Data for ST004341
| Metabolite structure | All data | F1 | F2 | F3 |
|---|---|---|---|---|
| 10-(beta-Dimethylaminopropionyl)phenothiazine | 1.00 | 221072.50 | 294368.20 | |
| 10-fluoro-capric acid | 1.00 | 1.00 | 90691.00 | |
| (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol | 1.00 | 1.00 | 74396.90 | |
| 1-(14-methyl-pentadecanyl)-2-(8-[3]-ladderane-octanyl)-sn-gl... | 1.00 | 1.00 | 367761.90 | |
| 1,17-Heptadecanediol | 2930439.19 | 4023694.50 | 1.00 | |
| 11-Dehydrodexamethasone | 238660.50 | 115684.40 | 141106.10 | |
| 1,1-Dimethoxydecane | 1.00 | 1.00 | 268790.50 | |
| 11-Hydroxycanthin-6-one | 1.00 | 1.00 | 866921.10 | |
| 11-Ketorockogenin acetate | 1.00 | 1.00 | 805348.60 | |
| 1,2,4-Triazole-3-alanine | 5200456.81 | 3750132.60 | 1.00 | |
| 12alpha-Hydroxy-13,18-dehydroparain | 240861.62 | 1.00 | 172771.90 | |
| 1,2-bis(heptanoylthio) Glycerophosphocholine | 1.00 | 1.00 | 515384.80 | |
| 1,2-bis(heptanoylthio) Glycerophosphocholine Esi+12.807001 | 1.00 | 1.00 | 319985.20 | |
| 1,2-bis(heptanoylthio) Glycerophosphocholine Esi+13.358 | 1.00 | 1.00 | 480146.60 | |
| 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole | 1.00 | 13840168.10 | 13155313.00 | |
| 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole Esi+1.78... | 1.00 | 6250944.80 | 11583817.10 | |
| 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole Esi+1.78... | 6856319.12 | 5940000.70 | 10323821.10 | |
| 1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole Esi+1.79... | 6468750.69 | 1.00 | 11762070.30 | |
| 13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester | 48764.69 | 76537.70 | 176392.30 | |
| 1,3,6-Trihydroxy-5-methoxyxanthone | 1.00 | 1.00 | 464131.40 | |
| 13-cis-retinoic acid, Isotretinoin | 1.00 | 1.00 | 137028.90 | |
| 13E-Docosenamide | 24475000.00 | 20280000.00 | 20820000.00 | |
| 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid | 30539.44 | 29074.50 | 88807.20 | |
| 1,4-Dibenzylpiperazine | 100237.81 | 1.00 | 237505.20 | |
| 15:0 Cholesteryl ester | 1.00 | 1.00 | 141845.20 | |
| 15(S)-Latanoprost | 188749.75 | 148870.90 | 208415.70 | |
| 16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phe... | 1.00 | 160925.00 | 288869.40 | |
| 1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-... | 1.00 | 1.00 | 312261.60 | |
| 16-Hydroxy-10-oxohexadecanoic acid | 1.00 | 1.00 | 172811.00 | |
| 18:1 Campesteryl ester | 1.00 | 1.00 | 198471.90 | |
| 18:1 Campesteryl ester Esi+24.020002 | 1.00 | 1.00 | 183541.70 | |
| 1,8-Diazacyclotetradecane-2,9-dione | 2594525.44 | 2619120.00 | 1315146.50 | |
| 1,8-Diazacyclotetradecane-2,9-dione Esi+7.802308 | 1727690.25 | 432982.30 | 986035.80 | |
| 1,8-Diazacyclotetradecane-2,9-dione Esi+8.092537 | 1.00 | 431278.30 | 675303.40 | |
| 18-Nor-4(19),8,11,13-abietatetraene | 1.00 | 102293.90 | 128971.60 | |
| 1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-... | 718416.19 | 280133.30 | 650750.00 | |
| 1-Benzyl-1,2,3,4-tetrahydroisoquinoline | 207172.56 | 1.00 | 153406.00 | |
| 1-Chloro-2,2-bis(4^-chlorophenyl)ethane | 74757.62 | 1.00 | 194643.20 | |
| 1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate | 551906.75 | 211855.40 | 783435.80 | |
| 1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione | 1743522.12 | 1796657.90 | 463118.80 | |
| 1-L-Leucyl-L-Proline | 198608.75 | 1.00 | 1433235.60 | |
| 1-L-Leucyl-L-Proline Esi+8.3825 | 131224.38 | 1.00 | 287009.20 | |
| 1-Methoxyphenanthrene | 394804.25 | 276576.10 | 247637.80 | |
| 1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-I... | 1.00 | 1.00 | 481046.90 | |
| 1-Phenanthrol | 544771.81 | 146460.10 | 631161.10 | |
| 1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol | 131972.56 | 149798.80 | 345532.60 | |
| 20:3 Stigmasteryl ester | 1.00 | 1.00 | 58286.60 | |
| 20-fluoro-11Z-eicosenoic acid | 1.00 | 1.00 | 204520.70 | |
| 22:0-Glc-Campesterol Esi+23.599 | 1.00 | 1.00 | 3628644.10 | |
| 22:1 Sitosteryl ester | 257680.81 | 90746.80 | 393799.20 | |
| 2,2^,3-Trihydroxy-3^-methoxy-5,5^-dicarboxybiphenyl | 1.00 | 1.00 | 849527.90 | |
| 2,2-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-... | 1.00 | 1.00 | 92686.70 | |
| 2,3-di-0-hexanoyl-alpha-glucopyranose | 146576.25 | 204247.50 | 382115.90 | |
| 2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one | 228624.62 | 738275.40 | 702648.30 | |
| 2,3-dinor Thromboxane B1 | 1.00 | 1.00 | 77532.50 | |
| 24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?... | 376943.69 | 555856.50 | 618025.00 | |
| 24,25-Epoxy-cholesterol | 181539.88 | 244130.00 | 200334.20 | |
| 24,25-epoxy-cholesterol(d6) | 1.00 | 1.00 | 45414.20 | |
| 2,4-Dodecadienoic acid pyrrolidide | 67044.81 | 10268.40 | 72036.30 | |
| 2-(4-Methyl-5-thiazolyl)ethyl formate | 1.00 | 1.00 | 823109.70 | |
| 2-(4-Methyl-5-thiazolyl)ethyl isobutyrate | 154210.69 | 1.00 | 154149.10 | |
| (24R)-1?,25-dihydroxy-24-methylvitamin D3 /(24R)-1?,25-dihyd... | 395913.69 | 474556.00 | 421816.30 | |
| 2,5-Dihydro-2,4-dimethyloxazole | 1680522.81 | 1439231.30 | 632474.90 | |
| 2,6R-Dimethyl-2E-octen-1,8-dioic acid | 1.00 | 30600000.40 | 4344776.70 | |
| 29-demethylgeodisterol-O-sulfite | 1.00 | 1.00 | 412411.60 | |
| 2-(a-Hydroxyethyl)thiamine diphosphate | 1.00 | 1.00 | 215739.60 | |
| 2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one | 1.00 | 1.00 | 57815.60 | |
| 2-amino-14,16-dimethyloctadecan-3-ol | 136349.94 | 157170.80 | 102340.10 | |
| 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline | 579073.44 | 1.00 | 903366.60 | |
| 2-Amino-3-oxobutanoate | 1.00 | 1.00 | 1010826.50 | |
| 2-DPMP | 139227.44 | 147085.80 | 479767.20 | |
| 2-DPMP Esi+9.127 | 1.00 | 1.00 | 213787.40 | |
| (2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one | 121299.50 | 100365.80 | 87218.60 | |
| 2-Hexaprenyl-6-methoxy-1,4-benzoquinol | 1.00 | 1.00 | 90562.90 | |
| 2-Hexylbenzothiazole | 214725.81 | 1.00 | 422164.40 | |
| 2-Hexylthiophene | 661597.69 | 365498.20 | 555964.30 | |
| 2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate | 1383290.88 | 969023.90 | 2935081.30 | |
| 2^-Hydroxygenistein 7-(6^^-malonylglucoside) | 10130.94 | 1.00 | 23158.70 | |
| 2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane | 1.00 | 1.00 | 136749.10 | |
| 2-Methoxycanthin-6-one | 1.00 | 60680.90 | 434817.80 | |
| 2-Methoxycanthin-6-one Esi+5.9490004 | 1.00 | 1.00 | 326195.30 | |
| 2-Methoxyestradiol-17? 3-sulfate | 223236.56 | 136083.70 | 331989.90 | |
| 2-Naphthaldehyde | 119379.75 | 307191.80 | 418352.00 | |
| 2-Naphthaldehyde Esi+3.7302728 | 193011.06 | 1.00 | 471995.80 | |
| 2-O-Caffeoylglucarate | 1.00 | 1.00 | 954547.80 | |
| 2-O-p-Coumaroyltartronic acid | 1.00 | 112130.00 | 1950130.50 | |
| (?-2-Pentylthiazolidine | 150883.94 | 162121.50 | 294384.20 | |
| 2-Protocatechoylphloroglucinolcarboxylate | 1023148.88 | 768624.70 | 465782.00 | |
| 2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-?-methyl- | 303469.69 | 1453314.30 | 945282.10 | |
| 2-Undecyl-4(1H)-quinolinone N-oxide | 1.00 | 1.00 | 409012.60 | |
| 3,17-Dihydroxypancuronium | 1.00 | 35753.20 | 188469.10 | |
| 3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate | 1.00 | 1.00 | 418945.00 | |
| 3,6-Ditigloyloxytropan-7-ol | 40377.38 | 1.00 | 159808.80 | |
| (3-Aminopropoxy)guanidine | 1.00 | 1.00 | 111869.40 | |
