00 | 452247.00 | 650952.00 | 405012.00 | 534945.00 | 579118.00 | 524088.00 | 583882.00 | - | 636638.00 | 581600.00 | 515699.00 | 976526.00 | ||
| FRUCTOSE (CAS# 57-48-7); (M+HCOO)- | 39505.00 | 38642.00 | 32632.00 | 23373.00 | 27016.00 | 55096.00 | 52270.00 | 46452.00 | 42152.00 | 73136.00 | 48257.00 | 42406.00 | 43214.00 | 31230.00 | 53589.00 | ||
| FUMARATE (CAS# 110-17-8); (M-H)- | 70327.00 | 67269.00 | 58542.00 | 53724.00 | 88496.00 | 72545.00 | 52845.00 | 53290.00 | 51445.00 | 45742.00 | 51755.00 | 52338.00 | 63317.00 | 42862.00 | 65067.00 | ||
| GALACTARATE (CAS# 526-99-8); (M-H)- | 7632.00 | - | - | - | 17260.00 | 4024.00 | - | 3357.00 | 10555.00 | 2459.00 | - | 19878.00 | 21942.00 | - | 33929.00 | ||
| GALACTURONIC ACID (CAS# 91510-62-2); (M-H)- | 29839.00 | 38423.00 | - | 40638.00 | 40752.00 | 17103.00 | 21451.00 | 24431.00 | 27750.00 | 17471.00 | 24072.00 | 35538.00 | 40802.00 | 28326.00 | 46601.00 | ||
| GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- | - | - | 10978.00 | - | - | 31480.00 | - | 29479.00 | - | - | - | - | - | 16159.00 | 8963.00 | ||
| GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)- | 11083.00 | 37665.00 | 14293.00 | 21704.00 | 21179.00 | 40145.00 | 5067.00 | 29418.00 | 7255.00 | 9059.00 | 23269.00 | 14926.00 | 19529.00 | 18942.00 | 19138.00 | ||
| GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- | 274589.00 | 291262.00 | 292761.00 | 251303.00 | 216020.00 | 291537.00 | 231484.00 | 230306.00 | 211678.00 | 224970.00 | 530288.00 | 225677.00 | 205444.00 | 232360.00 | 193561.00 | ||
| GDPGLUCOSE (CAS# ); (M-H)- | - | - | - | - | - | - | - | - | 6687.00 | 1935.00 | - | - | - | - | - | ||
| GDPMANNOSE (CAS# ); (M-H)- | 258914.00 | 560184.00 | 405412.00 | 169857.00 | 149945.00 | 138651.00 | 221017.00 | 195375.00 | 111999.00 | 80878.00 | 185934.00 | 198157.00 | 285364.00 | 219937.00 | 324964.00 | ||
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- | 23293.00 | 15630.00 | 17265.00 | 11460.00 | 10644.00 | 22643.00 | 14250.00 | 12424.00 | 15173.00 | 27725.00 | 18573.00 | 16140.00 | 16418.00 | 13181.00 | 18816.00 | ||
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- | 64074.00 | 50414.00 | 50697.00 | 45632.00 | 41232.00 | 57952.00 | 50745.00 | 45612.00 | 50978.00 | 65608.00 | 54886.00 | 50337.00 | 53416.00 | 44812.00 | 53425.00 | ||
| GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- | 821416.00 | 662501.00 | 681184.00 | 567808.00 | 538183.00 | 770385.00 | 636427.00 | 573147.00 | 644594.00 | 872981.00 | 713595.00 | 652675.00 | 665955.00 | 605627.00 | 713782.00 | ||
| GLUCARIC ACID (CAS# 87-73-0); (M-H)- | 9570.00 | - | - | - | 17260.00 | 4024.00 | - | 3357.00 | 10555.00 | 2459.00 | - | 19878.00 | 21942.00 | - | 33929.00 | ||
| GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] | 8764460.00 | 7493653.00 | 7821518.00 | 7014111.00 | 6996233.00 | 8556107.00 | 9494152.00 | 8300073.00 | 8584210.00 | 10700000.00 | 8519463.00 | 7324315.00 | 8507073.00 | 6287626.00 | 8665066.00 | ||
| GLUCONIC ACID (CAS# 526-95-4); (M-H)- | 256499.00 | 235546.00 | 259371.00 | 227670.00 | 250756.00 | 293846.00 | 237353.00 | 200839.00 | 312865.00 | 137330.00 | 373478.00 | 326020.00 | 359090.00 | 315999.00 | 348477.00 | ||
| GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)- | 14721.00 | 29471.00 | 29769.00 | 27619.00 | 63924.00 | 7042.00 | 4684.00 | 44904.00 | 4613.00 | 4870.00 | 11683.00 | 34952.00 | 20453.00 | 16956.00 | 45617.00 | ||
| GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O] | - | 1771.00 | - | - | - | 1095.00 | - | 2521.00 | - | - | - | - | - | - | - | ||
| GLUCOSE (CAS# 50-99-7); (M+CL)- | - | 561128.00 | 580124.00 | 452247.00 | 650952.00 | 405012.00 | 534945.00 | 579118.00 | 524088.00 | 583882.00 | - | 636638.00 | 581600.00 | 515699.00 | 976526.00 | ||
| GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- | 29839.00 | 38423.00 | - | 40638.00 | 40752.00 | 17103.00 | 24453.00 | 24431.00 | 30113.00 | 17471.00 | 26750.00 | 35538.00 | 40802.00 | 31535.00 | 46601.00 | ||
| GLUTAMATE (CAS# 56-86-0); (M-H)- | 3431997.00 | 2872748.00 | 3057400.00 | 2734032.00 | 2817842.00 | 2135973.00 | 2081061.00 | 1801234.00 | 2274170.00 | - | 2055456.00 | 2338984.00 | 2535703.00 | 2217221.00 | 2879624.00 | ||
| GLUTAMINE (CAS# 56-85-9); (M-H)- | - | - | - | - | - | - | - | - | - | - | 1415178.00 | 1476367.00 | - | - | - | ||
