Data for (Study ST000696)

(Analysis AN001079)

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
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- 0.8937 NA 0.5126 1.5583
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)- 0.9337 NA 1.3931 0.6898
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)- 1.1902 NA 1.1170 0.7111
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- NA NA 0.3771 1.8305
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)- NA NA NA 1.0000
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- 0.9503 NA 1.0828 NA
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- 0.9053 NA 0.9361 1.1586
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+CL)- 1.0000 NA NA NA
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- 0.7532 NA 1.1581 1.0887
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)- 0.7329 NA 0.9009 1.3662
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)- 3.3508 NA 0.3113 0.5133
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)- NA NA 1.0000 NA
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)- 0.8243 NA 1.5271 NA
2^-DEOXYINOSINE (CAS# 890-38-0); (M-H)- NA NA 1.3293 0.3414
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 0.8188 NA 1.0276 1.1537
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)- 1.4053 NA 0.7635 0.7839
2-HYDROXYBUTYRATE (CAS# ); (M-H)- 0.9183 NA 0.9887 1.0931
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 0.6059 NA 1.2382 1.1559
2-METHYLMALEATE (CAS# 498-23-7); (M-H)- 0.7777 NA 1.1094 1.1129
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- 1.0606 NA 0.8732 1.0661
3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)- 1.4655 NA NA 0.5345
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O] NA NA 1.0000 NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 0.8395 NA 1.1771 0.9834
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 1.0823 NA 0.9947 0.9230
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- 0.8087 NA 1.1370 1.0543
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 0.7236 NA 1.0625 1.2140
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)- 0.7377 NA 1.2292 0.8937
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)- NA NA 0.5690 1.4310
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)- 1.0000 NA NA NA
4-COUMARATE (CAS# 501-98-4); (M-H)- 1.0179 NA 0.8483 1.1337
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)- 1.2927 NA 0.8000 0.8406
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- 1.0828 NA 0.9515 0.9071
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- 0.9166 NA 0.9187 1.1647
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- 0.9164 NA 0.9188 1.1648
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)- 1.8110 NA 0.7126 0.7637
4-NITROPHENOL (CAS# 100-02-7); (M-H)- 0.7582 NA 1.2106 1.0312
4-PYRIDOXATE (CAS# 82-82-6); (M-H)- 0.8764 NA 1.0207 1.1287
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 1.3721 NA NA 0.6279
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- 1.0428 NA 0.9937 0.9768
5-HYDROXY OMEPRAZOLE (CAS# 92340-57-3); (M-H)- NA NA 1.0000 NA
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- 1.0648 NA 0.7113 1.0149
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)- NA NA 1.0000 NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 0.9155 NA 1.0297 1.0548
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 0.8983 NA 1.0713 1.0304