| (3-Aminopropoxy)guanidine Esi+6.7845 | 26833.19 | 1.00 | 185644.10 | |
| (3b,16a,20R)-25-Acetoxy-3,16,20,22-tetrahydroxy-5-cucurbiten... | 29785.56 | 50121.80 | 729777.50 | |
| (3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-di... | 1.00 | 1.00 | 116933.50 | |
| 3-beta-hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-c... | 20125000.00 | 20160000.00 | 19590000.00 | |
| 3-Chloro-2-hydroxymuconic semialdehyde | 1.00 | 1.00 | 260116.50 | |
| 3-Deoxyvitamin D3 | 276146.81 | 281317.50 | 273328.40 | |
| (3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne | 1.00 | 5787393.40 | 14655439.90 | |
| (3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne Esi+1.7902498 | 13631250.50 | 7430000.70 | 11911821.80 | |
| 3-Epimasticadienolic acid | 1.00 | 1.00 | 176060.00 | |
| 3-Formylrifampin | 1.00 | 1.00 | 90555.20 | |
| 3?-Hydroxy-5?,6?-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al | 1.00 | 1.00 | 276190.20 | |
| 3-Mercaptohexyl hexanoate | 1.00 | 1.00 | 1425948.60 | |
| 3-Methylsulfinylpropyl isothiocyanate | 1.00 | 1.00 | 413995.20 | |
| 3-Oxo-alpha-ionol 9-[apiosyl-(1-6)-glucoside] | 1.00 | 1.00 | 7068533.80 | |
| 3-oxohexacosanoic acid | 1.00 | 1.00 | 485315.60 | |
| (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid | 88276.88 | 221483.40 | 297322.00 | |
| (3xi,6xi)-Cyclo(alanylvalyl) | 1.00 | 3139300.70 | 2900375.30 | |
| 3Z,6Z,9Z,12Z-eicosatetraene | 1.00 | 1.00 | 530651.50 | |
| (3Z)-Phytochromobilin | 516282.38 | 583700.40 | 668359.10 | |
| 4,4^-Diapolycopene | 77781.81 | 1.00 | 175199.60 | |
| 4,4^-Methylene bis(2-methylaniline) | 208504.25 | 127179.40 | 1310002.20 | |
| 4,5-Dimethoxy-1,2-benzenedicarboxylic acid | 1.00 | 25848670.80 | 23549146.50 | |
| 4,5-Dimethoxy-1,2-benzenedicarboxylic acid Esi+2.9879997 | 1.00 | 1.00 | 11292809.90 | |
| 4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin | 777687.31 | 221161.30 | 656672.80 | |
| [4,8^^:4^^,8^^^^-Terflavan]-3,3^^,3^^^^,4^,4^^^,4^^^^,4^^^^^... | 1.00 | 1.00 | 87083.00 | |
| 4a-Hydroxymethyl-4b-methyl-5a-cholesta-8,24-dien-3b-ol | 336505.88 | 269062.30 | 283907.10 | |
| 4a-Hydroxymethyl-4b-methyl-5a-cholesta-8,24-dien-3b-ol Esi+2... | 352605.69 | 1.00 | 327901.50 | |
| 4-Amino-2-methyl-1-naphthol | 2357527.31 | 642395.40 | 1766340.30 | |
| 4-Amino-2-nitrophenol | 1.00 | 1.00 | 962235.70 | |
| 4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid | 1.00 | 429524.20 | 331270.40 | |
| 4-Aminohippurate | 556488.88 | 1.00 | 937705.80 | |
| 4-Carboxy-4-hydroxy-2-oxoadipate | 103919.06 | 1.00 | 289300.00 | |
| 4-Carboxy-4^-sulfoazobenzene | 1.00 | 473068.10 | 796992.90 | |
| 4^-Chloro-2-hydroxyaurone | 741893.88 | 1.00 | 2439204.60 | |
| 4^-Chloro-2-hydroxyaurone Esi+1.2609999 | 1.00 | 1.00 | 2108380.40 | |
| 4-Chloro-3,5-dimethoxybenzyl alcohol | 1.00 | 15530000.70 | 9194853.90 | |
| 4-Fluorophenylacetic acid | 188234.25 | 1.00 | 596732.00 | |
| 4-Fluorophenylacetic acid Esi+5.6459994 | 170261.00 | 1.00 | 632972.70 | |
| 4-Hydroxybenzenesulfonic acid | 1.00 | 1.00 | 380992.10 | |
| 4-Hydroxyfurano[2^^,3^^:6,7]aurone | 1.00 | 1.00 | 108504.60 | |
| 4-Hydroxyglucobrassicin | 115228.50 | 1.00 | 123648.10 | |
| 4-Methoxycinnamic acid | 19108.19 | 33531.20 | 68315.10 | |
| (4OH,8Z,t18:1) sphingosine | 1.00 | 1.00 | 8238918.70 | |
| (4OH,8Z,t18:1) sphingosine 12.047142 | 3497757.00 | 1.00 | 6265361.60 | |
| 4S,5S-antillatoxin A | 1.00 | 1.00 | 1558212.60 | |
| 5,2^,4^-Trihydroxy-3,6,7,8-tetramethoxyflavone | 1.00 | 1.00 | 1079663.80 | |
| 5-(4-Acetoxy-3-oxo-1-butynyl)-2,2^-bithiophene Esi+5.6459 | 23361.50 | 1.00 | 69622.20 | |
| 5,6,7,8-Tetrahydromethanopterin | 1.00 | 1.00 | 219648.20 | |
| 5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-... | 1.00 | 1.00 | 263657.20 | |
| 5-Acetyl-2,4-dimethylthiazole | 876308.06 | 1.00 | 606376.60 | |
| 5a-Dihydrotestosterone sulfate | 932437.88 | 412728.90 | 470434.20 | |
| 5-Amino-6-ribitylamino uracil | 1.00 | 1.00 | 102200.00 | |
| (5b,7a,12a)-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)... | 1.00 | 1.00 | 395119.50 | |
| (5b,7a,12a)-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)... | 1.00 | 1.00 | 387662.20 | |
| 5-Fluoro-5^-Deoxyuridine | 1.00 | 77570.00 | 223351.40 | |
| 5-Fluorouridine monophosphate | 328821.12 | 114553.50 | 325644.30 | |
| 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxyl... | 74059.88 | 1.00 | 222669.40 | |
| 5-Hydroxyindoleacetylglycine | 1.00 | 1.00 | 593932.80 | |
| 5-Hydroxyprimaquine | 1.00 | 1.00 | 351438.80 | |
| 5-Methoxy-DL-tryptophan | 1.00 | 1.00 | 491167.00 | |
| 5(S),6(R)-Lipoxin A4-d5 | 1.00 | 422938.20 | 348933.10 | |
| 5^-S-Methyl-5^-thioinosine | 140125.44 | 1.00 | 503006.10 | |
| 6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran | 184329.25 | 159685.30 | 1.00 | |
| 6,3^,4^-Trihydroxy-4-methoxy-7-methylaurone | 134455.12 | 1.00 | 164878.60 | |
| 6,8,10,12-pentadecatetraenal | 379680.38 | 1.00 | 241207.00 | |
| (+/-)-6-Acetonyldihydrochelerythrine | 1.00 | 1.00 | 260304.80 | |
| 6-Benzylaminopurine | 159137.19 | 164536.90 | 217506.90 | |
| (6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one | 300169.62 | 168028.10 | 287140.80 | |
| 6-Deoxy-5-ketofructose 1-phosphate | 1.00 | 1.00 | 393629.20 | |
| [6]-Gingerdiol 5-acetate | 28325.56 | 1.00 | 406289.70 | |
| 6-Heptynoic acid | 1.00 | 1.00 | 859513.40 | |
| 6-Hydroxy-1H-indole-3-acetamide | 1.00 | 1.00 | 2686931.30 | |
| 6?-Hydroxy-3-oxo-5?-cholan-24-oic Acid | 1386542.00 | 1602296.90 | 1514175.20 | |
| 6-Hydroxyindole | 1015776.19 | 1807040.60 | 1538506.00 | |
| 6-HydroxyKetanserin | 1.00 | 1.00 | 387966.40 | |
| 6-Hydroxysandoricin | 534874.44 | 310626.10 | 1.00 | |
| 6-Mercaptopurine ribonucleoside 5^-diphosphate | 1.00 | 1.00 | 369792.40 | |
| 6-Mercaptopurine ribonucleoside 5^-diphosphate Esi+12.513 | 1.00 | 1.00 | 776941.50 | |
| 6^-Methoxypolygoacetophenoside | 1.00 | 1.00 | 378918.70 | |
| 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inos... | 1.00 | 1.00 | 60381.10 | |
| (6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine di... | 1.00 | 1.00 | 142849.00 | |
| (6S)-vitamin D3 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) a... | 1.00 | 427865.20 | 1005109.60 | |
| 7-Carboxynalidixic acid | 1.00 | 1.00 | 141016.50 | |
| 7-Chloro-3,3^,4^,5,6,8-hexamethoxyflavone | 1.00 | 1.00 | 883245.60 | |
| 7-chlorothieno[2,3-c]Pyridine | 354167.00 | 495824.10 | 1084956.60 | |
| (7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione | 1.00 | 1.00 | 978033.70 | |
| 7-Ethyl-3,11-dimethyl-1,3Z,6E,10E-tridecatetraene Esi+17.972... | 1.00 | 1.00 | 83103.20 | |
| 7H-Dibenzo[c,g]carbazole | 200130.50 | 199931.50 | 260067.90 | |
| 7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid | 2455003.12 | 1251230.50 | 2180111.90 | |
| 7-Hydroxytrifluoperazine glucuronide | 871394.75 | 1.00 | 246628.00 | |
| 7-Methylguanosine | 1.00 | 154644.00 | 401666.70 | |
| 7-Methylthioheptyl glucosinolate | 1.00 | 22081.70 | 64106.40 | |
| 8-Acetoxy-4^-methoxypinoresinol 4-glucoside | 243008.38 | 153851.40 | 292268.70 | |
| 8-Chloro-5,7,4^-trihydroxy-3-C-methylflavanone | 1.00 | 1.00 | 1087705.80 | |
| 8-methyl-hexadecanedioic acid | 1.00 | 1.00 | 940512.70 | |
| 8-O-Methyloblongine | 1.00 | 47993.80 | 174626.60 | |
| 9,10-Dihydroxyanthracene | 265138.94 | 330671.20 | 299025.50 | |