| GLUTARATE (CAS# 110-94-1); (M-H)- | 11091.00 | - | 10978.00 | - | - | 31480.00 | - | 29479.00 | - | 12840.00 | - | - | 6153.00 | 16159.00 | 8963.00 | ||
| GLUTATHIONE (CAS# 27025-41-8); (M-H)- | 1409775.00 | 1354521.00 | 1131811.00 | 805148.00 | 1122283.00 | 2054039.00 | 1456634.00 | 2176220.00 | 1397016.00 | 2246724.00 | 1245038.00 | 1391315.00 | 1326581.00 | 1290647.00 | 1161735.00 | ||
| GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] | 2156351.00 | 1004825.00 | 1047931.00 | 1133205.00 | 723567.00 | 2135456.00 | 1177243.00 | 1279230.00 | 1608718.00 | 1254908.00 | 1824660.00 | 1244799.00 | 1221373.00 | 1274214.00 | 446695.00 | ||
| GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- | - | 11375.00 | - | 4861.00 | - | - | - | - | - | - | - | - | - | - | - | ||
| GLYCINE (CAS# 56-40-6); (M-H)- | - | - | - | - | - | - | - | 10229.00 | - | - | - | - | - | - | - | ||
| GUANINE (CAS# 73-40-5); (M-H)- | - | - | - | - | 7087.00 | - | - | - | 5156.00 | 3847.00 | - | - | - | - | - | ||
| GUANOSINE 5^-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-H)- | 234218.00 | 327836.00 | 307091.00 | 232143.00 | 263220.00 | 216509.00 | 235205.00 | 174371.00 | 284493.00 | 225281.00 | 196448.00 | 262045.00 | 257725.00 | 164359.00 | 195626.00 | ||
| GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (2M-H)+ | 11164.00 | - | 3251.00 | 10130.00 | 8093.00 | - | - | - | - | 1698.00 | - | - | 6204.00 | - | - | ||
| GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)- | 449647.00 | 329963.00 | 207420.00 | 427107.00 | 374714.00 | 78804.00 | 61922.00 | 112352.00 | 231842.00 | 135365.00 | 141927.00 | 461280.00 | 309927.00 | 259713.00 | 119174.00 | ||
| GUANOSINE (CAS# 118-00-3); (M+CL)- | 2969.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| GUANOSINE (CAS# 118-00-3); (M-H)- | 95262.00 | 50588.00 | 60124.00 | 90542.00 | 139142.00 | 45383.00 | 67214.00 | 39001.00 | 64858.00 | 73078.00 | 38367.00 | 96497.00 | 36711.00 | 51070.00 | 71230.00 | ||
| HEPTADECANOATE (CAS# 506-12-7); (M-H)- | 62348.00 | 33501.00 | 28003.00 | 49350.00 | 22946.00 | 25197.00 | 38699.00 | 39207.00 | 37093.00 | 41510.00 | 231870.00 | 21398.00 | 37888.00 | 24766.00 | 36042.00 | ||
| HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- | 3179.00 | 3992.00 | 1813.00 | 4545.00 | 6151.00 | 2033.00 | - | - | 2205.00 | - | 5585.00 | 2327.00 | 1331.00 | 1060.00 | 1906.00 | ||
| HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- | 2381837.00 | 1884302.00 | 1787320.00 | 1701095.00 | 1839858.00 | 2104649.00 | 1254203.00 | 1338237.00 | 1410595.00 | 1933128.00 | 1708511.00 | 990698.00 | 1655056.00 | 1936684.00 | 1758804.00 | ||
| HYPOXANTHINE (CAS# 68-94-0); (M-H)- | 12581.00 | 26182.00 | 18187.00 | 1746.00 | - | 4968.00 | 11002.00 | 16715.00 | - | 15623.00 | 7842.00 | 9987.00 | 9770.00 | 12740.00 | 12188.00 | ||
| IMIDAZOLE-4-ACETATE (CAS# 645-65-8); (M-H)- | - | - | - | - | 1664.00 | - | - | - | 1697.00 | - | 1753.00 | - | - | - | - | ||
| INOSINE (CAS# 58-63-9); (M+CL)- | - | - | - | - | 152075.00 | - | - | - | - | - | - | - | - | - | - | ||
| INOSINE (CAS# 58-63-9); (M-H)- | 1402195.00 | 77788.00 | 292722.00 | 399878.00 | 1018510.00 | 109315.00 | 45552.00 | 47147.00 | 61571.00 | 58106.00 | 136563.00 | 527643.00 | 120763.00 | 564608.00 | 74039.00 | ||
| ISOCITRATE (CAS# 320-77-4); (M-H)- | 8764460.00 | 7493653.00 | 7821518.00 | 7013113.00 | 6996233.00 | 8556107.00 | 9494152.00 | 8300073.00 | 8584210.00 | 10700000.00 | 8519463.00 | 7327496.00 | 8505433.00 | 6287626.00 | 8665066.00 | ||
| ISOLEUCINE (CAS# 73-32-5); (M-H)- | 2497470.00 | 1943746.00 | 2379643.00 | 2160955.00 | 2088098.00 | 2421187.00 | 2875890.00 | 2479594.00 | 2729790.00 | 3464109.00 | 2097090.00 | 2213163.00 | 2114738.00 | 1684091.00 | 1852583.00 | ||
| ITACONATE (CAS# 97-65-4); (M-H)- | 13207.00 | 21663.00 | - | 2968.00 | 7141.00 | - | 1677.00 | 9266.00 | - | - | 3553.00 | 5331.00 | 6637.00 | 9348.00 | 1463.00 | ||
| JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- | 44991.00 | 24950.00 | 29055.00 | 17489.00 | 18884.00 | 43070.00 | 27278.00 | 22895.00 | 30431.00 | 55340.00 | 35682.00 | 28493.00 | 32610.00 | 23457.00 | 32610.00 | ||
| JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- | 3402282.00 | 2660655.00 | 2798564.00 | 2333346.00 | 2231472.00 | 3162006.00 | 2663693.00 | 2385264.00 | 2734512.00 | 3583668.00 | 2960221.00 | 2714492.00 | 2815939.00 | 2411199.00 | 2956719.00 | ||
| KYNURENINE (CAS# 343-65-7); (M-H)- | 39003.00 | - | 1524.00 | 1077.00 | 2624.00 | 29274.00 | 2712.00 | - | 1070.00 | 1458.00 | 22124.00 | - | - | - | - | ||
| L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- | - | 180534.00 | 192431.00 | 158585.00 | 162287.00 | 197810.00 | 175839.00 | 156502.00 | 178198.00 | 237756.00 | 209993.00 | 193856.00 | 180650.00 | 176092.00 | - | ||
| LACTOSE (CAS# 63-42-3); (M-H)- | - | - | - | - | - | - | 1049.00 | - | - | 1211.00 | - | - | - | - | - | ||
| L-ARGININE (CAS# 74-79-3); (M-H)- | 86237.00 | 91045.00 | 93792.00 | 37866.00 | 84197.00 | 85905.00 | 87226.00 | 79440.00 | 94052.00 | - | 78240.00 | 70935.00 | 77828.00 | 79636.00 | 68370.00 | ||
| L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M-H)- | 3390.00 | 4172.00 | 3501.00 | 3382.00 | 3036.00 | 3266.00 | - | 2263.00 | 2632.00 | 2252.00 | - | - | 2608.00 | 3693.00 | 4354.00 | ||
| LAURIC ACID (CAS# 143-07-7); (M-H)- | 14848.00 | 13139.00 | 12215.00 | 12572.00 | 13447.00 | 12448.00 | 8898.00 | 7477.00 | 9449.00 | 9462.00 | 23255.00 | 9150.00 | 10168.00 | 10427.00 | 9790.00 | ||
| LEUCINE (CAS# 328-39-2); (M-H)- | 2497470.00 | 2383618.00 | 2365396.00 | 2160955.00 | 2088098.00 | 2421187.00 | 2875890.00 | 2479594.00 | 2729790.00 | 3464109.00 | 2082558.00 | 2213163.00 | 2114738.00 | 1684091.00 | 1852583.00 | ||
| L-GULONATE (CAS# 6322-07-2); (M-H)- | 256499.00 | 235546.00 | 259371.00 | 227670.00 | 250756.00 | 279228.00 | 237353.00 | 198072.00 | 312865.00 | 137330.00 | 374812.00 | 323995.00 | 357980.00 | 315999.00 | 348477.00 | ||
| L-HISTIDINE (CAS# 71-00-1); (M-H)- | 314146.00 | 359666.00 | 339984.00 | 273711.00 | 290540.00 | 245592.00 | 342886.00 | 304914.00 | 283331.00 | 370783.00 | 266596.00 | 288897.00 | 264932.00 | 231256.00 | 292048.00 | ||
| LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- | 14134.00 | 22958.00 | 3918.00 | 14205.00 | 16196.00 | 3818.00 | 2143.00 | 2131.00 | 6028.00 | 2969.00 | 13042.00 | 6069.00 | 5231.00 | 2149.00 | 5738.00 | ||
| LINOLEATE (CAS# 60-33-3); (M-H)- | 129452.00 | 102091.00 | 201220.00 | 141056.00 | 116668.00 | 50232.00 | 49997.00 | 37236.00 | 42459.00 | 59046.00 | 244379.00 | 176184.00 | 75482.00 | 126452.00 | 77714.00 | ||
| L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)- | - | 13266.00 | - | - | - | 10404.00 | - | - | - | - | - | - | - | - | 10776.00 | ||
| L-ORNITHINE (CAS# 70-26-8); (M-H)- | - | 13529.00 | 16089.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
| L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)- | - | - | - | - | - | - | - | 2841.00 | - | 4459.00 | - | - | - | - | - | ||
| L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- | 179940.00 | 148555.00 | 151558.00 | 132147.00 | 124145.00 | 159429.00 | 147453.00 | 133491.00 | 147838.00 | 208534.00 | 157681.00 | 152288.00 | 146869.00 | 130087.00 | 157436.00 | ||
| MALATE (CAS# 97-67-6); (M-H)- | 1458928.00 | 2050600.00 | 3588489.00 | 1422877.00 | 1063417.00 | 2307188.00 | - | - | 1687305.00 | - | 61422.00 | 1234503.00 | 2133117.00 | 3301480.00 | 2743666.00 | ||
| MALATE (CAS# 97-67-6); (M-H)+[-H2O] | 487967.00 | 303992.00 | - | 530930.00 | 515947.00 | - | 390727.00 | 377078.00 | 426925.00 | - | - | 473963.00 | - | 435309.00 | 382284.00 | ||
| MALEAMATE (CAS# 557-24-4); (M-H)- | - | - | - | - | - | - | 1217.00 | - | - | - | - | - | - | - | - | ||
| MALEIC ACID (CAS# 110-16-7); (M-H)- | 83845.00 | 73482.00 | 51666.00 | 44164.00 | 520072.00 | 65484.00 | 36528.00 | 41831.00 | 52170.00 | 54588.00 | 435627.00 | 50509.00 | 48080.00 | 46271.00 | 44699.00 | ||
| MALTOSE (CAS# 69-79-4); (M+HCOO)- | - | 1771.00 | - | 1455.00 | - | 1095.00 | - | 2521.00 | - | - | - | - | 1103.00 | - | - | ||
| MANDELIC ACID (CAS# 611-71-2); (M-H)- | - | - | - | - | 2865.00 | 1496.00 | - | - | - | - | - | - | - | 5609.00 | - | ||
| MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)- | 14721.00 | 29471.00 | 29769.00 | 27619.00 | 63924.00 | 7042.00 | 4684.00 | 44904.00 | 4613.00 | 4870.00 | - | 34952.00 | 25911.00 | 16956.00 | 45617.00 | ||
| MELIBIOSE (CAS# 585-99-9); (M+HCOO)- | - | 1771.00 | - | 1455.00 | - | 1095.00 | - | 2521.00 | - | - | - | - | 1103.00 | - | - | ||