5-OXOPROLINE (CAS# 4042-36-8); (M-H)- 1.2225 NA 0.8301 0.9474
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)- 1.1917 NA 0.8588 1.1865
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- 0.7242 NA 1.0606 1.2151
ACETOACETATE (CAS# 541-50-4); (M-H)- NA NA 1.0535 0.9465
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+ 0.9607 NA 1.4100 0.7113
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)- 1.0310 NA 1.0187 0.9502
ADENOSINE (CAS# 58-61-7); (M+CL)- 0.8285 NA 1.5145 NA
ADENOSINE (CAS# 58-61-7); (M+HCOO)- 0.7652 NA 1.1374 1.1218
ADIPIC ACID (CAS# 124-04-9 ); (M-H)- 0.8087 NA 1.1370 1.0543
ALDOSTERONE (CAS# 52-39-1); (M+CL)- 0.7803 NA NA 1.2197
ALDOSTERONE (CAS# 52-39-1); (M+HCOO)- 1.0000 NA NA NA
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] 0.8394 NA 1.1756 0.9850
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)- 0.9183 NA 0.9887 1.0931
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)- 1.0000 NA NA NA
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- 0.9816 NA 0.9852 1.0332
ARACHIDIC ACID (CAS# 506-30-9); (M-H)- 0.8936 NA 0.6605 1.4459
ARACHIDONATE (CAS# 506-32-1); (M-H)- 0.8603 NA 1.0662 1.0734
ASPARAGINE (CAS# 70-47-3); (M-H)- 1.0000 NA NA NA
ASPIRIN (CAS# 50-78-2); (M-H)- 1.5550 NA NA 0.4450
AZELAIC ACID (CAS# 123-99-9); (M-H)- 0.7756 NA 1.0898 1.1347
BEHENIC ACID (CAS# 112-85-6); (M-H)- 0.7677 NA 0.9347 1.2975
BENZOATE (CAS# 65-85-0); (M-H)- 0.7344 NA 0.9260 1.3395
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)- 1.2171 NA 0.5839 0.9216
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O] 0.9675 NA 0.8173 1.3261
BETA-MALTOSE (CAS# 69-79-4); (M+CL)- 1.5945 NA 0.2964 1.7581
BIOTIN (CAS# 58-85-5); (M-H)- 0.6139 NA 1.3620 1.2735
BOC-LYS-OH (CAS# 13734-28-6); (M-H)- 0.9938 NA 0.9871 1.0127
BOC-SER-OH (CAS# 3262-72-4); (M-H)- 0.5228 NA 1.1449 1.4516
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- 0.6654 NA NA 1.3346
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+HCOO)- NA NA NA 1.0000
CAPRYLIC ACID (CAS# 124-07-2); (M-H)- 1.3292 NA 0.6340 1.0294
CATECHOL (CAS# 120-80-9); (M-H)- 0.9254 NA 0.7005 1.5981
CELLOBIOSE (CAS# 528-50-7); (M+CL)- 1.8709 NA 0.2508 2.0629
CHOLATE (CAS# 81-25-4); (2M-H)- 2.6099 NA 0.0860 0.2314
CHOLATE (CAS# 81-25-4); (M+CL)- 1.8629 NA NA 0.1371
CHOLATE (CAS# 81-25-4); (M-H)- 1.6036 NA 0.3591 0.9091
CINNAMIC ACID (CAS# 140-10-3); (M-H)- 0.4261 NA 0.9183 1.5409
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- 0.8811 NA 0.7468 1.3721
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- 0.9091 NA 1.0186 1.0723
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- 0.9284 NA 0.9949 1.0767
CIS-ZEATIN (CAS# 1637-39-4); (M-H)- 0.9248 NA 0.9987 1.0765
CITRAMALATE (CAS# 2306-22-1); (M-H)- NA NA 1.0000 NA
CITRATE (CAS# 77-92-9); (M-H)- 1.1650 NA 0.8623 0.9727
CITRULLINE (CAS# 372-75-8); (M-H)- 1.7017 NA 0.2301 0.7889
CORTICOSTERONE (CAS# 50-22-6); (M+CL)- 0.8306 NA 1.3035 0.8777
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)- 1.1793 NA 1.1213 0.7139
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+CL)- 0.4330 NA 1.3974 1.1697
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+HCOO)- 0.8767 NA 1.1796 0.9437
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- 0.7756 NA 1.0898 1.1347
CYTIDINE (CAS# 65-46-3); (M+CL)- 1.3226 NA 0.4640 0.9636
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- 1.5108 NA 0.6384 1.3932
DECANOATE (CAS# 334-48-5); (M-H)- 0.8209 NA 0.8376 1.3057