| 9,10-Dihydroxyanthracene Esi+7.184999 | 194753.19 | 1.00 | 325682.10 | |
| 9,12,15-Octadecatrien-1-ol | 1.00 | 1.00 | 51181.90 | |
| 9-bromo-decanoic acid | 1.00 | 229262.20 | 491934.70 | |
| 9-Docosene | 1.00 | 1.00 | 260228.60 | |
| 9H-Carbazole-3-carboxaldehyde | 820785.06 | 1.00 | 940823.50 | |
| 9-Pentacosene | 1.00 | 1.00 | 403073.20 | |
| 9R,10S-Epoxy-6Z-heneicosene | 1.00 | 1.00 | 2976720.10 | |
| 9S,10S,11R-trihydroxy-12Z-octadecenoic acid | 99492.38 | 1.00 | 131849.50 | |
| A2E | 31423.81 | 1.00 | 149419.10 | |
| A 80987 | 1.00 | 1.00 | 159273.90 | |
| (Ac)2-L-Lys-D-Ala | 449041.69 | 159189.10 | 656696.80 | |
| Acetoxyacetone | 1500761.25 | 3567201.10 | 2868682.50 | |
| Actinamine | 1.00 | 1.00 | 488336.80 | |
| AG-99 | 1.00 | 1.00 | 205467.00 | |
| AL 8810 ethyl amide | 1.00 | 1.00 | 276117.20 | |
| Ala Ala Pro | 225799.88 | 256122.20 | 182672.70 | |
| Ala Ala Pro Esi+5.326 | 1.00 | 1.00 | 184954.90 | |
| Ala Arg Pro | 81035.56 | 210731.20 | 415561.80 | |
| Ala-Gly-OH | 1.00 | 1.00 | 210809.50 | |
| Ala Phe Ala | 1.00 | 1.00 | 194367.30 | |
| Ala Thr Lys | 95055.75 | 1.00 | 215545.90 | |
| Ala Val Ala | 1.00 | 1.00 | 393045.30 | |
| Albendazole (IV) 1H-Benzimidazol-2-amine | 1.00 | 1.00 | 303288.50 | |
| Alcoifosfamide | 1.00 | 1.00 | 67341.60 | |
| a-L-Fucopyranosyl-(1-2)-b-D-galactopyranosyl-(1-2)-D-xylose | 172341.94 | 90174.30 | 169083.90 | |
| Aliskiren | 1.00 | 1.00 | 370225.80 | |
| (all-E)-1,7,9-Heptadecatriene-11,13,15-triyne | 58808.69 | 1.00 | 145742.30 | |
| Alloxan | 957092.19 | 514969.60 | 1.00 | |
| Allyl thiohexanoate | 1.00 | 1.00 | 214026.30 | |
| alpha-Amyrin cerotate | 204702.88 | 92105.00 | 192497.10 | |
| alpha-Amyrin cerotate Esi+21.080252 | 33650.06 | 1.00 | 93767.60 | |
| alpha-Ionol O-[arabinosyl-(1-6)-glucoside] | 1.00 | 1.00 | 191926.10 | |
| AMCC | 1.00 | 1.00 | 156408.00 | |
| Anandamide (18:3, n-6) | 1.00 | 1.00 | 266448.50 | |
| Anastatin B | 153860.88 | 1.00 | 278026.20 | |
| Angustine | 850962.38 | 464801.10 | 734529.30 | |
| Antirrhinoside | 93735.56 | 1.00 | 199149.90 | |
| Apigenin 7-[p-coumaroyl-(-2)-[glucuronyl-(1-3)]-glucuronyl-(... | 333882.94 | 198058.00 | 146708.10 | |
| Arabinosylhypoxanthine | 1.00 | 1.00 | 635185.00 | |
| Arg His Trp | 1.00 | 1.00 | 119881.10 | |
| Arginyl-Alanine | 1.00 | 1.00 | 104220.10 | |
| Argyrolobine | 1.00 | 1.00 | 454671.70 | |
| Armillarivin | 458430.62 | 245951.20 | 307890.30 | |
| Artonol B | 1.00 | 1.00 | 286563.10 | |
| Artonol E | 34774.12 | 1.00 | 161364.90 | |
| Asn Gln Glu | 470219.75 | 284185.30 | 281041.80 | |
| Asn Tyr Arg | 1.00 | 1.00 | 62791.20 | |
| Aspartyl-Asparagine | 1.00 | 1.00 | 235937.80 | |
| Asp Asn Gln | 1040857.25 | 1.00 | 1784744.60 | |
| Asp Met Met | 1.00 | 38917.40 | 102139.10 | |
| Atractylodin | 1109458.69 | 1.00 | 691089.30 | |
| Austalide L | 1333367.19 | 450907.60 | 826272.40 | |
| Avadharidine | 401076.81 | 172363.40 | 416965.50 | |
| Azafenidin | 76762.75 | 107257.40 | 203174.60 | |
| Azoxy-1-procarbazine | 510674.38 | 1.00 | 1.00 | |
| b-Chlorogenin 3-[4^^-(2^^^-glucosyl-3^^^-xylosylglucosyl)gal... | 1.00 | 1.00 | 190540.80 | |
| Benomyl | 1.00 | 1.00 | 268357.50 | |
| Benzaldehyde | 1.00 | 1.00 | 2946457.50 | |
| Benzethonium | 29417.25 | 24641.10 | 61287.80 | |
| Benzoylagmatine | 30859.44 | 1.00 | 38100.40 | |
| Benzthiazide | 736975.00 | 1.00 | 525113.20 | |
| benzyl 4-(1,3-dioxoisoindolin-2-yl)-2^,2^-dimethyl-3^,5-diox... | 66855.06 | 96046.50 | 205463.50 | |
| Berberrubine | 1.00 | 100020.20 | 144092.70 | |
| beta-D-Galactopyranosyl-(1-4)-2-amino-2-deoxy-beta-D-glucopy... | 67370.69 | 1.00 | 99093.30 | |
| beta-Hydroxyacteoside | 1.00 | 1.00 | 84958.00 | |
| Betavulgaroside VI | 1.00 | 1.00 | 97448.40 | |
| Biliverdin IX | 1.00 | 1.00 | 324634.80 | |
| Bisbynin | 932248.94 | 146479.10 | 229935.70 | |
| Bisosthenon B | 106217.19 | 1.00 | 92054.60 | |
| Bluensomycin | 1.00 | 1.00 | 584551.50 | |
| Borrerine | 1.00 | 1.00 | 131311.10 | |
| Bromfenac | 1.00 | 1.00 | 170711.80 | |
| Bromocriptine | 1.00 | 1.00 | 166895.50 | |
| Bromoenol lactone | 1.00 | 28220.60 | 46106.80 | |
| Brucine | 1.00 | 1.00 | 46200.80 | |
| Bryotoxin A Esi+14.615999 | 1.00 | 1.00 | 449284.50 | |
| Buformin | 839814.44 | 1362498.30 | 1009972.80 | |
| BW 246C | 1.00 | 1.00 | 87276.80 | |
| C18-OH Sulfatide | 1.00 | 1.00 | 5224850.80 | |
| Canescein | 104153.62 | 1.00 | 158626.60 | |
| Cannabidiol dimethyl ether | 47683.12 | 148218.60 | 96654.50 | |
| Carbadox | 96201.44 | 1.00 | 492427.40 | |
| Carbomycin | 525199.56 | 257057.20 | 586777.50 | |
| Carisoprodol | 486394.69 | 308481.60 | 1259293.50 | |
| Carnitine | 9604523.62 | 5307215.30 | 5289713.90 | |
| Carumonam Esi+23.759 | 1.00 | 1.00 | 151809.40 | |
| Cefazolin | 74605.56 | 1.00 | 77612.70 | |
| Cer(d14:1(4E)/18:1(9Z)(2OH)) | 119172.25 | 204697.50 | 134225.70 | |
| Cer(d14:2(4E,6E)/18:0) | 1.00 | 1.00 | 682430.90 | |
| Cer(d16:1(4E)/24:0(2OH)) | 1.00 | 1.00 | 101880.30 | |
| Cer(d16:2(4E,6E)/20:1(11Z)) | 1.00 | 1.00 | 80217.20 | |
| Cer(d18:1/24:1(15Z)) | 1.00 | 532368.40 | 1790128.20 | |
| Cer(d18:1/24:1(15Z)) Esi+23.791 | 1.00 | 1.00 | 213776.50 | |
| Cer(d20:0/20:0) | 46440.38 | 1.00 | 442894.20 | |
| Cer(d20:0/20:0) 20.95133 | 33117.62 | 1.00 | 440874.30 | |
| Cer(t20:0/20:0) | 1.00 | 1.00 | 259366.90 | |
| Cer(t20:0/20:0) Esi+20.136732 | 42347.31 | 18655.40 | 43741.20 | |
| CGP72383 | 1.00 | 1.00 | 2870818.00 | |
| CGP72383 Esi+16.059002 | 1.00 | 1.00 | 39140.80 | |
| CGS 7181 | 1.00 | 1.00 | 146337.80 | |
| Chlorpromazine sulfone | 600911.56 | 719952.40 | 2212281.90 | |
| Chlorpropamide | 62962.81 | 1.00 | 224030.30 | |
| Chlorprothixene | 187222.88 | 1.00 | 295923.90 | |
| Cholest-5-ene | 1.00 | 1.00 | 97723.70 | |
| Chymostatin | 1.00 | 1.00 | 117014.00 | |
| Cinnamoside | 55882.12 | 143250.10 | 171714.00 | |
| Cinnamyl isobutyrate | 97774.12 | 1.00 | 391369.70 | |
| cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene | 1.00 | 1.00 | 578789.30 | |
| cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine... | 283529.31 | 1.00 | 137593.70 | |
| cis-Murisolinone | 185467.81 | 156316.80 | 407050.90 | |
| cis-(Z)-Flupenthixol | 1.00 | 1.00 | 455172.30 | |
| Citbismine E | 1.00 | 1.00 | 101820.80 | |
| Citrusin B | 1.00 | 1.00 | 2045847.20 | |
| Citrusin C | 43860.50 | 1.00 | 222224.50 | |
| Clausarinol | 451414.00 | 248191.90 | 465549.00 | |
| Clidinium | 1.00 | 1.00 | 250163.00 | |
| Clodinafop-propargyl | 90081.12 | 238131.80 | 395646.60 | |
| Clupanodonic acid Esi+16.412998 | 1.00 | 1.00 | 261354.50 | |
| Cobalt-precorrin 7 | 1.00 | 27503.50 | 53194.50 | |
| (?-Conen | 139892.44 | 1.00 | 262180.10 | |
| Correolide | 1.00 | 1.00 | 279056.90 | |
| Correolide Esi+6.584155 | 1.00 | 142859.20 | 193035.90 | |
| Cotarnine | 938420.81 | 1.00 | 1.00 | |
| Cucumerin A | 328555.06 | 1.00 | 208068.70 | |
| Curacin A | 910082.00 | 504233.00 | 918584.80 | |
| Cyanidin 3-(4-acetylglucoside) | 376295.88 | 229672.90 | 246878.20 | |
| Cyanofenphos | 1.00 | 1.00 | 174893.10 | |
| Cyanopeptolin S | 1.00 | 1.00 | 92513.40 | |
| Cybutryne | 52444.12 | 61595.40 | 94348.60 | |
| Cyclobrassinin | 92874.56 | 32370.20 | 182250.00 | |
| Cyclocalamin Esi+9.849999 | 1.00 | 1.00 | 448031.20 | |
| Cysteic acid | 221127.25 | 1.00 | 363034.80 | |
| D-1-Aminopropan-2-ol O-phosphate | 1.00 | 1.00 | 608065.00 | |