| METHIONINE (CAS# 63-68-3); (M-H)- | 81725.00 | 167905.00 | 64065.00 | 93195.00 | 80943.00 | 66161.00 | 76481.00 | 44967.00 | 81295.00 | 58781.00 | 67548.00 | 79627.00 | 50371.00 | 60968.00 | 72495.00 | ||
| METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- | 9085.00 | 4181.00 | 11915.00 | 23388.00 | 9289.00 | 4387.00 | - | - | - | - | - | 19044.00 | - | - | - | ||
| METHYLMALONATE (CAS# 516-05-2); (M-H)- | 765080.00 | 591847.00 | 572895.00 | 482401.00 | 46536.00 | 490144.00 | 341932.00 | 351073.00 | 338984.00 | 397890.00 | 571717.00 | 488027.00 | 477856.00 | 481694.00 | 430371.00 | ||
| MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- | 26105.00 | 14002.00 | 23502.00 | 11752.00 | 15900.00 | 73071.00 | 14681.00 | 82155.00 | 12354.00 | 43967.00 | 36424.00 | 19447.00 | 22305.00 | 42374.00 | - | ||
| MYRISTIC ACID (CAS# 544-63-8); (M-H)- | 145077.00 | 134806.00 | 146473.00 | 139546.00 | 122463.00 | 108151.00 | 101038.00 | 97680.00 | 91826.00 | 94234.00 | 422665.00 | 119594.00 | 104871.00 | 113386.00 | 95484.00 | ||
| MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- | 5144.00 | 5335.00 | 6273.00 | 5524.00 | 7905.00 | 2557.00 | 3994.00 | 2566.00 | 2330.00 | 1873.00 | 136347.00 | 14834.00 | 5617.00 | 9614.00 | 6374.00 | ||
| N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- | - | 25901.00 | 54996.00 | 115355.00 | 148741.00 | - | 101662.00 | 59768.00 | 104771.00 | 41323.00 | - | 73345.00 | 84623.00 | 44827.00 | - | ||
| N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)- | 1865196.00 | 482329.00 | 478066.00 | 486921.00 | 492683.00 | 1478722.00 | 668157.00 | 602172.00 | 760407.00 | 580244.00 | 1639131.00 | 537500.00 | 623858.00 | 504091.00 | - | ||
| N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- | 115216.00 | 72156.00 | 74019.00 | 96818.00 | 90431.00 | 90539.00 | 73564.00 | 71725.00 | 68751.00 | 106765.00 | 83052.00 | 85139.00 | 95520.00 | 60090.00 | 62199.00 | ||
| N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- | 3437145.00 | 2872748.00 | 3062188.00 | 2738071.00 | 2826337.00 | 2135973.00 | 2081061.00 | 1801234.00 | 2274170.00 | - | 2055456.00 | 2344977.00 | 2541271.00 | 2222486.00 | 2879624.00 | ||
| N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- | - | 25901.00 | 54996.00 | 115355.00 | 148741.00 | - | 101662.00 | 59768.00 | 104771.00 | 41323.00 | - | 73345.00 | 84623.00 | 44827.00 | - | ||
| N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- | - | - | - | - | 4564.00 | - | - | - | - | - | 2665.00 | - | 2533.00 | - | - | ||
| N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- | - | 25901.00 | 54996.00 | 115355.00 | 148741.00 | - | 101662.00 | 59768.00 | 104771.00 | 41323.00 | - | 73345.00 | 84623.00 | 44827.00 | - | ||
| N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- | - | 4928.00 | - | - | - | - | - | - | - | - | - | - | - | - | 4710.00 | ||
| N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- | 214800.00 | 155053.00 | 125418.00 | 168983.00 | 193193.00 | 200246.00 | 107766.00 | 39231.00 | 152897.00 | 27463.00 | 195821.00 | 188244.00 | 217014.00 | 160750.00 | 203724.00 | ||
| N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | 45690.00 | 45959.00 | 50958.00 | - | ||
| N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)- | 13319.00 | - | - | 7969.00 | 8778.00 | 13106.00 | - | 14283.00 | 10349.00 | 16417.00 | 13644.00 | - | - | - | - | ||
| N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- | 43312.00 | 24781.00 | 28000.00 | 23472.00 | 20993.00 | 41948.00 | 31660.00 | 29084.00 | 31278.00 | 43475.00 | 23414.00 | 28086.00 | 29241.00 | 23285.00 | 26581.00 | ||
| N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- | 2582.00 | 1193.00 | - | 1360.00 | - | 2909.00 | - | - | 2006.00 | 2538.00 | 2437.00 | - | - | - | - | ||
| N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- | - | - | - | - | 149158.00 | 21624.00 | - | - | - | 79687.00 | - | - | - | - | - | ||
| NAD (CAS# 53-84-9); (M-H)- | 151573.00 | 153578.00 | 117081.00 | 123414.00 | 114196.00 | 137457.00 | 151707.00 | 138844.00 | 166789.00 | 166242.00 | 120945.00 | 138891.00 | 136411.00 | 121942.00 | 141632.00 | ||
| N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M-H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | 1064.00 | - | - | ||
