Data for (Study ST000741)

(Analysis AN001155)

Values for each metabolite have been scaled by dividing by the mean across all factors

Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

MetaboliteF1F2F3F4
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- 0.7431 0.9950 NA 1.2115
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)- 0.6995 1.1746 NA 1.1259
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- NA NA NA 1.0000
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- 1.2413 0.8900 NA 0.8688
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- 0.8865 1.1767 NA 0.9369
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)- 0.8831 1.0734 NA 1.0435
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)- 1.0000 NA NA NA
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)- 1.1199 0.9415 NA 0.9832
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)- 0.5710 1.2874 NA 0.9125
2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOSYLAMINE (CAS# 4229-38-3); (M+CL)- 1.0000 NA NA NA
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ); (M-H)- 1.1195 1.1879 NA 0.6158
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)- NA NA NA 1.0000
2^-DEOXYINOSINE (CAS# 890-38-0); (M+CL)- NA 1.0000 NA NA
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 0.4350 1.1647 NA 0.7414
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)- NA NA NA 1.0000
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 0.8589 1.1512 NA 0.9899
2-METHYLMALEATE (CAS# 498-23-7); (M-H)- 0.6894 0.5159 NA 1.5298
2-OXOADIPATE (CAS# 3184-35-8); (M-H)- NA 1.4975 NA 0.5025
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- 0.7524 1.2141 NA 1.0335
3^-CMP (CAS# 63-37-6); (M-H)- NA 1.0000 NA NA
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M-H)- 1.0000 NA NA NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 0.8991 0.9648 NA 1.1302
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 0.1705 NA NA 1.8295
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- 0.8573 1.1491 NA 0.9935
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 0.9741 1.0299 NA 0.9960
3-PHOSPHOGLYCERATE (CAS# ); (M-H)- 0.5325 1.4585 NA 1.0090
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)- 1.2144 0.8168 NA 0.9844
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)- 2.1460 0.4270 NA NA
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)- 1.0000 NA NA NA
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- NA 1.0000 NA NA
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- 1.0377 1.2306 NA 0.7380
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- 1.0381 1.2304 NA 0.7379
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)- 0.9342 1.1367 NA 1.0632
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)- 1.0056 1.0952 NA 0.8544
4-NITROPHENOL (CAS# 100-02-7); (M-H)- 1.0200 0.9963 NA 0.9837
4-PYRIDOXATE (CAS# 82-82-6); (M-H)- 0.8819 0.9796 NA 1.1661
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 0.8967 1.1853 NA 0.9180
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- 0.9919 1.2431 NA 0.5379
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 1.2038 1.0000 NA 0.7962
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 1.1730 1.1049 NA 0.7221
5-OXOPROLINE (CAS# 4042-36-8); (M-H)- 0.8593 1.1151 NA 0.9020
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- 0.9737 1.0294 NA 0.9969