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)- 1.0000 NA NA NA
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- 1.0462 NA 0.8727 1.0810
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)- 0.8775 NA 1.0900 1.0326
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)- 1.0702 NA NA 0.9298
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- 1.0000 NA NA NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- 0.9962 NA 1.1133 0.8904
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)- NA NA 1.0000 NA
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)- NA NA NA 1.0000
DEOXYURIDINE (CAS# 951-78-0); (M+CL)- 1.0163 NA 0.9490 1.0347
DEOXYURIDINE (CAS# 951-78-0); (M-H)- 1.0483 NA 0.9344 1.0172
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)- 1.0725 NA 0.9412 0.9864
DGMP (CAS# 902-04-5); (M-H)- 1.3550 NA 0.5839 1.1652
DIACETYL (CAS# 431-03-8); (M+HCOO)- 0.9800 NA 0.8220 1.1980
D-LYXOSE (CAS# 1114-34-7); (M+CL)- NA NA 1.0447 0.9553
D-LYXOSE (CAS# 1114-34-7); (M-H)- NA NA 0.9882 1.0059
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- 1.3645 NA 0.5820 1.2625
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- 0.8595 NA 1.1704 0.9701
D-ORNITHINE (CAS# 348-66-3); (M-H)- 1.0000 NA NA NA
D-PSICOSE (CAS# 551-68-8); (M+CL)- 1.4281 NA 0.1438 NA
D-TAGATOSE (CAS# 87-81-0); (M+CL)- 1.4281 NA 0.1438 NA
DUMP (CAS# 964-26-1); (M-H)- NA NA 0.9329 1.0671
ELAIDIC ACID (CAS# 112-79-8); (M-H)- 0.9091 NA 1.0186 1.0723
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 0.8747 NA 1.0068 1.1185
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 0.8830 NA 1.0139 1.1031
ERUCIC ACID (CAS# 112-86-7); (M-H)- 0.7543 NA 0.4344 1.8113
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- 0.7020 NA 0.9524 1.3457
FERULATE (CAS# 1135-24-6); (M-H)- 0.8367 NA 1.0709 1.0693
FRUCTOSE (CAS# 57-48-7); (M+CL)- 1.4281 NA 0.1438 NA
FRUCTOSE (CAS# 57-48-7); (M+HCOO)- 0.8935 NA 1.0055 1.1010
FUMARATE (CAS# 110-17-8); (M-H)- 1.1655 NA 0.7734 1.0158
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- 1.0130 NA 0.7984 1.1886
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)- 0.9320 NA 1.8385 0.6148
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- 0.9816 NA 0.9851 1.0333
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- 0.8562 NA 0.9584 1.1854
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- 0.3134 NA 0.9004 2.4728
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- 0.9084 NA 0.9835 1.1080
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] 0.9368 NA 0.9350 1.1281
GLUCONIC ACID (CAS# 526-95-4); (M-H)- 1.7585 NA 0.6396 0.8422
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O] 2.1722 NA 0.3136 1.4435
GLUCOSE (CAS# 50-99-7); (M+CL)- 1.4281 NA 0.1438 NA
GLUTAMATE (CAS# 56-86-0); (M-H)- 0.4091 NA 1.1532 1.4376
GLUTAMINE (CAS# 56-85-9); (M-H)- 0.9991 NA 0.7868 1.1425
GLUTARATE (CAS# 110-94-1); (M-H)- 1.0130 NA 0.7984 1.1886
GLUTATHIONE (CAS# 27025-41-8); (M-H)- 0.8246 NA 1.1915 0.9839
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] 0.8389 NA 1.1299 1.0714
GLYCERATE (CAS# 473-81-4); (M-H)- 1.0000 NA NA NA
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- 0.8749 NA 1.3512 0.8990
GLYCINE (CAS# 56-40-6); (M-H)- NA NA NA 1.0000
GLYCOCHOLATE (CAS# 475-31-0); (M-H)- 1.0000 NA NA NA
GLYCOLITHOCHOLATE (CAS# 474-74-8 ); (M-H)- NA NA NA 1.0000
GUANINE (CAS# 73-40-5); (M-H)- 1.0889 NA 0.7253 1.2154