| N-CYCLOHEXYLSULFAMIC ACID (CAS# 100-88-9); (2M-H)- | 2629.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| NERVONIC ACID (CAS# 506-37-6); (M-H)- | 9979.00 | 29522.00 | 2919.00 | 8862.00 | 15093.00 | 2034.00 | - | - | 4410.00 | 1069.00 | 7134.00 | 5701.00 | 3580.00 | - | 7041.00 | ||
| NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052-73-9); (M... | 17498.00 | - | - | - | - | - | 2406.00 | - | - | - | - | - | - | 10725.00 | - | ||
| NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE (CAS# 5502-96-... | - | - | - | - | - | - | - | - | 5253.00 | - | - | - | - | - | - | ||
| N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- | 3430889.00 | 2872748.00 | 3058617.00 | 2734032.00 | 2817828.00 | 2135973.00 | 2081061.00 | 1801234.00 | 2274170.00 | - | 2055456.00 | 2338979.00 | 2535703.00 | 2217068.00 | 2879624.00 | ||
| NONANOATE (CAS# 112-05-0); (M-H)- | 1226.00 | 3033.00 | 1609.00 | - | - | 1550.00 | - | - | - | - | - | - | - | - | - | ||
| NORLEUCINE (CAS# 327-57-1); (M-H)- | 2497470.00 | 2383618.00 | 2366603.00 | 2160955.00 | 2088098.00 | 2421187.00 | 2875890.00 | 2479594.00 | 2729790.00 | 3464109.00 | 2083592.00 | 2213163.00 | 2114738.00 | 1683494.00 | 1852583.00 | ||
| OLEIC ACID (CAS# 112-80-1); (M-H)- | 853124.00 | 729733.00 | 980209.00 | 712945.00 | 699756.00 | 248444.00 | 243494.00 | 191457.00 | 258606.00 | 186970.00 | 1690876.00 | 728652.00 | 359938.00 | 519718.00 | 362939.00 | ||
| OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- | 3229.00 | 6483.00 | 9876.00 | 11202.00 | 3565.00 | 4527.00 | 2807.00 | 3471.00 | - | 5156.00 | 3920.00 | 5458.00 | 2101.00 | 2839.00 | 4109.00 | ||
| O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+ | - | 3558.00 | - | - | - | - | - | - | - | - | - | - | - | 1415.00 | - | ||
| OPHTHALMIC ACID (CAS# 495-27-2); (M-H)- | 16608.00 | 24785.00 | 21620.00 | 13071.00 | 14399.00 | - | - | - | 15670.00 | 30231.00 | 17252.00 | - | - | - | 23271.00 | ||
| OROTATE (CAS# 65-86-1); (M-H)- | - | - | 21024.00 | - | 25267.00 | - | 11255.00 | 22840.00 | - | 24973.00 | - | - | - | - | 20692.00 | ||
| O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)- | 228991.00 | - | - | - | - | 10548.00 | - | - | - | 256999.00 | - | - | - | - | - | ||
| OXALATE (CAS# 144-62-7); (M-H)- | - | - | - | - | - | 38832.00 | - | 41280.00 | - | - | - | - | - | 30540.00 | - | ||
| OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O] | 11801.00 | 8470.00 | - | - | - | - | - | 11198.00 | 11315.00 | - | 11165.00 | - | 10826.00 | - | - | ||
| OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2 | - | - | - | - | - | - | - | - | - | - | - | 1123.00 | - | - | - | ||
| OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- | 1409775.00 | 1354521.00 | 1131811.00 | 805148.00 | 1122283.00 | 2054039.00 | 1456634.00 | 2176220.00 | 1397016.00 | 2246666.00 | 1245038.00 | 1391315.00 | 1326581.00 | 1290647.00 | 1161735.00 | ||
| PALATINOSE (CAS# 343336-76-5); (M+HCOO)- | - | 1771.00 | - | 1455.00 | - | 1095.00 | - | 2521.00 | - | - | - | - | 1103.00 | - | - | ||
| PALMITATE (CAS# 57-10-3); (M-H)- | 736770.00 | 768568.00 | 731509.00 | 677791.00 | 579303.00 | 750980.00 | 597935.00 | 599322.00 | 565315.00 | 574269.00 | 1641630.00 | 580649.00 | 543397.00 | 596816.00 | 503876.00 | ||
| PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- | 156950.00 | 144185.00 | 211378.00 | 161203.00 | 160139.00 | 86340.00 | 59092.00 | 47063.00 | 47768.00 | 49088.00 | 1672741.00 | 267401.00 | 113906.00 | 193731.00 | 121825.00 | ||
| PANTOTHENATE (CAS# 79-83-4); (M+CL)- | - | - | - | - | - | 9890.00 | - | - | - | - | - | - | - | - | - | ||
| PANTOTHENATE (CAS# 79-83-4); (M-H)- | 130173.00 | 70673.00 | 81096.00 | 74994.00 | 81121.00 | 139684.00 | 106185.00 | 114293.00 | 91262.00 | 172350.00 | 114336.00 | 88067.00 | 98113.00 | 77136.00 | 73040.00 | ||
| PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2] | - | - | - | - | - | - | - | - | 1767.00 | 16320.00 | - | - | - | - | - | ||
| PENTANOATE (CAS# 109-52-4); (M+HCOO)- | - | - | 1138.00 | - | - | - | - | - | - | - | - | - | - | - | - | ||
| PHENYL ACETATE (CAS# 122-79-2); (M-H)- | 6118.00 | - | - | - | - | - | - | - | - | - | - | 2675.00 | - | 1419.00 | - | ||
| PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- | 68305.00 | 34090.00 | 36726.00 | 33459.00 | 34380.00 | 43356.00 | 38045.00 | 33439.00 | 31561.00 | 54560.00 | 54589.00 | 39169.00 | 36913.00 | 36328.00 | 35925.00 | ||
