Data for (Study ST000758)

(Analysis AN001190)

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

MetaboliteF1F2F3F4F5F6F7F8F9
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)- NA 0.4948 0.6613 1.1188 2.6199 NA NA 0.9279 NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)- 0.8380 1.0040 1.2278 1.0195 0.9214 0.9545 1.1528 0.8420 NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)- 0.8630 0.9583 1.2062 1.0259 0.9306 0.9533 1.1306 0.8977 NA
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)- 0.5460 1.0556 1.2035 1.2977 0.8542 0.7214 1.4697 0.5404 NA
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)- 1.1653 0.6177 1.5702 1.0611 0.6689 0.3934 1.3390 1.1569 NA
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)- 1.2668 0.5806 1.6334 1.1564 0.6806 0.3606 1.4074 0.9054 NA
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+CL)- NA NA NA NA NA NA NA 1.0000 NA
17ALPHA-HYDROXYPROGESTERONE (CAS# 68-96-2); (M+HCOO)- 0.7174 1.1342 1.5858 0.8102 0.4211 0.3450 1.8744 0.2366 NA
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)- 1.0685 0.6843 1.3641 1.1033 0.7990 0.6011 1.3748 0.9828 NA
1-HYDROXY-2-NAPHTHOATE (CAS# 86-48-6); (M-H)- 0.7164 0.8221 1.0559 1.2346 0.6549 0.9986 1.4169 0.9596 NA
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)- 1.2941 1.1199 1.3248 0.4681 0.9369 0.4861 1.2930 0.3126 NA
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)- NA 0.6905 1.4049 0.7589 1.0280 NA 0.7427 0.8972 NA
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)- 0.6667 NA 1.3690 1.0519 0.7473 NA 0.8980 NA NA
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)- 1.1806 0.6979 1.4983 1.4198 0.7765 0.4234 1.3092 0.7193 NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)- NA 0.5035 0.9455 1.1859 1.1567 0.9202 0.9928 1.3798 NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)- 0.8827 0.8660 1.0630 1.0699 0.9854 1.0399 1.0099 0.9868 NA
2^-DEOXYINOSINE (CAS# 890-38-0); (M+CL)- NA NA NA 1.0000 NA NA NA NA NA
2-ETHYLHEXANOIC ACID (CAS# 0); (M-H)- 0.8261 0.9062 1.0341 0.9233 0.9466 1.0928 1.1856 0.9558 NA
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)- 1.0309 0.5248 1.2885 0.8324 1.2433 0.7917 1.1713 1.1627 NA
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)- NA NA NA NA NA NA NA 1.0000 NA
2-HYDROXYBUTYRATE (CAS# ); (M-H)- 0.6155 0.8869 1.1205 1.1753 0.7771 1.0024 1.4810 0.8212 NA
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)- 0.9533 1.0285 1.1585 1.1545 0.9333 0.8313 1.0903 0.8967 NA
2-METHYLMALEATE (CAS# 498-23-7); (M-H)- NA 0.6135 0.3622 NA 0.6313 0.2976 2.2409 NA NA
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-78-3); (M-H)- 0.8798 0.9475 1.1251 0.5798 0.9403 1.0607 1.3355 0.9246 NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)- 1.2051 0.8955 1.1164 0.7891 0.6734 1.1699 1.1481 0.8752 NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)- 0.7375 0.5228 1.2635 0.8371 1.0292 0.9371 1.3898 1.2880 NA
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)- 0.7091 1.0819 0.9248 0.7746 0.5996 0.7690 0.9195 2.1061 NA
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)- 1.0652 0.8448 0.9129 0.8334 0.9417 1.3527 0.9027 1.1073 NA