| D-4-Hydroxy-2-oxoglutarate | 1453494.88 | 636047.90 | 1577140.80 | |
| Dabigatran etexilate | 1.00 | 1.00 | 62454.80 | |
| D-Alanyl-(R)-lactate | 1.00 | 1.00 | 1157344.40 | |
| Dalpanol O-glucoside | 1.00 | 1.00 | 209382.60 | |
| Daphnetoxin | 70557.44 | 67595.50 | 117847.60 | |
| Deazaflavin | 17668026.50 | 36630000.00 | 1.00 | |
| Decoside | 1.00 | 1.00 | 410316.10 | |
| Dehydroxyoxitropium | 328371.31 | 258477.10 | 390407.60 | |
| Delcosine | 217884.19 | 1.00 | 601839.50 | |
| Delphinidin 3-arabinoside | 1.00 | 1.00 | 150693.70 | |
| Deltaline | 1.00 | 1.00 | 881926.30 | |
| Demethylcitalopram | 1.00 | 1.00 | 286317.80 | |
| Deoxyuridine triphosphate (dUTP) | 1.00 | 1.00 | 227485.90 | |
| Deoxyuridine triphosphate (dUTP) Esi+12.673999 | 1.00 | 1.00 | 101310.60 | |
| Deterrol | 329527.94 | 138010.00 | 547728.60 | |
| DG(12:0/12:0/0:0)[iso2] | 1.00 | 1.00 | 52609.10 | |
| DG(15:1(9Z)/18:1(9Z)/0:0)[iso2] | 1.00 | 1.00 | 749486.80 | |
| DG(19:1(9Z)/19:0/0:0)[iso2] | 1.00 | 1.00 | 228295.60 | |
| DG(19:1(9Z)/21:0/0:0)[iso2] | 281721.38 | 629735.30 | 721834.00 | |
| DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/0:0) | 1.00 | 1.00 | 908463.90 | |
| Dibenzothiophene | 1.00 | 1.00 | 1229479.70 | |
| Diclofop | 1.00 | 1.00 | 1611299.80 | |
| Diethyl phenyl phosphate | 1.00 | 3314483.40 | 10662512.60 | |
| Diethylstilbestryl disulfate | 1.00 | 1.00 | 109579.70 | |
| Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine | 1.00 | 1.00 | 128784.90 | |
| Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one | 540185.38 | 186914.80 | 242351.70 | |
| Dihydro-4,6-dimethyl-2-(1-methylethyl)-4H-1,3,5-dithiazine | 63100.31 | 1.00 | 45424.10 | |
| Dihydrocodeine-6-glucuronide | 2406400.62 | 1431356.30 | 1661692.40 | |
| Dihydroisolysergic acid II | 1.00 | 1.00 | 1077434.00 | |
| Dihydroneopterin phosphate | 196039.69 | 1.00 | 831948.50 | |
| Dihydrowyerol | 1.00 | 1.00 | 816943.70 | |
| Dihydroxymelphalan | 31646.69 | 83678.40 | 97801.60 | |
| Diisobutyl phthalate | 1.00 | 1.00 | 717869.50 | |
| Diltiazem | 1.00 | 1.00 | 2155285.60 | |
| Dimoracin | 1.00 | 1.00 | 246930.70 | |
| Dimoracin Esi+4.48 | 1.00 | 1.00 | 236591.10 | |
| Dinitrosopentamethylenetetramine | 1.00 | 6350000.70 | 13635273.40 | |
| Dinoterb | 306691.50 | 117479.80 | 262780.50 | |
| Dioctyl hexanedioate | 1.00 | 1.00 | 110419.80 | |
| Diosgenin 3-[glucosyl-(1-4)-[glucopyranosyl-(1-6)]-glucopyra... | 1.00 | 1.00 | 75471.00 | |
| DL-Cycloserine | 45531250.50 | 49250000.40 | 47096716.80 | |
| D-(-)-Lyxose | 700618.44 | 3227078.30 | 2486226.60 | |
| Docosanamide Esi+21.941946 | 9872.00 | 43865.80 | 42383.80 | |
| Dodecanoylcarnitine | 290200.00 | 393209.30 | 687399.90 | |
| Dodecylguanidine | 15487500.81 | 5694368.40 | 49940000.00 | |
| Donepezil | 1.00 | 1.00 | 863761.50 | |
| D-Pantetheine 4^-phosphate | 1.00 | 1.00 | 163318.50 | |
| dTDP-3,4-dioxo-2,6-dideoxy-L-glucose | 105678.62 | 96607.00 | 349236.80 | |
| dTDP-5-dimethyl-L-lyxose | 45787.06 | 1.00 | 59701.30 | |
| dXTP | 1.00 | 1.00 | 491878.60 | |
| E-64 | 120758.94 | 1.00 | 148052.70 | |
| (E)-Avenanthramide D | 1.00 | 1.00 | 263325.70 | |
| ecdysone palmitate | 58029.94 | 1.00 | 408235.30 | |
| (E,E)-1,7-Diphenyl-4,6-heptadien-3-ol | 1.00 | 70927.10 | 169510.80 | |
| (E,E)-4,4^^-Bi(N-4-hydroxycinnamoylserotonin) | 317705.81 | 170429.70 | 323845.00 | |
| (E,E)-4,4^^-Bi(N-4-hydroxycinnamoylserotonin) Esi+8.097638 | 206282.56 | 233702.80 | 230394.10 | |
| Endomorphin-1 | 230401.06 | 1.00 | 153574.60 | |
| Enkephalin L | 1.00 | 1.00 | 1115253.00 | |
| Enoximone sulfone | 376348.31 | 1.00 | 851678.10 | |
| Ephedrannin A | 1.00 | 1.00 | 82341.60 | |
| Epithienamycin F | 1.00 | 1.00 | 679935.10 | |
| Epivoacorine | 1.00 | 19011.40 | 58840.40 | |
| Ergosine | 586932.25 | 333938.70 | 672225.90 | |
| Eriocarpin | 107880.19 | 111380.30 | 218619.90 | |
| Eriojaposide B Esi+7.1006417 | 1520304.81 | 1.00 | 1895299.00 | |
| Ethambutol | 1.00 | 4623874.20 | 2746822.90 | |
| Ethion | 1.00 | 1.00 | 268368.70 | |
| Ethyl 2-phenyl-3-furancarboxylate | 1.00 | 220671.80 | 509524.30 | |
| Ethyl 4-phenylbutanoate | 522005.19 | 218837.70 | 275464.50 | |
| Ethyl hydrogen fumarate | 1.00 | 2415875.50 | 1337419.00 | |
| Euchretin C | 1.00 | 1.00 | 109424.70 | |
| Eugenin | 1729885.94 | 921301.90 | 1433277.30 | |
| Eupolauridine | 148825000.06 | 87410000.40 | 52219808.20 | |
| Fistuloside C | 1.00 | 82612.70 | 169678.10 | |
| Flavanone 7-O-[alpha-L-rhamnosyl-(1-2)-beta-D-glucoside] | 288171.75 | 105408.40 | 237129.30 | |
| Flonicamid | 1.00 | 187704.80 | 214573.60 | |
| Fludarabine phosphate | 1.00 | 1.00 | 388573.00 | |
| Fluocinolone | 123045.38 | 1.00 | 315881.20 | |
| Fluperlapine Esi+7.9648457 | 1.00 | 169270.30 | 330598.50 | |
| Foeniculoside VII | 1.00 | 1.00 | 69161.80 | |
| Formononetin 7-O-rutinoside | 329319.56 | 222849.00 | 212285.80 | |
| Fosaprepitant | 1.00 | 1.00 | 244954.00 | |
| Fosinopril | 527962.88 | 325783.10 | 757305.30 | |
| Frovatriptan | 1586133.56 | 1.00 | 1611690.20 | |
| Furaneol 4-(6-malonylglucoside) | 1.00 | 1.00 | 168694.20 | |
| Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-... | 1.00 | 1.00 | 158464.70 | |
| Gadoversetamide | 52861.44 | 1.00 | 157314.30 | |
| Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbet... | 1.00 | 1.00 | 761857.30 | |
| Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1... | 356991.50 | 345393.20 | 332481.70 | |
| Galalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbe... | 1.00 | 1.00 | 1980430.50 | |
| Galalpha1-3(GalNAcbeta1-4Galbeta1-4GlcNAcbeta1-6)Galbeta1-4G... | 1.00 | 1.00 | 866874.90 | |
| Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0) | 1.00 | 1.00 | 2299153.80 | |
| Gallopamil | 1.00 | 1.00 | 231427.20 | |
| Gambogic acid | 1.00 | 1.00 | 1088574.40 | |
| gamma-carboxyglutamic acid | 1147271.94 | 1062900.40 | 777928.40 | |
| Gamma-glutamyl-Cysteine | 86733.31 | 1.00 | 242829.30 | |
| Gamma-glutamyl-Glutamate | 184165.38 | 103975.50 | 136117.40 | |
| Gamma-glutamyl-Lysine | 1.00 | 120438.90 | 325158.00 | |
| Gamma-glutamyl-Valine | 7481144.69 | 5285514.50 | 7274147.00 | |
| Gamma-glutamyl-Valine Esi+4.473241 | 8532440.25 | 11440000.40 | 11259831.00 | |
| Gancaonin X | 1.00 | 202690.20 | 616109.60 | |
| Ganglioside GD3 (d18:1/25:0) | 1.00 | 1.00 | 702757.90 | |
| Genistein 7-O-glucuronide | 334755.44 | 351763.20 | 437724.70 | |
| Gentianadine | 5507919.44 | 21090000.00 | 15245285.30 | |
| Glabrin D | 1.00 | 1.00 | 68647.60 | |
| GlcCer(d16:1/18:0) | 1.00 | 2963252.00 | 3309896.10 | |
| GlcCer(d16:2(4E,6E)/20:0(2OH)) | 1.00 | 1.00 | 283986.60 | |
| GlcCer(d18:2/20:1) | 1.00 | 1.00 | 137307.50 | |
| Gln Cys Gln | 406720.44 | 248972.80 | 644711.60 | |
| Gln Gln Gln | 1.00 | 1.00 | 110761.70 | |
| Gln Gln Ile | 758800.06 | 1.00 | 855555.00 | |
| Gln Gln Ile Esi+5.5458946 | 663507.25 | 696364.40 | 904794.70 | |
| Gln Gln Tyr | 1.00 | 1.00 | 476190.20 | |
| Globomycin | 921505.19 | 1102830.20 | 1041119.60 | |
| Gluconapoleiferin | 107686.06 | 1.00 | 248780.00 | |
| Glucoscilliroside | 1.00 | 1.00 | 72294.80 | |
| Glucosylceramide (d18:1/16:0) | 3568551.88 | 4533796.00 | 4302343.40 | |
| Glu Glu Thr | 49516.25 | 1.00 | 123053.70 | |
| Glu His Ile | 1.00 | 1.00 | 120923.70 | |
| Glu His Trp | 1046470.06 | 1066456.70 | 555121.00 | |
| Glu-Val Esi+1.6894708 | 146552.88 | 489281.00 | 888867.60 | |