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- 1.0731 0.9089 NA 1.0361
ADENOSINE (CAS# 58-61-7); (M+HCOO)- 1.3973 1.2083 NA 0.5899
ADIPIC ACID (CAS# 124-04-9 ); (M-H)- 0.8573 1.1491 NA 0.9935
ADPGLUCOSE (CAS# ); (M-H)- 1.0356 1.0124 NA 0.9520
ADP-RIBOSE (CAS# ); (M-H)- 1.0417 1.0150 NA 0.9291
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] 0.9035 0.9572 NA 1.1322
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)- 1.4890 0.4545 NA 0.9343
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- 0.9978 1.0033 NA 0.9989
ARACHIDIC ACID (CAS# 506-30-9); (M-H)- 1.0743 0.9549 NA 1.0610
ARACHIDONATE (CAS# 506-32-1); (M-H)- 0.5161 0.7450 NA 1.7389
ASPARTATE (CAS# 56-84-8); (M-H)- 1.1722 0.9798 NA 0.8860
AZELAIC ACID (CAS# 123-99-9); (M-H)- 1.0068 1.1696 NA 0.8236
BEHENIC ACID (CAS# 112-85-6); (M-H)- 0.8576 1.0059 NA 1.1365
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O] NA 1.2584 NA 0.7933
BETA-MALTOSE (CAS# 69-79-4); (M+CL)- NA 1.8029 NA 0.1971
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)- 2.0751 0.4979 NA 0.6180
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- NA NA NA 1.0000
CARNOSINE (CAS# 305-84-0); (M-H)- NA NA NA 1.0000
CELLOBIOSE (CAS# 528-50-7); (M+CL)- NA 1.8029 NA 0.1971
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)- 1.5704 0.8543 NA 0.7179
CIS-ACONITATE (CAS# 585-84-2); (M-H)- 1.1320 1.0682 NA 0.7597
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- 0.8059 1.0180 NA 1.1761
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- 0.9626 0.9772 NA 1.0602
CIS-ZEATIN (CAS# 1637-39-4); (M-H)- 0.9708 1.0284 NA 1.0008
CITRAMALATE (CAS# 2306-22-1); (M-H)- 1.6301 0.3049 NA 1.0325
CITRATE (CAS# 77-92-9); (M-H)- 1.0030 0.9979 NA 0.9992
CITRULLINE (CAS# 372-75-8); (M-H)- NA 1.0000 NA NA
CMP (CAS# 63-37-6); (M-H)- NA 1.0000 NA NA
CORTISOL (CAS# 50-23-7); (M+HCOO)- NA 1.0000 NA NA
CORTISONE (CAS# 53-06-5); (M+CL)- 1.9059 0.7310 NA 0.3630
CORTISONE (CAS# 53-06-5); (M+HCOO)- 1.3027 0.8956 NA 0.4989
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- 1.0101 1.1677 NA 0.8222
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+HCOO)- 1.0000 NA NA NA
CYTIDINE (CAS# 65-46-3); (M+CL)- 0.8669 1.7412 NA 0.5251
CYTIDINE (CAS# 65-46-3); (M-H)- 1.3398 0.6893 NA 0.9709
CYTIDINE (CAS# 65-46-3); (M+HCOO)- 1.3385 0.8667 NA 0.6819
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- NA NA NA 1.0000
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- 1.1513 0.8615 NA 0.8864
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)- 1.3574 0.6426 NA NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- NA NA NA 1.0000
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)- NA 0.6343 NA 1.3657
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- 0.8220 1.1130 NA 1.0651
DEOXYGUANOSINE 5^-TRIPHOSPHATE (CAS# 2564-35-4); (M-H)- 1.0000 NA NA NA
DEOXYURIDINE (CAS# 951-78-0); (M+CL)- 1.3480 NA NA 0.6520
DEOXYURIDINE (CAS# 951-78-0); (M-H)- 1.6020 0.4815 NA 0.9582
DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)- 0.9356 1.5679 NA 0.5902
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)- 1.5029 NA NA 0.4971
DGDP (CAS# 653-63-4); (M-H)- NA 1.0000 NA NA
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)- 1.4969 NA NA 0.5031
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)- 1.4006 0.5454 NA 0.9538