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)- 1.0000 NA NA NA NA NA NA NA NA
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)- 1.0142 NA NA NA 0.9551 1.0319 1.0191 0.8400 NA
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)- NA NA 1.0000 NA NA NA NA NA NA
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)- 0.9769 1.0169 1.1280 1.1423 0.9214 0.8274 1.0962 0.9228 NA
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)- 0.9719 0.9020 1.3130 1.1699 0.9817 0.5007 1.1509 1.0022 NA
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)- NA 0.7084 1.5299 1.3620 0.6283 0.9319 1.1198 0.8913 NA
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)- NA NA NA 1.0734 NA NA NA 0.9266 NA
4-ACETAMINOPHEN SULFATE (CAS# 32113-41-0); (M-H)- 1.4309 NA NA NA NA NA NA 0.5691 NA
4-COUMARATE (CAS# 501-98-4); (M-H)- 0.9231 0.8124 0.7485 1.0676 0.8438 1.1384 1.2711 1.1029 NA
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)- 0.9485 0.8979 0.9807 1.2357 0.6859 1.1668 1.2655 0.8475 NA
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)- 0.6903 1.0618 0.9003 0.9535 0.5740 0.7526 0.8997 2.0452 NA
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)- 1.1450 0.6480 0.9174 0.7482 1.0018 1.0850 1.4447 1.0206 NA
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)- 0.8902 NA 1.0078 NA 0.8236 NA 1.2407 0.5885 NA
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)- 0.0276 0.4579 3.4592 0.2774 0.3180 0.8601 NA 1.7179 NA
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)- 0.0276 0.4605 3.4579 0.2774 0.3219 0.8592 NA 1.7168 NA
4-NITROPHENOL (CAS# 100-02-7); (M-H)- 1.2037 0.9437 1.0063 1.0635 0.8729 0.9306 1.1282 0.8639 NA
4-NITROPHENYL PHOSPHATE (CAS# 330-13-2); (M-H)- NA NA NA NA NA NA 1.0000 NA NA
4-PYRIDOXATE (CAS# 82-82-6); (M-H)- 1.2945 0.6584 1.6128 0.7871 0.8884 0.8794 1.2170 0.6929 NA
4-QUINOLINECARBOXYLIC ACID (CAS# 486-74-8); (M-H)- NA NA NA NA NA NA NA 1.0000 NA
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)- 1.1454 0.5031 1.6257 0.3468 0.6967 0.8798 1.4935 1.1981 NA
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)- NA NA NA NA NA NA 1.2207 0.7793 NA
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)- NA NA 1.4164 NA 0.6026 NA NA 1.3784 NA
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)- 0.4260 1.0186 1.7898 0.7677 0.4137 0.6579 0.8038 1.7515 NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)- 1.1889 0.7775 0.7216 0.6309 1.1471 1.4845 1.2775 0.7816 NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)- 1.3688 0.6257 NA NA 0.7538 1.1897 1.2256 0.6961 NA
5-OXOPROLINE (CAS# 4042-36-8); (M-H)- 0.9122 1.0618 1.1501 1.2912 0.7603 0.9151 0.9715 0.8832 NA
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)- 1.1790 1.2289 0.7626 NA 1.0035 0.8694 0.8477 1.0388 NA
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)- 0.9736 0.9037 1.3156 1.1720 0.9835 0.4875 1.1530 1.0040 NA
ADENOSINE 5^-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)- NA NA 1.0000 NA NA NA NA NA NA
ADIPIC ACID (CAS# 124-04-9 ); (M-H)- 0.9769 1.0169 1.1280 1.1423 0.9214 0.8274 1.0962 0.9228 NA
ADPGLUCOSE (CAS# ); (M-H)- 0.9764 NA 1.1300 NA 0.8752 0.9122 1.2081 0.8012 NA