| Glu-Val Esi+1.697 | 234476.88 | 327029.60 | 640243.20 | |
| Gly-Asn-OH | 1321299.94 | 1.00 | 1459825.80 | |
| Gly-Asn-OH Esi+3.851565 | 830073.25 | 1451593.80 | 1460791.10 | |
| Gly-Asn-OH Esi+3.884 | 1.00 | 1.00 | 1513414.50 | |
| (?-Glycerol 1,2-diacetate | 1.00 | 165894.30 | 256565.20 | |
| Glycerol tribenzoate | 1.00 | 1.00 | 127723.20 | |
| Glycerol triundecanoate | 1.00 | 1.00 | 888056.10 | |
| Glycerol triundecanoate Esi+11.668 | 1.00 | 1.00 | 276798.10 | |
| Glycerol triundecanoate Esi+20.923616 | 1.00 | 303163.20 | 1034095.00 | |
| Glycogen | 1.00 | 1.00 | 68677.20 | |
| Gly Cys Pro | 276782.06 | 1.00 | 276872.60 | |
| Gly-Gly-OH | 115815.75 | 1.00 | 359814.20 | |
| Gly-Met-OH | 1.00 | 1.00 | 72685.70 | |
| Gly Val Pro | 187908.19 | 1.00 | 134582.70 | |
| Gnididin | 1.00 | 1.00 | 142602.50 | |
| Gniditrin | 744315.00 | 381804.90 | 658550.60 | |
| Gniditrin Esi+8.391802 | 413354.12 | 617599.80 | 486063.20 | |
| Gniditrin Esi+8.392601 | 90500.56 | 55687.90 | 91428.40 | |
| Goshonoside F5 | 49946.12 | 170852.50 | 200727.60 | |
| Goshonoside F6 Esi+10.003999 | 1.00 | 1.00 | 172277.90 | |
| Granisetron | 304902.00 | 1.00 | 485466.80 | |
| GYKI 52895 | 1281842.25 | 239233.00 | 415845.50 | |
| Herbacetin 7-(6^^-quinoylglucoside) | 1.00 | 1.00 | 338863.90 | |
| Herbacetin 8,4^-dixyloside | 183150.75 | 214387.10 | 240370.20 | |
| Herculin | 1548448.12 | 1255095.30 | 573191.30 | |
| Herculin 9.157333 | 72662.44 | 1.00 | 131613.30 | |
| Herculin Esi+8.03475 | 44581.88 | 1.00 | 220050.50 | |
| Herculin Esi+8.158999 | 1.00 | 1.00 | 341477.60 | |
| Hexadecyl ferulate | 731294.62 | 880613.50 | 826880.90 | |
| Hibiscitrin Esi+5.9015 | 1.00 | 120874.20 | 255357.40 | |
| His Ile Gln | 107740.19 | 97222.90 | 253994.90 | |
| Hordatine A glucoside | 1.00 | 54440.70 | 100181.90 | |
| Hordatine B | 1.00 | 1.00 | 1444307.80 | |
| Hordatine B Esi+16.057001 | 1.00 | 1.00 | 152322.80 | |
| Hovenidulcigenin A | 1.00 | 1.00 | 485456.70 | |
| Hydrazinopthalazinone | 2172846.19 | 1506377.40 | 1.00 | |
| Hydroxydoxepin M1-glucuronide | 24960.50 | 1.00 | 66554.50 | |
| ibopamine | 1.00 | 1.00 | 308100.50 | |
| Icilin | 1.00 | 1.00 | 165712.10 | |
| Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5... | 1.00 | 1.00 | 189168.10 | |
| Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5... | 594005.25 | 739442.70 | 606949.40 | |
| Ikarisoside F | 1.00 | 1.00 | 144041.80 | |
| Ile Arg Gln | 1.00 | 1.00 | 252329.90 | |
| Ile Arg Gln Esi+0.982 | 1.00 | 1.00 | 141151.30 | |
| Ile Cys His | 12291.00 | 1.00 | 121443.60 | |
| Ile Gln | 3287500.81 | 1.00 | 1042919.20 | |
| Ile Gln Cys | 468547.62 | 148823.50 | 204851.30 | |
| Ile Val Gly | 255910.44 | 517210.60 | 939428.30 | |
| Ile Val Gly Esi+0.85999995 | 1.00 | 753069.50 | 881385.00 | |
| Ile Val Gly Esi+7.5703855 | 158876.81 | 1.00 | 418279.00 | |
| Imide | 729465.69 | 1.00 | 563117.60 | |
| Isoamericanol A | 1.00 | 1.00 | 198770.40 | |
| Isobutyrylmallotochromene | 1299145.25 | 1172502.40 | 603066.10 | |
| Isomigrastatin | 2150010.69 | 1861417.00 | 1344620.70 | |
| Isopenicillin N | 215850.00 | 1.00 | 409442.40 | |
| Isopeonidin 3-glucoside | 86711.00 | 1.00 | 210918.70 | |
| Isosalsolidine | 348873.12 | 200199.80 | 360298.10 | |
| Isothipendyl | 1.00 | 1.00 | 112277.60 | |
| Jamaicamide C | 1.00 | 1.00 | 160043.20 | |
| Jasplakinolide | 174689.12 | 148826.20 | 305511.50 | |
| Kaempferol 3-(3^^-acetyl-6^^-p-coumaroylglucoside) | 796986.25 | 1013587.90 | 760427.80 | |
| Kanamycin A 3^-phosphate | 1.00 | 1.00 | 402869.70 | |
| Kanzonol K | 2648410.06 | 2173390.70 | 2130626.70 | |
| Kinetin-9-N-glucoside | 249716.50 | 1.00 | 862717.80 | |
| Koryoginsenoside R1 | 1.00 | 1.00 | 2009820.00 | |
| Kurilensoside G | 1.00 | 1.00 | 5061898.80 | |
| Kuwanon R | 1.00 | 1.00 | 88382.10 | |
| Kuwanon R Esi+8.39237 | 173624.25 | 176138.10 | 155443.10 | |
| L-365260 | 27506.75 | 1.00 | 73216.40 | |
| Lancerin | 1.00 | 1.00 | 237839.80 | |
| Lappaol C | 1.00 | 1.00 | 449448.50 | |
| Lappaol C Esi+6.988 | 1.00 | 1.00 | 263824.30 | |
| L-Arginine phosphate | 2424350.69 | 1.00 | 1492036.80 | |
| Latanoprost (free acid)-d4 | 1.00 | 1.00 | 532018.90 | |
| Leflunomide | 65344.12 | 35769.10 | 87736.50 | |
| Leonuridine | 2852026.56 | 1.00 | 1564575.30 | |
| Leonuridine Esi+5.2288094 | 3062367.12 | 1.00 | 1468557.80 | |
| Leucyl-Isoleucine | 28478.44 | 90837.90 | 58635.10 | |
| Leu Ile Gln | 182049.56 | 1.00 | 50918.40 | |
| L-gamma-Glutamyl-beta-phenyl-beta-L-alanine | 95911.25 | 1.00 | 152308.30 | |
| L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid | 10987500.62 | 8800000.70 | 5490000.70 | |
| L-Homoserine lactone | 83901.31 | 616671.30 | 428220.00 | |
| L-Nicotianine | 77043.69 | 235446.40 | 483418.50 | |
| Longistylin C | 310605.31 | 79892.90 | 283504.90 | |
| Loxtidine | 1.00 | 1.00 | 158005.80 | |
| Lycoctonine | 1.00 | 1.00 | 182723.90 | |
| Lycodine | 1.00 | 1.00 | 82554.80 | |
| Lymecycline | 893062.56 | 819345.90 | 933383.90 | |
| Lymecycline Esi+8.240849 | 810502.56 | 733813.20 | 669009.00 | |
| Lynestrenol | 1.00 | 1.00 | 495566.10 | |
| Lys Asn Ser | 1.00 | 55418.40 | 139735.20 | |
| Lys Asn Ser Esi+7.340061 | 61323.88 | 60819.10 | 156928.00 | |
| Lys Leu Arg | 22143.56 | 1.00 | 143159.90 | |
| LysoPC(20:4(8Z,11Z,14Z,17Z)) Esi+13.997999 | 1.00 | 1.00 | 24630000.00 | |
| LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 1.00 | 1.00 | 47550000.00 | |
| LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) | 1.00 | 1.00 | 498499.70 | |
| LysoPE(24:1(15Z)/0:0) | 1.00 | 1.00 | 346531.50 | |
| Lys Thr Gln | 1572748.00 | 1.00 | 1771123.60 | |
| Lys Val Trp | 1.00 | 1.00 | 521117.50 | |
| Lysyl-Leucine | 1.00 | 296215.70 | 322057.20 | |
| Lysyl-Leucine Esi+5.0880003 | 1.00 | 1.00 | 434227.10 | |
| Lysyl-Leucine Esi+6.833 | 1.00 | 1.00 | 256280.10 | |
| Magnesium protoporphyrin monomethyl ester | 497347.88 | 1.00 | 650439.10 | |
| Malyngamide L | 251447.81 | 268904.10 | 168116.50 | |
| Mammea B/AC | 279929.69 | 183454.30 | 388921.20 | |
| Mangostanol | 1.00 | 1.00 | 407540.80 | |
| Mangostenol | 1.00 | 1.00 | 390098.60 | |
| Marmesin rutinoside Esi+7.7258463 | 44904.50 | 1.00 | 107228.40 | |
| Matsutakeside I | 104993.62 | 1.00 | 333675.20 | |
| MDL 74156 glucuronide | 1.00 | 1.00 | 381282.30 | |
| Mebrofenin | 1.00 | 1.00 | 379719.60 | |
| Mebrofenin Esi+4.441308 | 48942.31 | 1.00 | 139830.70 | |
| Medicagenic acid beta-maltoside | 154707.69 | 46790.70 | 189380.50 | |
| Medicoside I | 1.00 | 1.00 | 6925483.90 | |
| Mefenacet | 3490505.19 | 2005023.20 | 2612871.70 | |
| Melamine | 1.00 | 1.00 | 555432.60 | |
| Meta-Tyrosine | 1.00 | 9381286.50 | 3586416.70 | |
| Methandriol dipropionate | 1.00 | 63014.00 | 103163.90 | |
| Metharbital | 1.00 | 533760.00 | 608152.20 | |
| Methyl 1-methoxy-1H-indole-3-carboxylate | 1.00 | 2410178.70 | 3168799.50 | |
| Methylnitrosourea | 297101.25 | 133038.10 | 1152042.80 | |
| Met Lys His | 1472591.06 | 585358.20 | 1067866.20 | |
| Met Trp Met | 1.00 | 1.00 | 232608.80 | |
| Met-Tyr-OH Esi+7.1282134 | 70026.88 | 1.00 | 102327.10 | |
| (?-Mevalonic acid 5-phosphate | 1679420.81 | 946742.60 | 1330249.50 | |
| Microcystin YR | 1.00 | 1.00 | 121581.80 | |
| Mirasan | 1.00 | 1.00 | 3360203.70 | |
| Mirasan Esi+0.8560001 | 1.00 | 2214599.40 | 3423777.80 | |
| Miraxanthin-III | 1.00 | 30063.10 | 66078.80 | |