DGMP (CAS# 902-04-5); (M-H)- 1.0669 1.0113 NA 0.9218
D-LYXOSE (CAS# 1114-34-7); (M+CL)- 1.0000 NA NA NA
D-LYXOSE (CAS# 1114-34-7); (M-H)- NA 0.8536 NA 1.1464
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- NA NA NA 1.0000
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- 0.5598 1.0845 NA 1.3557
D-ORNITHINE (CAS# 348-66-3); (M-H)- 1.0875 0.8207 NA 1.0085
D-PSICOSE (CAS# 551-68-8); (M+CL)- 0.8915 1.4214 NA 0.7382
D-TAGATOSE (CAS# 87-81-0); (M+CL)- 0.8915 1.4214 NA 0.7382
EDTA (CAS# 60-00-4); (M-H)- 0.5839 2.5418 NA 0.5412
ELAIDIC ACID (CAS# 112-79-8); (M-H)- 0.8059 1.0180 NA 1.1761
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 0.9156 1.1049 NA 0.9795
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 0.9304 1.1104 NA 0.9592
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)- 1.0097 1.0387 NA 0.9395
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- NA 1.0000 NA NA
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)- 0.8669 1.1156 NA 1.0175
FOLIC ACID (CAS# 59-30-3); (M-H)- 0.6835 1.4193 NA 0.8972
FRUCTOSE (CAS# 57-48-7); (M+CL)- 0.8915 1.4214 NA 0.7382
FRUCTOSE (CAS# 57-48-7); (M+HCOO)- 1.0012 1.2730 NA 0.7713
FUMARATE (CAS# 110-17-8); (M-H)- 1.2254 1.1609 NA 0.6405
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)- NA 1.0000 NA NA
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- 0.9986 1.0033 NA 0.9981
GDPMANNOSE (CAS# ); (M-H)- 1.0489 1.1529 NA 0.7983
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- 0.9129 1.0562 NA 1.0309
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- 1.0006 1.0592 NA 0.9402
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- 1.0067 1.0652 NA 0.9280
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] 0.8543 1.0093 NA 1.1364
GLUCONIC ACID (CAS# 526-95-4); (M-H)- 2.4720 NA NA 0.2640
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)- 1.4890 0.4545 NA 0.9343
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O] NA NA NA 1.0000
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O] 1.0452 0.8879 NA 1.0820
GLUCOSE (CAS# 50-99-7); (M+CL)- 0.8915 1.4214 NA 0.7382
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)- 1.6936 1.6145 NA 0.3459
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- NA 1.0000 NA NA
GLUTAMATE (CAS# 56-86-0); (M-H)- 1.2604 0.9887 NA 0.8755
GLUTAMINE (CAS# 56-85-9); (M-H)- 0.9667 0.6472 NA 1.8056
GLUTARATE (CAS# 110-94-1); (M-H)- NA 1.0000 NA NA
GLUTATHIONE (CAS# 27025-41-8); (M-H)- 1.0809 0.9271 NA 0.9920
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] 0.8991 0.9648 NA 1.1302
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- 0.7437 0.5574 NA 2.1766
GLYCINE (CAS# 56-40-6); (M-H)- 1.4483 0.7809 NA 0.3224
GLYCOCHOLATE (CAS# 475-31-0); (M-H)- NA 1.0000 NA NA
GUANOSINE 5^-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-H)- 1.0356 1.0124 NA 0.9520
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)- 1.0903 0.9346 NA 0.9689
GUANOSINE (CAS# 118-00-3); (M-H)- 1.0308 1.2735 NA 0.6957
HEPTADECANOATE (CAS# 506-12-7); (M-H)- 1.1354 1.0664 NA 0.8434
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- 0.9366 0.7776 NA 1.2478
HIPPURATE (CAS# 495-69-2); (M-H)- 0.8073 1.3570 NA 0.8357
HOMOSERINE (CAS# 672-15-1); (M-H)- 1.1765 1.0507 NA 0.8422
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- 0.9408 1.1248 NA 0.9344
HYPOXANTHINE (CAS# 68-94-0); (M-H)- 1.2891 1.0566 NA 0.8391