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)- 0.9872 NA 0.9937 1.0192
GUANOSINE (CAS# 118-00-3); (M+CL)- NA NA 1.0000 NA
HEPTADECANOATE (CAS# 506-12-7); (M-H)- 0.9856 NA 0.9611 1.0534
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- 0.8340 NA 0.7631 1.4029
HEXANOATE (CAS# 142-62-1); (M-H)- 0.5963 NA 1.2954 1.0271
HIPPURATE (CAS# 495-69-2); (M-H)- 0.8119 NA 1.0322 1.1559
HOMOVANILLATE (CAS# 306-08-1); (2M-H)- NA NA 0.9229 1.1156
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- 1.3220 NA 0.8628 0.8152
HYPOXANTHINE (CAS# 68-94-0); (M-H)- 0.8127 NA 0.9866 1.2721
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M-H)- 0.8285 NA NA 1.1715
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)- NA NA 1.0000 NA
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M-H)- 0.8894 NA 1.1380 0.9726
INOSINE 5^-DIPHOSPHATE (CAS# 86-04-4); (M-H)- NA NA 1.0000 NA
INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M-H)- NA NA 1.0000 NA
INOSINE (CAS# 58-63-9); (M+CL)- NA NA 1.1852 0.8148
INOSINE (CAS# 58-63-9); (M-H)- 0.5581 NA 1.1497 1.2922
ISOCITRATE (CAS# 320-77-4); (M-H)- 1.1650 NA 0.8639 0.9711
ISOLEUCINE (CAS# 73-32-5); (M-H)- 0.8230 NA 1.0349 1.1136
ITACONATE (CAS# 97-65-4); (M-H)- 0.5891 NA 0.6437 1.7672
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)- 0.8792 NA 0.9678 1.1530
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- 0.9218 NA 1.0247 1.0535
KYNURENINE (CAS# 343-65-7); (M-H)- 0.8966 NA 1.1034 NA
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 0.9134 NA 0.9806 1.1478
LACTOSE (CAS# 63-42-3); (M+CL)- 1.8709 NA 0.2508 2.0629
LACTOSE (CAS# 63-42-3); (M-H)- NA NA 0.9007 1.0993
L-ARGININE (CAS# 74-79-3); (M-H)- 1.0998 NA 0.8777 1.0558
LAURIC ACID (CAS# 143-07-7); (M-H)- 0.8939 NA 0.9478 1.1583
LEUCINE (CAS# 328-39-2); (M-H)- 0.9739 NA 0.9688 1.0458
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)- 1.1824 NA 0.7420 1.0756
L-GULONATE (CAS# 6322-07-2); (M-H)- 1.6608 NA 0.6450 0.8125
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O] 1.1544 NA 0.9428 0.9943
L-HISTIDINE (CAS# 71-00-1); (M-H)- 1.2940 NA 0.8005 0.7725
L-HISTIDINOL (CAS# 4836-52-6); (M-H)- 1.0000 NA NA NA
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- 0.9152 NA 0.9820 1.1028
LINOLEATE (CAS# 60-33-3); (M-H)- 0.9610 NA 1.0511 0.9880
LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)- 1.1740 NA 0.9130 NA
L-RHAMNOSE (CAS# 10030-85-0); (M-H)- 0.3213 NA 1.3394 NA
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- 0.9577 NA 0.9850 1.0715
LYSINE (CAS# 56-87-1); (M-H)- 1.4763 NA 0.9350 0.6839
LYSOPHOSPHATIDIC ACID (CAS# 0); (M-H)- NA NA NA 1.0000
MALATE (CAS# 97-67-6); (M-H)- 0.9470 NA 0.8456 1.2206
MALATE (CAS# 97-67-6); (M-H)+[-H2O] 1.0465 NA 0.8009 1.1618
MALEIC ACID (CAS# 110-16-7); (M-H)- 1.1797 NA 0.9937 0.8253
MALTOSE (CAS# 69-79-4); (M+CL)- 1.8709 NA 0.2508 2.0629
MANDELIC ACID (CAS# 611-71-2); (M-H)- 1.0003 NA 0.8652 1.1345
MELIBIOSE (CAS# 585-99-9); (M+CL)- 1.6491 NA 0.2381 1.8183
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- 0.9879 NA 0.9386 1.0735
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)- 1.1184 NA 0.5264 NA
METHYLMALONATE (CAS# 516-05-2); (M-H)- 0.9711 NA 0.6971 1.4147
MEVALONIC ACID (CAS# 674-26-0); (M-H)- 0.9037 NA 0.9854 1.1109
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- 0.8144 NA 1.1337 1.0519
MYRISTIC ACID (CAS# 544-63-8); (M-H)- 1.0284 NA 1.0407 0.9310
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- 0.8512 NA 0.9856 1.1632