| Monobenzone | 168733.38 | 1.00 | 242107.20 | |
| Moricizine sulfone | 133344.00 | 1.00 | 67421.40 | |
| m-Trifluoromethylhippuric acid | 147176.69 | 1.00 | 300318.10 | |
| m-Trifluoromethylhippuric acid Esi+11.165693 | 64015.25 | 1.00 | 149750.70 | |
| Muricatacin | 1.00 | 1.00 | 202276.00 | |
| Musabalbisiane C | 940576.75 | 1162763.30 | 1291972.80 | |
| Mycinamicin VII | 1.00 | 1.00 | 4649649.00 | |
| Myxochelin A | 1.00 | 1.00 | 258624.50 | |
| Myxothiazol Z | 175494.69 | 104561.00 | 170178.50 | |
| N-(1-Deoxy-1-fructosyl)isoleucine | 1.00 | 264966.10 | 390806.10 | |
| N-(1-Deoxy-1-fructosyl)phenylalanine | 237742.75 | 545750.60 | 647827.00 | |
| N1,N5,N10-Tricoumaroyl spermidine | 1.00 | 1.00 | 584860.40 | |
| N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine | 1.00 | 1.00 | 1079145.00 | |
| N2-Acetyl-L-aminoadipyl-?-phosphate | 302803.50 | 1190857.60 | 2366613.10 | |
| N-(2-hydroxyethyl)henicosanamide | 1.00 | 1.00 | 341788.20 | |
| N3^-Acetylapramycin | 1.00 | 1.00 | 1542883.10 | |
| N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine | 1.00 | 1.00 | 292892.80 | |
| N5-Hexanoylspermidine | 497902.56 | 283696.40 | 2883877.60 | |
| N(6)-(Octanoyl)lysine | 43875.12 | 1.00 | 59927.50 | |
| N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-... | 143634.50 | 190370.40 | 382297.70 | |
| N-Acetylgalactosaminyl lactose | 1.00 | 1.00 | 475119.90 | |
| N-Acetyl-O-demethylpuromycin | 1.00 | 1.00 | 936702.00 | |
| N-Acetyl-O-demethylpuromycin Esi+23.762783 | 35849.88 | 206983.40 | 194942.20 | |
| N-Acetylprimaquine | 1.00 | 1.00 | 1537863.10 | |
| Naloxol | 678971.44 | 373047.30 | 640808.30 | |
| Naloxol Esi+5.1059046 | 427209.81 | 134709.40 | 581195.90 | |
| N(alpha)-t-Butoxycarbonyl-L-leucine | 1961377.69 | 1073784.70 | 1831099.30 | |
| Naphazoline | 69256.00 | 47434.10 | 97650.50 | |
| N-arachidonoyl histidine | 296751.38 | 1.00 | 571217.90 | |
| Navenone B | 318374.12 | 107476.60 | 1.00 | |
| N-Carbamoyl-2-amino-2-(4-hydroxyphenyl)acetic acid | 1.00 | 1.00 | 317870.60 | |
| N-Desmethylaminopyrine | 964849.94 | 1.00 | 6911238.50 | |
| N-Didesethylquinagolide glucuronide | 1.00 | 1.00 | 304476.00 | |
| N-dodecanoyl-L-Homoserine lactone-3-hydrazone-fluorescein | 27811.56 | 42923.10 | 82424.40 | |
| Neoarctin B | 1.00 | 1.00 | 70068.00 | |
| Neolinustatin | 1.00 | 1.00 | 110616.50 | |
| Nervonoylacetone | 564956.44 | 207488.40 | 724800.60 | |
| NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d1... | 1.00 | 1.00 | 860141.50 | |
| N-Hexadecanoylpyrrolidine | 224516.81 | 63759.10 | 195831.80 | |
| N-Hydroxyl-tryptamine Esi+0.9645001 | 793702.81 | 1.00 | 4335205.20 | |
| N-Hydroxy-L-tryptophan | 123937.50 | 1.00 | 305006.80 | |
| Nicotine glucuronide | 166758.50 | 1.00 | 729998.40 | |
| Nimesulide | 1.00 | 1.00 | 383587.70 | |
| N,N-diisopropyl-3-nitrobenzamide | 185083.00 | 148289.90 | 481446.80 | |
| N,N-Diisopropyltryptamine | 1.00 | 1.00 | 92349.00 | |
| N-Nitrosopyrrolidine | 1.00 | 549962.00 | 480358.70 | |
| N-Nitrosothiazolidine-4-carboxylic acid | 21475000.19 | 21863238.10 | 5042421.40 | |
| N,O-Didesmethylverapamil | 1.00 | 1.00 | 207901.90 | |
| Nonacosanoic acid | 1.00 | 1.00 | 1079975.90 | |
| Norchelerythrine | 328578.69 | 131074.90 | 272536.10 | |
| N-Ornithyl-L-taurine | 713906.44 | 1.00 | 1868947.70 | |
| N-Ornithyl-L-taurine Esi+1.9869998 | 1.00 | 1.00 | 1691749.70 | |
| nor-NOHA | 3183313.31 | 7252015.60 | 14450408.60 | |
| nor-NOHA Esi+0.96038467 | 1.00 | 2639736.00 | 4256191.80 | |
| Norselic acid A | 2038369.62 | 365293.00 | 444847.80 | |
| Nostopeptolide A2 | 1.00 | 1.00 | 11573055.90 | |
| N-palmitoyl serine | 64941.38 | 1.00 | 150995.40 | |
| N-palmitoyl threonine | 1.00 | 1.00 | 97698.70 | |
| N-stearoyl alanine | 1.00 | 1.00 | 241271.80 | |
| N-stearoyl glutamic acid Esi+16.438997 | 1.00 | 1.00 | 69421.80 | |
| N-stearoyl valine | 1.00 | 1.00 | 176788.90 | |
| Oleoyl Ethanolamide | 1.00 | 1.00 | 57509.50 | |
| Omphalotin B | 1.00 | 1.00 | 318409.40 | |
| Ondansetron | 173740.06 | 1.00 | 227257.40 | |
| Oryzalic acid B Esi+11.344602 | 1.00 | 42433.10 | 100774.80 | |
| Oxfendazole | 506926.25 | 1.00 | 917869.10 | |
| PA(12:0/14:0) | 464598.25 | 1275350.40 | 1757448.40 | |
| PA(17:1(9Z)/0:0) | 1.00 | 1.00 | 71888.60 | |
| PA(22:2(13Z,16Z)/22:0) | 65360.94 | 1.00 | 326815.80 | |
| PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z)) | 240846.62 | 217853.30 | 600884.90 | |
| Palmitic acid(d3) | 1.00 | 1.00 | 116005.60 | |
| (?-Pandamarine | 1.00 | 1.00 | 112638.40 | |
| PA(P-16:0/18:4(6Z,9Z,12Z,15Z)) | 320042.56 | 382522.40 | 1085690.80 | |
| PA(P-16:0/20:4(5Z,8Z,11Z,14Z)) | 742729.75 | 1301179.50 | 4213186.70 | |
| PA(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 1.00 | 1.00 | 798692.40 | |
| PA(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+24.468746 | 119896.50 | 237560.00 | 849484.90 | |
| Patientoside A | 1.00 | 1.00 | 61667.30 | |
| Patuletin 3,3^-di-O-sulfate | 50996.06 | 1.00 | 79144.60 | |
| PC(13:0/0:0)[U] | 1.00 | 1.00 | 3549489.80 | |
| PC(15:1(9Z)/0:0) | 1.00 | 1.00 | 3148057.90 | |
| PC(16:0/O-1:0) | 1.00 | 1.00 | 2652754.40 | |
| PC(16:0/O-1:0) Esi+15.502001 | 1.00 | 1.00 | 2286623.40 | |
| PC(16:1(9Z)/2:0) | 1.00 | 1.00 | 439417.20 | |
| PC(18:0/18:2(9Z,12Z)) | 1.00 | 1.00 | 1365928.00 | |
| PC(18:4(6Z,9Z,12Z,15Z)/0:0) | 1.00 | 1.00 | 17843247.60 | |
| PC(19:1(9Z)/17:2(9Z,12Z)) | 1.00 | 1.00 | 1092708.60 | |
| PC(2:0/2:0)[U] | 189928.94 | 1.00 | 118063.40 | |
| PC(20:3(8Z,11Z,14Z)/0:0) Esi+14.643999 | 1.00 | 1.00 | 10799404.00 | |
| PC(22:1(11Z)/12:0) | 1.00 | 1.00 | 1490782.40 | |
| PC(22:1(11Z)/12:0) Esi+23.964003 | 1.00 | 1.00 | 2309210.70 | |
| PC(22:1(11Z)/14:0) | 1.00 | 1.00 | 582636.30 | |
| PC(22:1(11Z)/16:0) | 1.00 | 1.00 | 259953.60 | |
| PC(22:1(11Z)/18:0) | 418628.25 | 1.00 | 932813.60 | |
| PC(22:1(11Z)/19:0) | 132442.88 | 1.00 | 481973.60 | |
| PC(22:2(13Z,16Z)/12:0) | 1972344.31 | 2514389.40 | 2257174.00 | |
| PC(22:4(7Z,10Z,13Z,16Z)/0:0) | 1.00 | 1.00 | 1866264.90 | |
| PC(22:4(7Z,10Z,13Z,16Z)/12:0) | 1.00 | 1.00 | 366129.70 | |
| PC(22:4(7Z,10Z,13Z,16Z)/14:0) | 1.00 | 1.00 | 10676668.90 | |
| PC(22:4(7Z,10Z,13Z,16Z)/15:1(9Z)) | 1.00 | 1.00 | 492900.90 | |
| PC(22:4(7Z,10Z,13Z,16Z)/15:1(9Z)) Esi+23.641003 | 1.00 | 1.00 | 350028.20 | |
| PC(22:4(7Z,10Z,13Z,16Z)/15:1(9Z)) Esi+23.957 | 1.00 | 1.00 | 690508.70 | |
| PC(22:4(7Z,10Z,13Z,16Z)/16:0) | 1.00 | 1.00 | 2284156.80 | |
| PC(22:4(7Z,10Z,13Z,16Z)/16:0) Esi+23.632002 | 1.00 | 1.00 | 2121896.50 | |
| PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:0) | 4550000.81 | 14145420.90 | 13998131.60 | |
| PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) | 1.00 | 1.00 | 10993789.50 | |
| PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) Esi+23.729998 | 1.00 | 1.00 | 11504337.30 | |
| PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) Esi+23.916 | 1.00 | 1.00 | 10253154.30 | |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) | 1.00 | 1.00 | 7445168.70 | |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) | 1.00 | 1.00 | 2370313.00 | |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) | 2073382.06 | 5560000.60 | 5034023.00 | |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+23.722 | 1.00 | 1.00 | 6365088.80 | |
| PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+23.727001 | 1.00 | 1.00 | 8844729.80 | |
| PC(24:0/22:0) | 1.00 | 292890.70 | 653014.10 | |
| PC(7:0/O-8:0) | 1.00 | 1.00 | 3308601.30 | |
| PC(8:0/5:0)[U] | 1.00 | 1.00 | 1094486.80 | |
| PC(8:0/7:0)[U] | 1.00 | 1.00 | 64440000.00 | |
| PC(9:0/14:0)[U] | 1.00 | 1.00 | 204562.50 | |
| p-Chloroacetoacetanilide | 108068.06 | 1.00 | 185163.00 | |
| PC(O-12:0/0:0)[U] | 1.00 | 1.00 | 469955.70 | |
| PC(O-12:0/O-1:0)[U] | 1.00 | 1.00 | 61188.40 | |
| PC(O-16:0/0:0)[U] | 1.00 | 1.00 | 5276613.50 | |
| PC(O-16:1(9Z)/0:0) | 1.00 | 1.00 | 935497.10 | |
| PC(O-18:1(9Z)/0:0) | 1.00 | 1.00 | 8312285.20 | |
| PC(O-18:2(9Z,12Z)/22:0) | 1.00 | 1.00 | 483835.80 | |
| p-Coumaroylputrescine | 1.00 | 1.00 | 110678.60 | |
| PC(P-17:0/0:0) | 106863.38 | 78072.40 | 123230.30 | |
| PC(P-18:0/17:2(9Z,12Z)) | 1.00 | 1.00 | 2373438.20 | |
| PC(P-18:1(9Z)/0:0) | 1.00 | 1.00 | 156711.90 | |
| p-Cresol | 1.00 | 1.00 | 1754688.10 | |
| PD 166326 | 113694.75 | 140933.40 | 120034.70 | |
| PE(12:0/18:1(9Z)) | 78490.94 | 221186.90 | 194705.00 | |
| PE(14:0/12:0) | 1.00 | 1.00 | 9161395.40 | |
| PE(15:0/22:1(13Z)) | 1.00 | 1.00 | 2175421.70 | |
| PE(15:0/24:1(15Z)) | 1.00 | 1.00 | 3043660.60 | |
| PE(16:0/18:1(13Z))[U] | 397090.75 | 382541.50 | 377492.50 | |
| PE(16:1(9Z)/15:1(9Z)) | 1.00 | 24151.60 | 191848.80 | |
| PE(17:0/20:4(5Z,8Z,11Z,14Z)) | 1.00 | 1.00 | 419189.50 | |
| PE(17:0/22:2(13Z,16Z)) Esi+23.97263 | 211094.75 | 3593757.40 | 7504775.20 | |
| PE(17:0/22:2(13Z,16Z)) Esi+24.716002 | 1.00 | 1.00 | 1933496.00 | |
| PE(17:1(9Z)/22:2(13Z,16Z)) | 1.00 | 1.00 | 6138412.20 | |
| PE(17:1(9Z)/22:4(7Z,10Z,13Z,16Z)) | 3278754.44 | 1.00 | 13496021.10 | |
| PE(19:1(9Z)/22:2(13Z,16Z)) | 1.00 | 1.00 | 1885120.20 | |
| PE(20:1(11Z)/15:0) | 1.00 | 124420.20 | 279143.80 | |
| PE(20:2(11Z,14Z)/13:0) | 1.00 | 1.00 | 526614.60 | |
| PE(20:3(8Z,11Z,14Z)/0:0) | 1.00 | 1.00 | 977859.50 | |
| PE(22:1(11Z)/22:0) | 3160177.75 | 2956426.40 | 2769482.60 | |
| PE(22:2(13Z,16Z)/16:1(9Z)) | 1.00 | 1.00 | 304348.40 | |
| PE(22:4(7Z,10Z,13Z,16Z)/19:1(9Z)) | 1.00 | 1.00 | 3741497.30 | |
| PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) | 1.00 | 1.00 | 9305548.80 | |
| PE-Cer(d16:1(4E)/19:0) | 1.00 | 1.00 | 72528.20 | |
| PE-Cer(d16:2(4E,6E)/18:0) | 1.00 | 1.00 | 365153.60 | |
| Penconazole | 1.00 | 57269.00 | 166488.50 | |
| Penicillenic acid | 10944041.69 | 4907775.60 | 6550617.40 | |
| PE-NMe(18:1(9E)/18:1(9E)) | 1.00 | 1.00 | 1952569.40 | |
| PE-NMe(18:1(9E)/18:1(9E)) Esi+23.971703 | 4786502.25 | 9529653.80 | 9238059.70 | |
| pentanamide | 546962.38 | 1401454.90 | 446292.50 | |
| Peonidin-3-galactoside | 1.00 | 1.00 | 225105.20 | |
| PE(P-19:1(12Z)/0:0) | 1.00 | 1.00 | 345284.20 | |
| PE(P-19:1(12Z)/0:0) Esi+14.928999 | 1.00 | 1.00 | 349296.70 | |
| PE(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z)) | 1.00 | 1.00 | 1377945.40 | |
| Periandrin III | 1016707.69 | 819518.50 | 1002749.00 | |
| Petunidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-trans-p... | 1.00 | 1.00 | 119695.20 | |
| PF-3845 | 1.00 | 1.00 | 63617.70 | |
| PF-622 | 982406.88 | 159313.50 | 713560.10 | |
| PG(14:0/18:2(9Z,12Z)) | 404859.62 | 361970.80 | 338282.60 | |
| PG(16:0/17:1(9Z)) | 1.00 | 1.00 | 524372.60 | |
| PG(17:0/0:0) | 1.00 | 1.00 | 447869.40 | |
| PG(6:0/6:0) | 1310895.44 | 493742.80 | 805519.60 | |
| PG(6:0/6:0) Esi+6.6789565 | 733678.19 | 1.00 | 558926.30 | |
| PGE1-EA | 1.00 | 1.00 | 3999165.10 | |
| PG(O-16:0/12:0) | 121687.56 | 241851.50 | 260897.40 | |
| PG(P-18:0/14:1(9Z)) | 307774.50 | 466615.10 | 1180334.20 | |
| Phaclofen | 609562.38 | 1.00 | 1300483.30 | |
| Phaclofen Esi+1.7938461 | 1.00 | 666387.70 | 772234.40 | |
| Phe Arg Arg | 1.00 | 1.00 | 6837602.00 | |
| Phencyclidine | 3574595.31 | 1420813.70 | 1505479.70 | |
| Phenothrin | 1.00 | 1.00 | 47180.60 | |
| Phenylacetylglycine dimethylamide | 1.00 | 1.00 | 229423.50 | |
| Phenylmercuric Acetate | 1.00 | 241795.80 | 238456.60 | |
| Phe Phe Phe | 1.00 | 1.00 | 268594.50 | |
| Phlegmarine | 1.00 | 1.00 | 230523.80 | |
| Phlegmarine Esi+11.069538 | 94072.81 | 1.00 | 160993.70 | |
| Phosphocreatine | 1.00 | 1.00 | 129725.10 | |
| Phosphoguanidinoacetate | 130882.25 | 1.00 | 219763.90 | |
| Physalin K | 1.00 | 130870.80 | 156513.20 | |
| PI(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) | 119595.81 | 1.00 | 105309.20 | |
| PI(22:2(13Z,16Z)/18:1(9Z)) | 84197.50 | 144099.90 | 483801.60 | |
| PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)) | 291266.88 | 170164.70 | 694744.00 | |
| PI(P-16:0/13:0) | 1.00 | 1.00 | 483651.20 | |
| PIP2(16:0/22:5(4Z,7Z,10Z,13Z,16Z)) | 69542.06 | 1.00 | 210955.80 | |
| Pipotiazine | 1.00 | 1.00 | 72225.80 | |
| Pirbuterol | 486919.12 | 1.00 | 1.00 | |
| Piretanide glucuronide | 1.00 | 1.00 | 107968.20 | |
| Pisumsaponin I | 1.00 | 1.00 | 2626149.10 | |
| Pizotyline-N-glucuronide | 1.00 | 110625.80 | 143286.20 | |
| Polidocanol | 1.00 | 1.00 | 263849.50 | |
| Polidocanol Esi+16.905 | 1.00 | 1.00 | 41329.50 | |
| Polyethylene, oxidized | 1.00 | 1.00 | 1901935.50 | |
| Polyethylene, oxidized Esi+1.231154 | 520458.31 | 1.00 | 1518070.30 | |
| Polyfungin B (Nystatin A1, 10-deoxy-35-O-(2,6-dideoxy-L-ribo... | 50893.94 | 1.00 | 159683.30 | |
| Portulacaxanthin III | 312523.31 | 156102.60 | 300564.50 | |
| p,p^-Methoxychlor olefin | 1.00 | 1.00 | 340810.70 | |
| Precorrin 2 | 218010.56 | 1.00 | 391869.50 | |
| Precorrin 4 | 1.00 | 1.00 | 370531.00 | |
| Precorrin 4 Esi+24.101 | 1.00 | 1.00 | 55053.10 | |
| Precorrin 4 Esi+6.995 | 1.00 | 1.00 | 321690.00 | |
| Prenyl-L-cysteine | 1.00 | 1.00 | 173541.80 | |
| Pro Cys Trp | 1.00 | 1.00 | 279536.70 | |
| Pro Gln His | 1.00 | 1.00 | 90405.50 | |
| Prolyl-Lysine | 1509462.44 | 520013.00 | 1533454.30 | |
| Pro Pro | 209378.25 | 65987.30 | 155507.40 | |
| Pro Pro Asn | 525685.00 | 1.00 | 491292.60 | |
| Pro Pro Asn Esi+5.2009997 | 324975.19 | 1.00 | 352496.40 | |
| Pro Pro Asn Esi+5.2347775 | 846067.81 | 1.00 | 453082.40 | |
| Pro Pro Val | 1.00 | 1.00 | 264749.30 | |
| Prostaglandin D2-d9 | 383105.94 | 754639.10 | 909273.50 | |
| Prostalidin A | 32756.44 | 13004.30 | 121205.10 | |
| Pro Tyr Val | 1.00 | 1.00 | 335724.00 | |
| Prupaside | 1772555.19 | 1560226.60 | 735035.50 | |
| PS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) | 487236.31 | 488483.90 | 1111421.30 | |
| PS(22:0/22:0) | 46678.19 | 1.00 | 150231.70 | |
| PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0) | 1.00 | 1.00 | 3222744.60 | |
| PS(O-16:0/12:0) | 1.00 | 1.00 | 39261.60 | |
| Ptelatoside A | 86113.38 | 85172.40 | 99319.50 | |
| Pyrantel | 3986348.94 | 7762997.80 | 4310405.30 | |
| Pyrazinemethanethiol Esi+15.861362 | 330946.06 | 418020.60 | 1.00 | |
| Pyro-L-glutaminyl-L-glutamine | 1.00 | 1.00 | 2008394.00 | |
| Pyro-L-glutaminyl-L-glutamine Esi+0.7897499 | 6401614.19 | 6968747.30 | 4501806.50 | |
| Quasiprotopanaxatriol | 43812.75 | 82656.60 | 117794.50 | |
| (+)-Quebrachidine | 330744.75 | 748403.60 | 467286.20 | |
| Quercetin 3-rhamnoside-3^-sulfate | 648718.06 | 294697.00 | 496666.20 | |
| Quinoline yellow | 143086.38 | 1.00 | 140404.60 | |
| QYNAD | 1.00 | 1.00 | 355450.40 | |
| (R)-(+)-2-Pyrrolidone-5-carboxylic acid | 1.00 | 1289719.40 | 1717952.00 | |
| (R)-(+)-2-Pyrrolidone-5-carboxylic acid Esi+0.8976667 | 1324584.50 | 1.00 | 1571278.40 | |