INOSINE (CAS# 58-63-9); (M-H)- 1.0139 1.0156 NA 0.9705
ISOCITRATE (CAS# 320-77-4); (M-H)- 0.8575 0.9974 NA 1.1450
ISOLEUCINE (CAS# 73-32-5); (M-H)- 1.0971 1.1252 NA 0.5554
ITACONATE (CAS# 97-65-4); (M-H)- 1.0514 0.5265 NA 1.2239
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- 0.8787 1.1011 NA 1.0202
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- 0.9986 1.0728 NA 0.9286
KYNURENINE (CAS# 343-65-7); (M-H)- 0.6919 1.4845 NA 0.6472
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 0.9690 0.9833 NA 1.1764
LACTOSE (CAS# 63-42-3); (M+CL)- NA 1.8029 NA 0.1971
LACTOSE (CAS# 63-42-3); (M-H)- NA NA NA 1.0000
L-ALLOTHREONINE (CAS# 28954-12-3); (M-H)- 1.3029 1.1636 NA 0.7528
L-ARGININE (CAS# 74-79-3); (M-H)- 1.0621 0.8758 NA NA
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M-H)- 1.0704 0.8930 NA 1.0458
LEUCINE (CAS# 328-39-2); (M-H)- 1.0764 1.1470 NA 0.5532
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)- NA 0.8685 NA 1.1315
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O] NA NA NA 1.0000
L-GULONATE (CAS# 6322-07-2); (M-H)- 2.2293 NA NA 0.3854
L-HISTIDINE (CAS# 71-00-1); (M-H)- 1.1910 0.9757 NA 0.8333
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- 0.7676 1.0124 NA 1.2641
LINOLEATE (CAS# 60-33-3); (M-H)- 0.8470 1.0723 NA 1.0806
L-ORNITHINE (CAS# 70-26-8); (M-H)- 0.9932 0.9720 NA 1.0830
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)- NA NA NA 1.0000
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- 0.9845 1.0540 NA 0.9615
LUMICHROME (CAS# 1086-80-2); (M-H)- 1.2543 0.8491 NA 0.8759
LYSINE (CAS# 56-87-1); (M-H)- 1.0576 0.9611 NA 0.9525
MALATE (CAS# 97-67-6); (M-H)- 1.3264 0.8193 NA 0.8542
MALATE (CAS# 97-67-6); (M-H)+[-H2O] 1.3619 0.9396 NA 0.6262
MALEAMATE (CAS# 557-24-4); (M-H)- 1.0000 NA NA NA
MALEIC ACID (CAS# 110-16-7); (M-H)- 1.2601 1.1653 NA 0.5746
MALTOSE (CAS# 69-79-4); (M+CL)- NA 1.8029 NA 0.1971
MALTOSE (CAS# 69-79-4); (M+HCOO)- 2.3303 0.4944 NA 0.6188
MANDELIC ACID (CAS# 611-71-2); (M-H)- 0.1705 NA NA 1.8295
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)- 1.4890 0.4545 NA 0.9343
MELIBIOSE (CAS# 585-99-9); (M+CL)- NA 1.8029 NA 0.1971
MELIBIOSE (CAS# 585-99-9); (M+HCOO)- 2.1744 0.4596 NA 0.5774
METHIONINE (CAS# 63-68-3); (M-H)- 1.1524 0.9852 NA 0.8280
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- NA 1.0230 NA 0.9540
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)- 1.3841 0.2319 NA NA
METHYLMALONATE (CAS# 516-05-2); (M-H)- 1.0473 1.2032 NA 0.7495
MEVALONIC ACID (CAS# 674-26-0); (M-H)- 1.0000 NA NA NA
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- 0.8573 1.1491 NA 0.9935
MYRISTIC ACID (CAS# 544-63-8); (M-H)- 0.9398 1.0074 NA 1.0527
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- 1.0665 0.8563 NA 1.0938
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- 1.2193 1.0174 NA 0.6448
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)- 0.7645 0.6191 NA 1.3232
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- 1.0913 0.9382 NA 0.9706
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- 1.3033 1.0235 NA 0.8366
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- 1.2193 1.0174 NA 0.6448
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- 1.2193 1.0174 NA 0.6448
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- 0.9115 1.1821 NA 0.9242