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- 0.9600 NA 1.0065 1.0470
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- 1.0744 NA 0.8247 1.1008
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- 0.4604 NA NA 1.5396
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- 0.9600 NA 1.0065 1.0470
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- 0.9516 NA 0.8645 1.1839
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- 0.9600 NA 1.0065 1.0470
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- 0.8389 NA 0.9896 1.1714
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- 0.9740 NA 0.9165 1.1095
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- 1.2140 NA 0.9465 NA
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- 1.0918 NA 0.8363 1.0719
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- 1.2719 NA 0.7522 0.9760
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- 0.9751 NA 0.8465 1.1785
NERVONIC ACID (CAS# 506-37-6); (M-H)- 0.6917 NA 0.7396 1.5687
NICOTINATE (CAS# 59-67-6); (M-H)- 1.1636 NA 0.7239 1.0562
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- 0.4091 NA 1.1532 1.4376
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)- NA NA NA 1.0000
NONANOATE (CAS# 112-05-0); (M-H)- 0.8107 NA 0.8754 1.3139
NORLEUCINE (CAS# 327-57-1); (M-H)- 0.7536 NA 1.0626 1.1471
OLEIC ACID (CAS# 112-80-1); (M-H)- 0.9088 NA 1.0185 1.0726
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- 1.1036 NA NA 0.9655
OMEPRAZOLE SULFONE (CAS# 88546-55-8); (M-H)- NA NA 1.0000 NA
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)- 1.2880 NA 0.9076 0.7813
OROTATE (CAS# 65-86-1); (M-H)- 0.8333 NA 0.6095 1.3715
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)- 0.8246 NA 1.1915 0.9839
PALATINOSE (CAS# 343336-76-5); (M+CL)- 1.8709 NA 0.2508 2.0629
PALMITATE (CAS# 57-10-3); (M-H)- 1.0312 NA 0.9601 1.0087
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- 0.8119 NA 1.0297 1.1583
PANTOTHENATE (CAS# 79-83-4); (M+CL)- 1.0517 NA 0.7764 1.1719
PANTOTHENATE (CAS# 79-83-4); (M-H)- 1.0410 NA 0.8434 1.1156
PENTANOATE (CAS# 109-52-4); (M+HCOO)- 0.9676 NA 0.8024 1.3775
PHENYL ACETATE (CAS# 122-79-2); (M-H)- 0.9761 NA 0.2615 1.1668
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- 1.0606 NA 0.8732 1.0661
PHENYLALANINE (CAS# 63-91-2); (M-H)- 1.0499 NA 0.9113 1.0387
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)- 1.3773 NA 0.7445 0.6348
PHYTANATE (CAS# 14721-66-5); (M-H)- 0.9897 NA 0.8532 1.1964
PICOLINIC ACID (CAS# 98-98-6); (M-H)- 1.0094 NA 0.8583 1.1323
PINITOL (CAS# 10284-63-6); (M+CL)- 0.9898 NA 0.9403 1.0699
PROPENOATE (CAS# 79-10-7); (M-H)- NA NA NA 1.0000
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)- 1.3122 NA 0.6878 NA
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- NA NA NA 1.0000
PTERIN (CAS# 2236-60-4); (M-H)- NA NA 1.3954 0.6046
PURINE (CAS# 120-73-0); (M-H)- 1.2029 NA 0.5959 1.2012
PYRUVATE (CAS# 127-17-3); (M-H)- 0.3398 NA 0.8731 1.6516
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCOO)- NA NA 1.0000 NA
RAFFINOSE (CAS# 512-69-6); (M+CL)- 0.9337 NA 0.9383 1.1928
RETINOATE (CAS# 302-79-4); (M-H)- 0.9999 NA 0.9524 1.0477
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)- 1.1647 NA 0.8353 NA
RIBOSE (CAS# 50-69-1); (M+CL)- NA NA 0.8278 1.0861
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M-H)- 0.8116 NA 1.1884 NA
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 0.9081 NA 0.9419 1.1500