| (R)-6^-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin | 1.00 | 1.00 | 164048.70 | |
| Randilongin | 337410.12 | 293813.40 | 309199.80 | |
| Rhizocticin B | 1337257.81 | 476709.10 | 759218.80 | |
| Rifamycin Z | 1.00 | 1.00 | 231144.20 | |
| R-ipsdienol | 1.00 | 1445887.80 | 3180466.70 | |
| Ritipenem acoxil Esi+3.22755 | 257088.50 | 360151.30 | 134371.70 | |
| Roxatidine acetate | 148798.38 | 1.00 | 106411.40 | |
| (R)-Stearoylcarnitine | 1.00 | 1.00 | 2290817.70 | |
| Ruscopine | 39890.31 | 1.00 | 185859.60 | |
| (S1)-Methoxy-3-heptanethiol | 3776114.94 | 2777308.00 | 2893505.70 | |
| (S1)-Methoxy-3-heptanethiol Esi+0.777 | 1.00 | 1.00 | 230380.50 | |
| S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate | 137972.38 | 1.00 | 265577.90 | |
| S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate Esi+11.038077 | 66568.00 | 1.00 | 82803.90 | |
| S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate Esi+4.862929 | 134691.56 | 1.00 | 261370.60 | |
| (S)-3-Methylthiohexyl butyrate | 1.00 | 456760.00 | 1055932.80 | |
| (S)-alpha-Amino-4-carboxy-3-furanpropanoic acid | 1.00 | 43140.50 | 329632.70 | |
| Saphenic acid methyl ester | 15958.44 | 72223.80 | 132212.20 | |
| Sarmentoside B | 214661.69 | 1.00 | 438834.40 | |
| Sarothralin | 1.00 | 1.00 | 50597.70 | |
| Saxitoxin | 681803.38 | 731390.90 | 937583.90 | |
| Schleicherastatin 5 | 1095850.19 | 686314.60 | 823544.20 | |
| Schleicherastatin 5 Esi+21.798998 | 1.00 | 1.00 | 742343.90 | |
| Schleicherastatin 5 Esi+21.802217 | 1091544.06 | 297418.70 | 819908.60 | |
| Schleicherastatin 5 Esi+22.60823 | 353116.88 | 336062.10 | 733993.30 | |
| Scutianine F | 407493.88 | 203544.50 | 506355.30 | |
| Secobarbital | 1935074.75 | 2048576.20 | 1461881.60 | |
| Selenocysteine | 56288.81 | 1.00 | 204492.10 | |
| Ser Arg Arg | 1.00 | 1.00 | 155399.40 | |
| Ser Gln Gln | 428345.94 | 373389.20 | 633730.10 | |
| Sildenafil | 182213.62 | 176848.70 | 222729.10 | |
| Simulanoquinoline | 43543.56 | 1.00 | 102155.80 | |
| (S)-N-Methylcanadine | 109692.69 | 1.00 | 351373.10 | |
| Sophorapterocarpan A | 1.00 | 1.00 | 351925.80 | |
| Sorafenib | 1.00 | 195283.10 | 421744.40 | |
| Soyasaponin aa | 1.00 | 1.00 | 659443.70 | |
| Soyasaponin aa Esi+13.734999 | 1.00 | 1.00 | 444154.90 | |
| Sparfloxacin | 2283596.62 | 1605399.30 | 2019532.20 | |
| Spectinomycin adenylate | 379868.06 | 696308.80 | 1.00 | |
| Sphingofungin B | 365617.06 | 1.00 | 486069.00 | |
| Sphingofungin B Esi+11.181333 | 85461.94 | 1.00 | 198095.00 | |
| Spisulosine | 1.00 | 1.00 | 210778.30 | |
| S,S-Dimethyl-beta-propiothetin | 16700000.50 | 17550000.30 | 1.00 | |
| Starch acetate | 80126.31 | 95150.60 | 161501.20 | |
| Stepronin | 18372.25 | 38436.10 | 117871.60 | |
| Succinic anhydride | 141526.88 | 341105.60 | 581263.70 | |
| Sulfadimethoxine | 15835.81 | 1.00 | 77782.40 | |
| Sulfamerazine | 7692144.62 | 5810000.60 | 7677415.90 | |
| Sulfamerazine Esi+1.8299232 | 3331250.81 | 1.00 | 12533214.00 | |
| Sulfamoxole Esi+4.4203005 | 375547.81 | 351713.00 | 531585.30 | |
| Sultopride | 125867.62 | 1.00 | 273377.20 | |
| (+)-Syringaresinol O-beta-D-glucoside | 689069.38 | 845128.30 | 661248.50 | |
| Tafluprost ethyl amide | 1.00 | 1.00 | 177833.90 | |
| Talatizamine | 34871.19 | 1.00 | 86854.50 | |
| TG(14:0/18:2(9Z,12Z)/22:3(10Z,13Z,16Z))[iso6] | 1145980.31 | 1.00 | 4512518.50 | |
| TG(14:0/20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] | 3384952.62 | 1.00 | 2465642.60 | |
| TG(15:0/18:2(9Z,12Z)/19:1(9Z))[iso6] | 1.00 | 1.00 | 842657.60 | |
| TG(15:0/19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] | 590294.25 | 375690.30 | 2458335.60 | |
| TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/19:1(9Z))[iso6] | 980861.31 | 2206021.10 | 2615764.10 | |
| TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/19:1(9Z))[iso6] Esi+23.7446... | 2706792.38 | 1.00 | 1557202.40 | |
| TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:3(8Z,11Z,14Z))[iso6] | 1.00 | 1.00 | 2662223.20 | |
| TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[is... | 1.00 | 1.00 | 3193308.20 | |
| TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[is... | 504347.06 | 1.00 | 2598986.00 | |
| TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,... | 1.00 | 1.00 | 1073457.30 | |
| TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,1... | 1.00 | 1.00 | 1264586.10 | |
| thio-Miltefosine | 1931250.88 | 2728082.70 | 4236936.60 | |
| thio-Miltefosine Esi+13.359999 | 1.00 | 1.00 | 501324.40 | |
| Thiourocanic acid | 11333450.62 | 20440000.30 | 16146532.20 | |
| Thiourocanic acid Esi+1.9739443 | 9422567.69 | 1.00 | 16008806.60 | |
| Threoninyl-Leucine | 1.00 | 1.00 | 335042.00 | |
| Thr Glu Tyr | 634300.75 | 470555.70 | 297150.20 | |
| Thr Glu Tyr Esi+5.9490004 | 1.00 | 1.00 | 317035.80 | |
| Thr Thr Gly | 1.00 | 174059.60 | 233521.80 | |
| Thr Thr Gly Esi+7.3714128 | 115541.44 | 81148.30 | 163990.20 | |
| Tiaprost | 436416.38 | 431372.20 | 348794.40 | |
| Tiaprost Esi+6.3990006 | 238434.00 | 236984.30 | 277813.50 | |
| TrHA | 143894.31 | 1.00 | 420959.30 | |
| Tridecanamide | 1.00 | 1.00 | 412582.60 | |
| Tridodecylamine | 1.00 | 1.00 | 794629.70 | |
| Tridodecylamine Esi+19.624466 | 1209681.44 | 1072021.20 | 813162.00 | |
| Trilobolide | 97513.88 | 1.00 | 116513.00 | |
| Trimethadione | 1.00 | 1.00 | 1253819.70 | |
| Tri-N-acetylchitotriose | 1.00 | 1.00 | 278368.50 | |
| Triphenylphosphine oxide | 1.00 | 1.00 | 543405.20 | |
| Tropisetron | 1.00 | 1.00 | 103754.50 | |
| Tsugaric acid C | 1.00 | 1.00 | 88324.20 | |
| Tuberoside J | 283362.75 | 248063.60 | 229776.50 | |
| Tubulosine | 1.00 | 1.00 | 831010.80 | |
| Tyramine glucuronide | 1.00 | 1.00 | 639776.70 | |
| Tyr Asn Ser | 653331.56 | 259855.00 | 478738.00 | |
| Tyr Met Asp | 1.00 | 1.00 | 140855.80 | |
| Tyrosyl-Proline | 1.00 | 1.00 | 1186715.70 | |
| Ubisemiquinone | 1.00 | 1.00 | 536431.10 | |
| Urolithin A-3-O-glucuronide | 103296.25 | 88142.90 | 199116.50 | |
| Urolithin C | 822001.88 | 1.00 | 2307812.90 | |
| Urolithin C Esi+3.7696095 | 1752140.38 | 3046710.10 | 2429301.10 | |
| Urolithin C Esi+3.7803338 | 772255.75 | 1.00 | 2485809.50 | |
| Uscharidin | 4180931.25 | 3687982.20 | 3518114.80 | |
| Val Ala Gly | 1.00 | 1.00 | 9904795.50 | |
| Val Ala Gly Esi+10.822999 | 1.00 | 1.00 | 206140.60 | |
| Valechlorin | 1.00 | 1.00 | 84471.70 | |
| Val Gly Val | 76761.00 | 1.00 | 146528.10 | |
| Val Lys Trp | 1.00 | 1.00 | 476964.30 | |
| Valyl-Alanine | 1.00 | 1.00 | 641871.60 | |
| Valyl-Lysine | 1.00 | 1.00 | 360213.90 | |
| Vanillin 3-(L-menthoxy)propane-1,2-diol acetal | 61597.81 | 1.00 | 166590.30 | |
| Vignatic acid A | 1631205.50 | 502461.60 | 843836.90 | |
| Wybutoxine Esi+5.58223 | 137032.44 | 1.00 | 351447.10 | |
| Xestospongin C | 1.00 | 1.00 | 512243.00 | |
| Ximelagatran | 84471.81 | 1.00 | 144522.90 | |
| Zanthosimuline | 1.00 | 85814.00 | 230883.50 | |
| (Z)-Tamarindienal Esi+1.2446957 | 2863711.38 | 1160066.90 | 5997153.30 | |
| (Z)-Tamarindienal Esi+20.671001 | 1.00 | 1.00 | 103688.40 | |
| (Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol | 1.00 | 1.00 | 202236.50 |
Factors:
| F1 | Sample source:Mouse blood | treatment:Ethanol |
| F2 | Sample source:Mouse blood | treatment:Ethanol+Honey |
| F3 | Sample source:Mouse blood | treatment:Ethanol+Sugar |