| PHENYLALANINE (CAS# 63-91-2); (M-H)- | 2311399.00 | 2150031.00 | 2233180.00 | 1913180.00 | 1913934.00 | 2069744.00 | 2499079.00 | 2176384.00 | 2310525.00 | 3191119.00 | 1942031.00 | 2009860.00 | 1801024.00 | 1594898.00 | 1723884.00 | ||
| PHOSPHOCREATINE (CAS# 67-07-2); (M-H)- | - | - | - | - | - | - | - | - | - | 4013.00 | - | - | - | - | - | ||
| PHTHALATE (CAS# 88-99-3); (M-H)- | 10073.00 | 10920.00 | 26052.00 | 8477.00 | 6164.00 | 31132.00 | 7983.00 | 36750.00 | 6946.00 | 17657.00 | 6774.00 | 5231.00 | 5677.00 | 13355.00 | 18567.00 | ||
| PHYTANATE (CAS# 14721-66-5); (M-H)- | 4230.00 | 8627.00 | 3338.00 | 3038.00 | 2873.00 | 3936.00 | 3129.00 | 2416.00 | 3070.00 | 2239.00 | 4676.00 | 2103.00 | 2605.00 | 2363.00 | 3516.00 | ||
| PINITOL (CAS# 10284-63-6); (M+CL)- | 7542.00 | 4181.00 | 10301.00 | 23388.00 | 7650.00 | 4387.00 | - | - | - | - | - | 17138.00 | - | - | - | ||
| PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | 4951.00 | 3583.00 | - | - | ||
| PROPENOATE (CAS# 79-10-7); (M-H)- | 10724.00 | 15306.00 | 24072.00 | 16134.00 | - | 13672.00 | - | 11959.00 | - | - | 12156.00 | 10099.00 | - | 6977.00 | 8769.00 | ||
| PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- | - | - | - | - | - | - | - | - | - | - | - | - | - | 1142.00 | - | ||
| PTERIN (CAS# 2236-60-4); (M-H)- | - | - | - | - | - | 8998.00 | 3527.00 | - | - | - | 2302.00 | - | - | - | - | ||
| PURINE (CAS# 120-73-0); (M-H)- | 1640629.00 | 932274.00 | - | - | 1303180.00 | 1108888.00 | 1275761.00 | 1562434.00 | 1388140.00 | 1380400.00 | 2412434.00 | 1345877.00 | 889570.00 | 1176609.00 | 948168.00 | ||
| PYRUVATE (CAS# 127-17-3); (M-H)- | 51603.00 | 39019.00 | 46113.00 | 47894.00 | 52598.00 | 56743.00 | 49127.00 | 55190.00 | 50869.00 | 61508.00 | 50677.00 | 57863.00 | 49064.00 | 42805.00 | 47893.00 | ||
| RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)- | 8396.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| RAFFINOSE (CAS# 512-69-6); (M+CL)- | - | - | - | - | - | - | - | - | - | - | - | 1704.00 | - | - | - | ||
| RAFFINOSE (CAS# 512-69-6); (M+HCOO)- | - | 2546.00 | - | - | - | - | - | 1452.00 | 1867.00 | - | - | - | - | - | - | ||
| RETINOATE (CAS# 302-79-4); (M-H)- | 3078.00 | 4336.00 | - | - | - | 3795.00 | - | 1630.00 | - | - | 2113.00 | - | - | - | - | ||
| RIBITOL (CAS# 488-81-3); (M+CL)- | - | 14486.00 | - | - | - | - | - | - | - | - | - | - | - | - | - | ||
| (S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR ... | 10554.00 | 15679.00 | 9596.00 | 1969.00 | 3606.00 | 3988.00 | 8366.00 | 1918.00 | 4462.00 | - | 13535.00 | - | 13348.00 | 8965.00 | 11310.00 | ||
| (S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- | 2700547.00 | 2389964.00 | 2315605.00 | 2237588.00 | 2783094.00 | 3310111.00 | 4597300.00 | 3936603.00 | 3148546.00 | 7639393.00 | 3071071.00 | 2208736.00 | 2112778.00 | 1720549.00 | 2108247.00 | ||
| S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)- | 7492.00 | - | - | - | - | - | - | 4669.00 | - | 8590.00 | 4606.00 | - | - | - | - | ||
| S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- | 82821.00 | 43057.00 | 57898.00 | 52824.00 | 44691.00 | 70300.00 | 54578.00 | 47952.00 | 47643.00 | 80326.00 | 51763.00 | 53357.00 | 53846.00 | 41091.00 | 47064.00 | ||
| SALICYLATE (CAS# 69-72-7); (M-H)- | 19978.00 | 18313.00 | 28680.00 | 14026.00 | 44855.00 | 28198.00 | 17478.00 | 10267.00 | 7920.00 | 11212.00 | 10811.00 | 38527.00 | 16086.00 | 97033.00 | 20034.00 | ||
| (-)-SALSOLINOL (CAS# 27740-96-1); (M+CL)- | - | - | - | 4300.00 | 5434.00 | - | - | 1514.00 | 3207.00 | - | 2924.00 | 2767.00 | 3515.00 | 4692.00 | - | ||
| (S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- | - | - | - | - | 8336.00 | - | - | - | - | - | - | - | - | - | - | ||
| SEBACIC ACID (CAS# 111-20-6); (M-H)- | 115916.00 | 113361.00 | 116993.00 | 111573.00 | 114339.00 | 162287.00 | 153226.00 | 177535.00 | 131821.00 | 162678.00 | 115148.00 | 120897.00 | 131140.00 | 124546.00 | 136877.00 | ||
| SERINE (CAS# 56-45-1); (M-H)- | 3033.00 | 3411.00 | 2987.00 | 2728.00 | - | 1603.00 | 3014.00 | - | 2693.00 | 3627.00 | 1853.00 | 2278.00 | - | 2041.00 | 2837.00 | ||
| SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)- | 280326.00 | 402024.00 | 358952.00 | 346640.00 | 380700.00 | 167376.00 | 236118.00 | 185596.00 | 251360.00 | 162046.00 | 224237.00 | 349236.00 | 330402.00 | 289116.00 | 538493.00 | ||
| SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- | 61691.00 | - | 88867.00 | 123925.00 | 46079.00 | - | 37104.00 | 18281.00 | - | - | - | - | 53919.00 | - | - | ||
| STACHYOSE (CAS# 54261-98-2); (M-H)- | 13377.00 | 9211.00 | 11109.00 | - | - | - | 12541.00 | - | - | - | 16273.00 | 11910.00 | - | - | 10063.00 | ||
| STEARATE (CAS# 57-11-4); (M-H)- | 765977.00 | 973982.00 | 693759.00 | 603855.00 | 624587.00 | 741372.00 | 511494.00 | 520357.00 | 512485.00 | 497541.00 | 651899.00 | 426284.00 | 451017.00 | 516123.00 | 463749.00 | ||
| SUBERIC ACID (CAS# 505-48-6); (M-H)- | 29650.00 | 22976.00 | 40478.00 | 20316.00 | 20474.00 | 88192.00 | 46013.00 | 117073.00 | 32364.00 | 63673.00 | 27872.00 | 27886.00 | 29222.00 | 56659.00 | - | ||
| SUCCINATE (CAS# 110-15-6); (M-H)- | 765080.00 | 591847.00 | 577501.00 | 486253.00 | 492211.00 | 495155.00 | 341932.00 | 351073.00 | 337804.00 | 397728.00 | 571717.00 | 488027.00 | 477856.00 | 481694.00 | 430371.00 | ||
| SUCROSE (CAS# 57-50-1); (M+HCOO)- | - | 1771.00 | - | 1455.00 | - | 1095.00 | - | 2521.00 | - | - | - | - | 1103.00 | - | - | ||
| TARTARIC ACID (CAS# 87-69-4); (M-H)- | - | 4578.00 | 4454.00 | 4517.00 | 4505.00 | 1862.00 | 3345.00 | - | 5344.00 | - | 2677.00 | 3353.00 | 7207.00 | 5785.00 | 7790.00 | ||
| TAURINE (CAS# 107-35-7); (M-H)- | 7225.00 | - | - | - | - | 36775.00 | - | 4816.00 | 6448.00 | - | - | - | 13231.00 | - | - | ||
| TEREPHTHALATE (CAS# 100-21-0); (M-H)- | 6334.00 | 7967.00 | 3184.00 | - | 5095.00 | 12234.00 | 6032.00 | 24551.00 | - | 7581.00 | 3029.00 | - | - | 5053.00 | - | ||
| THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] | 3437145.00 | 2872748.00 | 3062188.00 | 2738071.00 | 2826337.00 | 2135973.00 | 2081061.00 | 1801234.00 | 2274170.00 | - | 2055456.00 | 2344977.00 | 2541271.00 | 2222486.00 | 2879624.00 | ||
| THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | 1142.00 | - | ||
| THYMINE (CAS# 65-71-4); (M-H)- | 15427.00 | 16447.00 | 13604.00 | 20784.00 | 15618.00 | 14939.00 | 20002.00 | 16400.00 | 16519.00 | 31101.00 | 12075.00 | 18846.00 | 18190.00 | 18619.00 | 13760.00 | ||
| THYROTROPIN RELEASING HORMONE (CAS# 24305-27-9); (M+CL)- | - | - | - | 5108.00 | - | - | - | - | 3259.00 | - | - | - | - | - | - | ||
| TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- | 1098959.00 | 820437.00 | 859349.00 | 856069.00 | 744562.00 | 1152353.00 | 805391.00 | 799426.00 | 777549.00 | 701363.00 | 888510.00 | 869550.00 | 583226.00 | 649239.00 | 973145.00 | ||
| TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- | 853124.00 | 729733.00 | 980209.00 | 712945.00 | 699756.00 | 248444.00 | 243494.00 | 191457.00 | 258606.00 | 186970.00 | 1690876.00 | 728652.00 | 359938.00 | 519718.00 | 362939.00 | ||
| TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- | 70397.00 | - | 16556.00 | 13046.00 | 21922.00 | 71508.00 | 22867.00 | 28956.00 | 33316.00 | - | 40700.00 | 23394.00 | 32751.00 | 20666.00 | 22977.00 | ||
| TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] | 15503.00 | 18100.00 | 11017.00 | 14572.00 | 17056.00 | 27157.00 | 12874.00 | 9194.00 | - | 16449.00 | 19792.00 | 20477.00 | 11818.00 | 9262.00 | 21322.00 | ||
| TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- | 3902.00 | 2930.00 | 1314.00 | 3527.00 | 4036.00 | - | - | - | - | 1164.00 | 4305.00 | 2343.00 | - | - | 2254.00 | ||
| TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- | 1440.00 | 1595.00 | 2691.00 | 1907.00 | 1768.00 | 3741.00 | 1022.00 | 1627.00 | 1491.00 | 1724.00 | 21283.00 | - | 1135.00 | 2071.00 | - | ||
| TRYPTOPHAN (CAS# 73-22-3); (2M-H)- | - | - | - | 59693.00 | 66285.00 | - | 91257.00 | - | - | - | - | - | - | - | - | ||
| TRYPTOPHAN (CAS# 73-22-3); (M-H)- | 2010710.00 | 1890647.00 | 1901649.00 | 1635958.00 | 1558269.00 | 1752023.00 | 2097908.00 | 1780467.00 | 1881353.00 | 2826116.00 | 1691424.00 | 1740534.00 | 1654867.00 | 1345996.00 | 1492942.00 | ||
| TYROSINE (CAS# 60-18-4); (M-H)- | 470531.00 | 539312.00 | 529042.00 | 516405.00 | 534970.00 | 444917.00 | 619137.00 | 507551.00 | - | 666519.00 | 417731.00 | 456989.00 | 440496.00 | 351292.00 | 446161.00 | ||
| UDP-GALACTOSE (CAS# 2956-16-3); (M-H)- | - | - | 322968.00 | - | - | - | - | - | - | - | - | - | 191463.00 | - | - | ||