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- 0.9545 NA 0.9239 1.0791
SALICYLATE (CAS# 69-72-7); (M-H)- 1.2596 NA 0.7460 0.9943
SALICYLURIC ACID (CAS# 487-54-7); (M-H)- 0.8048 NA 0.7486 1.2862
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- NA NA 0.9455 1.0273
SEBACIC ACID (CAS# 111-20-6); (M-H)- 0.6855 NA 0.9895 1.3251
SERINE (CAS# 56-45-1); (M-H)- 1.1762 NA 0.7890 0.9857
SHIKIMATE (CAS# 138-59-0); (M-H)- NA NA 1.0000 NA
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)- 1.0055 NA 0.9074 1.0871
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- 1.0810 NA 0.9190 NA
STACHYOSE (CAS# 54261-98-2); (M+CL)- 0.9964 NA 0.8077 1.2448
STEARATE (CAS# 57-11-4); (M-H)- 1.0034 NA 0.9415 1.0551
SUBERIC ACID (CAS# 505-48-6); (M-H)- 0.7314 NA 1.0698 1.1988
SUCCINATE (CAS# 110-15-6); (M-H)- 0.9119 NA 0.8255 1.3283
SUCROSE (CAS# 57-50-1); (M+CL)- 1.6213 NA 0.2678 1.7876
TAURINE (CAS# 107-35-7); (M-H)- 0.7394 NA 1.1956 0.9129
THEOPHYLLINE (CAS# 58-55-9); (M-H)- NA NA 1.0000 NA
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] 0.4604 NA NA 1.5396
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)- 0.8209 NA 0.9321 1.2334
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] NA NA NA 1.0000
THYMIDINE (CAS# 50-89-5); (M+CL)- 0.9822 NA 0.9566 1.0612
THYMIDINE (CAS# 50-89-5); (M-H)- 0.9899 NA 0.9798 1.0302
THYMIDINE (CAS# 50-89-5); (M+HCOO)- 1.0253 NA 1.0010 0.9671
THYROXINE (CAS# 51-48-9); (M-H)- 1.1225 NA 1.0049 0.8715
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- 1.1564 NA 0.8131 1.0305
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- 0.9089 NA 1.0185 1.0725
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)- 0.9903 NA 1.0058 1.0039
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 2.1764 NA 0.6648 0.5794
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] 0.8698 NA 0.9746 1.1946
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- 0.9427 NA 1.0341 1.0232
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- 1.0259 NA 0.9072 1.0670
TRYPTOPHAN (CAS# 73-22-3); (2M-H)- 1.0000 NA NA NA
TRYPTOPHAN (CAS# 73-22-3); (M-H)- 1.0012 NA 0.9488 1.0499
TYROSINE (CAS# 60-18-4); (M-H)- 1.3234 NA 0.7919 0.8847
UDP-GLUCOSE (CAS# 133-89-1); (M-H)- NA NA 1.0000 NA
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)- 0.4914 NA 1.2543 NA
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)- 0.8307 NA 0.6507 1.4340
URATE (CAS# 69-93-2); (M-H)- 0.8782 NA 0.9522 1.1697
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)- 0.9667 NA 1.1664 NA
URIDINE (CAS# 58-96-8); (M+CL)- 0.9470 NA 0.8917 1.1612
URIDINE (CAS# 58-96-8); (M-H)- 0.8978 NA 0.9835 1.1187
URIDINE (CAS# 58-96-8); (M+HCOO)- 0.8771 NA 1.0771 1.0765
URSODIOL (CAS# 128-13-2); (M-H)- 1.2978 NA 0.5265 1.1171
URSODIOL (CAS# 128-13-2); (M+HCOO)- 0.9376 NA 1.1187 1.0015
VALINE (CAS# 72-18-4); (M-H)- 1.3497 NA NA 0.6503
XANTHINE (CAS# 69-89-6); (M-H)- 0.7347 NA 0.9327 1.3326
XANTHOSINE (CAS# 146-80-5); (M-H)- 0.7004 NA 0.8003 1.3995
XYLOSE (CAS# 58-86-6); (M+HCOO)- 1.6228 NA 0.5575 1.5245
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- 0.9284 NA 0.9949 1.0767
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- 0.9247 NA 0.9990 1.0764
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1stress:N | treatment:None
F2stress:POOLED | treatment:POOLED
F3stress:Y | treatment:+Lacto
F4stress:Y | treatment:None
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