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- 1.0750 0.9250 NA NA
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- 0.9410 1.0992 NA 0.8390
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- 0.6685 1.2854 NA 0.7606
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- 0.2130 2.3808 NA 0.2094
NAD (CAS# 53-84-9); (M-H)- 1.0052 1.0828 NA 0.9121
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)- 1.2898 0.6842 NA 1.0520
N-CYCLOHEXYLSULFAMIC ACID (CAS# 100-88-9); (2M-H)- NA 0.8132 NA 1.1868
NERVONIC ACID (CAS# 506-37-6); (M-H)- 0.9656 0.9185 NA 1.1321
NICOTINATE (CAS# 59-67-6); (M-H)- 0.6952 1.1702 NA 0.8971
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- 1.2604 0.9887 NA 0.8755
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+CL)- 1.0000 NA NA NA
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+CL)- 1.0000 NA NA NA
NORLEUCINE (CAS# 327-57-1); (M-H)- 1.0808 1.1476 NA 0.5432
OLEIC ACID (CAS# 112-80-1); (M-H)- 0.8059 1.0180 NA 1.1761
OMEPRAZOLE (CAS# 73590-58-6); (M-H)- 1.0000 NA NA NA
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+ 1.4695 NA NA 0.5305
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M-H)- 1.1070 0.7964 NA 1.0287
O-PHOSPHOSERINE (CAS# 407-41-0); (M-H)- 1.0792 0.7764 NA 1.0699
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)- 1.2839 1.1307 NA 0.5854
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)- NA NA NA 1.0000
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2 1.8738 0.7815 NA NA
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- 1.0783 0.9283 NA 0.9934
PALATINOSE (CAS# 343336-76-5); (M+CL)- NA 1.8029 NA 0.1971
PALATINOSE (CAS# 343336-76-5); (M+HCOO)- 2.0751 0.4979 NA 0.6180
PALMITATE (CAS# 57-10-3); (M-H)- 0.9729 1.0255 NA 1.0016
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- 1.0040 0.9239 NA 1.0727
PANTOTHENATE (CAS# 79-83-4); (M+CL)- 0.8676 0.9837 NA 1.1487
PANTOTHENATE (CAS# 79-83-4); (M-H)- 0.8188 1.0852 NA 1.0959
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- 0.7451 1.2181 NA 1.0368
PHENYLALANINE (CAS# 63-91-2); (M-H)- 1.0781 1.0807 NA 0.8413
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)- 1.0000 NA NA NA
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)- 1.4533 0.6070 NA 1.0379
PHOSPHOENOLPYRUVATE (CAS# 138-08-9); (M-H)- NA 0.6149 NA 1.1926
PHYTANATE (CAS# 14721-66-5); (M-H)- NA 1.0000 NA NA
PICOLINIC ACID (CAS# 98-98-6); (M-H)- 0.5470 1.0279 NA 1.0953
PINITOL (CAS# 10284-63-6); (M+CL)- NA 1.0179 NA 0.9464
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M-H)- 0.7596 NA NA 1.1202
PROPENOATE (CAS# 79-10-7); (M-H)- 1.0438 0.9124 NA NA
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- NA NA NA 1.0000
PTERIN (CAS# 2236-60-4); (M-H)- 1.0000 NA NA NA
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M-H)- 1.2114 0.9905 NA 0.8366
PYRIDOXINE (CAS# 65-23-6); (M-H)- NA 1.1068 NA 0.9466
PYRUVATE (CAS# 127-17-3); (M-H)- 1.0135 1.0552 NA 0.9107
RAFFINOSE (CAS# 512-69-6); (M+CL)- 0.3773 1.2097 NA 0.9968
RAFFINOSE (CAS# 512-69-6); (M+HCOO)- 0.5076 1.1672 NA 1.4877
RETINOATE (CAS# 302-79-4); (M-H)- 0.3693 1.2903 NA 1.1302
RIBOFLAVIN (CAS# 83-88-5); (M+CL)- 0.9461 1.0343 NA 1.0107
RIBOFLAVIN (CAS# 83-88-5); (M-H)- 0.9979 1.0890 NA 0.9275
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)- 0.9200 1.1299 NA 0.9921
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)- 1.1303 1.4271 NA 0.5078