| UDP-GLUCOSE (CAS# 133-89-1); (M-H)- | - | - | 321707.00 | - | - | - | - | - | - | - | - | - | 189335.00 | - | - | ||
| UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)- | 2912695.00 | 19800000.00 | 11200000.00 | 8034057.00 | 6200910.00 | 1209357.00 | 9149490.00 | 5717608.00 | 7090542.00 | 5750904.00 | 1664577.00 | 7855245.00 | 4420812.00 | 2936012.00 | 18600000.00 | ||
| UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O] | - | - | - | - | - | - | - | - | - | - | - | - | - | 2136.00 | - | ||
| UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)- | - | - | - | - | - | - | 1272905.00 | - | - | - | - | 1223577.00 | 564747.00 | - | - | ||
| URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)- | - | - | 21024.00 | - | - | - | - | 22840.00 | - | 24973.00 | - | - | - | - | 20692.00 | ||
| URATE (CAS# 69-93-2); (M-H)- | 79274.00 | 69075.00 | 52310.00 | 102881.00 | 79834.00 | 84025.00 | 95203.00 | 89468.00 | 92411.00 | 126261.00 | 66147.00 | 54049.00 | 59992.00 | 64225.00 | 22478.00 | ||
| URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- | 240275.00 | 147002.00 | 111833.00 | 102758.00 | 125437.00 | 51410.00 | 10236.00 | 2376.00 | 20648.00 | 1083.00 | 91492.00 | 122172.00 | 58116.00 | 102881.00 | 49438.00 | ||
| URIDINE (CAS# 58-96-8); (M+CL)- | 70724.00 | 31871.00 | 39059.00 | 46070.00 | 54171.00 | 26779.00 | 36699.00 | 17137.00 | - | 22129.00 | 41193.00 | 51356.00 | 21991.00 | 43334.00 | 31186.00 | ||
| URIDINE (CAS# 58-96-8); (M-H)- | 44560.00 | 55107.00 | 22288.00 | - | 30226.00 | - | - | - | - | - | 23441.00 | 75358.00 | - | 76738.00 | 64960.00 | ||
| URIDINE (CAS# 58-96-8); (M+HCOO)- | - | 1565.00 | 34440.00 | - | 5268.00 | - | - | - | - | - | - | 64164.00 | 52445.00 | 50935.00 | 54489.00 | ||
| UROCANATE (CAS# 104-98-3); (M-H)- | 4023.00 | 3086.00 | 3880.00 | 2637.00 | 2880.00 | - | 2968.00 | 4997.00 | 2435.00 | 3573.00 | 2393.00 | 2531.00 | 4001.00 | 4381.00 | 4506.00 | ||
| URSODIOL (CAS# 128-13-2); (M-H)- | - | - | - | - | - | 2674209.00 | - | - | - | - | - | - | - | - | - | ||
| URSODIOL (CAS# 128-13-2); (M+HCOO)- | - | - | - | - | - | 6318.00 | - | - | - | - | - | - | - | - | - | ||
| VALINE (CAS# 72-18-4); (M-H)- | - | 27525.00 | 20913.00 | 8312.00 | - | - | - | - | - | - | - | - | 8666.00 | - | - | ||
| XANTHINE (CAS# 69-89-6); (M-H)- | 81219.00 | 88152.00 | 76240.00 | 187416.00 | 148073.00 | 60612.00 | 104188.00 | 81821.00 | 95293.00 | 130831.00 | 68975.00 | 103024.00 | 103171.00 | 86901.00 | 70542.00 | ||
| XANTHOSINE 5^-PHOSPHATE (CAS# 523-98-8); (M-H)- | - | - | - | - | 1301.00 | - | - | 2980.00 | 1684.00 | 4101.00 | - | - | - | - | 2716.00 | ||
| XANTHOSINE (CAS# 146-80-5); (M-H)- | 4079.00 | - | - | - | 4117.00 | - | - | - | - | 2958.00 | - | - | - | - | - | ||
| XYLOSE (CAS# 58-86-6); (M+HCOO)- | 256499.00 | 238348.00 | 259371.00 | 227670.00 | 250756.00 | 293846.00 | 237353.00 | 202283.00 | 312865.00 | 137330.00 | 374812.00 | 327409.00 | 360730.00 | 315999.00 | 348477.00 | ||
| ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- | 1949997.00 | 1457160.00 | 1526741.00 | 1468281.00 | 1318420.00 | 1711727.00 | 1503682.00 | 1489197.00 | 1419414.00 | 1966261.00 | 1714441.00 | 1478275.00 | 1571950.00 | 1443240.00 | 1579577.00 | ||
| ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- | 2884312.00 | 2327450.00 | 2517214.00 | 2259069.00 | 2188415.00 | 2493975.00 | 2228585.00 | 2190551.00 | 2170280.00 | 2998979.00 | 2700951.00 | 2527644.00 | 2305575.00 | 2385789.00 | 2560915.00 |
Factors:
| F1 | Cell Type:BS4 | Stimulation:IFN-G |
| F2 | Cell Type:BS4 | Stimulation:IL-17A |
| F3 | Cell Type:BS4 | Stimulation:TNF-alpha |
| F4 | Cell Type:BS4 | Stimulation:TNF-alpha+IL-17A |
| F5 | Cell Type:BS4 | Stimulation:Untreated |
| F6 | Cell Type:HAHA | Stimulation:IFN-G |
| F7 | Cell Type:HAHA | Stimulation:IL-17A |
| F8 | Cell Type:HAHA | Stimulation:TNF-alpha |
| F9 | Cell Type:HAHA | Stimulation:TNF-alpha+IL-17A |
| F10 | Cell Type:HAHA | Stimulation:Untreated |
| F11 | Cell Type:PAK | Stimulation:IFN-G |
| F12 | Cell Type:PAK | Stimulation:IL-17A |
| F13 | Cell Type:PAK | Stimulation:TNF-alpha |
| F14 | Cell Type:PAK | Stimulation:TNF-alpha+IL-17A |
| F15 | Cell Type:PAK | Stimulation:Untreated |
| F16 | Cell Type:POOLED | Stimulation:POOLED |