RIBOSE (CAS# 50-69-1); (M+CL)- 1.0000 NA NA NA
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M-H)- NA 1.0000 NA NA
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 1.0301 1.2449 NA 0.7251
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+CL)- 1.3925 1.0000 NA 0.6075
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- 1.0726 1.1005 NA 0.8270
SALICYLATE (CAS# 69-72-7); (M-H)- 0.4823 0.9226 NA 1.7676
(-)-SALSOLINOL (CAS# 27740-96-1); (M+CL)- 0.4842 1.2942 NA 0.9275
S-CARBOXYMETHYL-L-CYSTEINE (CAS# 638-23-3); (M-H)- 0.6906 1.3094 NA NA
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- NA NA NA 1.0000
SEBACIC ACID (CAS# 111-20-6); (M-H)- 1.0399 1.0148 NA 0.9316
SERINE (CAS# 56-45-1); (M-H)- 0.9931 0.9749 NA 1.0766
STACHYOSE (CAS# 54261-98-2); (M+CL)- 0.7977 1.2790 NA 0.8896
STACHYOSE (CAS# 54261-98-2); (M-H)- 0.4883 0.9881 NA 1.2118
STEARATE (CAS# 57-11-4); (M-H)- 0.9514 1.0466 NA 1.0019
SUBERIC ACID (CAS# 505-48-6); (M-H)- 0.9845 1.1830 NA 0.8630
SUCCINATE (CAS# 110-15-6); (M-H)- 1.0502 1.1983 NA 0.7516
SUCROSE (CAS# 57-50-1); (M+CL)- NA 1.8029 NA 0.1971
SUCROSE (CAS# 57-50-1); (M+HCOO)- 2.0751 0.4979 NA 0.6180
SULFADIMETHOXINE (CAS# 122-11-2); (M-H)- NA 1.0000 NA NA
TAURINE (CAS# 107-35-7); (M-H)- 0.9629 0.9273 NA 1.1098
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] 1.3058 1.0265 NA 0.8338
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] NA NA NA 1.0000
THYMIDINE (CAS# 50-89-5); (M+CL)- NA 1.0000 NA NA
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- 1.1273 1.0722 NA 0.7607
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- 0.8059 1.0180 NA 1.1761
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)- NA NA NA 1.0000
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 0.6180 1.8397 NA 0.7711
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- 0.9617 1.0549 NA 1.0218
TRYPTOPHAN (CAS# 73-22-3); (M-H)- 1.1677 0.9634 NA 0.8217
TYROSINE (CAS# 60-18-4); (M-H)- 1.1251 1.0580 NA 0.8169
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)- 1.0059 0.7709 NA 1.2233
UDP-GLUCOSE (CAS# 133-89-1); (M-H)- 1.0760 0.7426 NA 1.1361
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)- 1.3588 0.8129 NA 0.8283
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O] NA 0.9027 NA 1.0486
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)- 1.4117 0.7022 NA 0.8493
URATE (CAS# 69-93-2); (M-H)- 1.9535 0.0903 NA 0.0246
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- 1.0317 0.9037 NA 1.0651
URIDINE (CAS# 58-96-8); (M+CL)- 1.2405 1.2549 NA 0.5045
URIDINE (CAS# 58-96-8); (M-H)- 1.4729 1.0583 NA 0.4688
URIDINE (CAS# 58-96-8); (M+HCOO)- 1.4263 0.9766 NA 0.4550
UROCANATE (CAS# 104-98-3); (M-H)- 0.7811 1.3689 NA 0.6191
VALINE (CAS# 72-18-4); (M-H)- 0.8599 1.2060 NA 0.9341
XANTHINE (CAS# 69-89-6); (M-H)- 1.0030 1.2397 NA 0.7573
XANTHOSINE (CAS# 146-80-5); (M-H)- 0.9698 1.0237 NA 1.0065
XYLOSE (CAS# 58-86-6); (M+HCOO)- NA NA NA 1.0000
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- 0.9623 0.9778 NA 1.0599
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- 0.9710 1.0283 NA 1.0007
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Factors:

F1subject type:Healthy control
F2subject type:Mild disease
F3subject type:POOLED
F4subject type:Severe disease
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