ALDOSTERONE (CAS# 52-39-1); (M+HCOO)- 1.0000 NA NA NA NA NA NA NA NA
ALLANTOIN (CAS# 97-59-6); (M-H)- 1.0695 1.0319 1.1770 1.0222 0.8694 0.8349 1.0660 0.9189 NA
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O] 0.7634 0.4563 1.2998 0.7729 1.0762 0.9566 1.3950 1.3031 NA
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)- NA 1.0000 NA NA NA NA NA NA NA
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)- 0.6020 1.0534 1.0961 1.1497 0.7601 0.9805 1.4487 0.8033 NA
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)- 1.1463 1.0830 1.1102 0.9677 1.0268 0.9478 1.0633 0.5328 NA
ARABITOL (CAS# 7643-75-6); (M+CL)- NA 0.8443 NA NA NA 1.1557 NA NA NA
ARABITOL (CAS# 7643-75-6); (M+HCOO)- NA 0.9533 0.8438 1.1782 0.8579 NA 1.0821 NA NA
ARACHIDIC ACID (CAS# 506-30-9); (M-H)- 0.9347 0.8582 1.2572 1.2438 0.7396 0.7200 1.4381 0.7542 NA
ARACHIDONATE (CAS# 506-32-1); (M-H)- 0.9917 0.8833 1.1945 0.8703 1.0311 0.8892 1.2891 0.8547 NA
ASPARTATE (CAS# 56-84-8); (M-H)- 0.2086 NA 1.9825 NA NA NA NA 0.9044 NA
AZELAIC ACID (CAS# 123-99-9); (M-H)- 0.9406 0.8660 1.1426 1.2771 0.8946 0.7502 1.1576 0.9215 NA
BEHENIC ACID (CAS# 112-85-6); (M-H)- 0.8890 0.8420 1.0835 1.4005 0.7977 0.7014 1.3354 0.8982 NA
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)- 0.8519 NA 0.7810 NA NA NA 1.2460 0.5313 NA
BENZOATE (CAS# 65-85-0); (M-H)- 0.6874 1.0577 0.8965 0.9495 0.6114 0.7494 0.8948 2.0364 NA
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)- 1.0142 0.4190 0.9274 0.4147 2.0270 0.5210 0.9977 1.2872 NA
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O] 0.8312 1.1434 0.9951 0.7493 1.2831 0.8156 1.1571 1.2113 NA
BETA-MALTOSE (CAS# 69-79-4); (M+CL)- 0.8743 0.8636 1.2597 0.6633 1.0002 0.9909 1.2950 0.9632 NA
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)- NA 0.6916 NA 1.1897 NA 0.8635 0.9743 1.0913 NA
BIOTIN (CAS# 58-85-5); (M-H)- 0.8808 0.8287 0.4203 0.6077 1.1397 0.4184 0.2643 2.3216 NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)- 1.0724 0.8724 0.7913 1.3303 0.6629 0.7979 1.2763 0.8057 NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+HCOO)- NA 1.0697 1.5675 1.7437 0.4802 0.4799 0.6527 0.5439 NA
CAPRYLIC ACID (CAS# 124-07-2); (M-H)- 0.7488 0.7272 1.6573 1.1198 0.8017 0.7193 1.2140 0.9601 NA
CARNOSINE (CAS# 305-84-0); (M-H)- NA NA NA NA 0.2234 NA NA 1.7766 NA
CATECHOL (CAS# 120-80-9); (M-H)- 0.5336 1.1520 0.4460 0.5007 0.5711 NA NA 1.7418 NA
CELLOBIOSE (CAS# 528-50-7); (M+CL)- 0.8743 0.8636 1.2597 0.6633 1.0002 0.9909 1.2950 0.9632 NA
CHOLATE (CAS# 81-25-4); (2M-H)- 1.1061 1.5402 1.6504 0.7378 0.2501 0.1551 NA NA NA
CHOLATE (CAS# 81-25-4); (M+CL)- 1.6169 0.8792 2.2067 1.4774 NA 0.1704 0.1177 0.1137 NA
CHOLATE (CAS# 81-25-4); (M-H)- 1.8275 0.8908 2.1725 1.4820 0.8331 0.2861 0.1101 0.1557 NA
CINNAMIC ACID (CAS# 140-10-3); (M-H)- NA 0.9646 NA NA 1.0997 0.9678 NA NA NA
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)- 0.7510 1.0737 1.2167 1.9089 0.5267 0.6834 1.0719 0.6473 NA
CIS-ACONITATE (CAS# 585-84-2); (M-H)- 1.1222 0.6309 1.1736 1.1383 0.5502 0.4882 1.3602 1.4816 NA
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)- 0.9768 1.0235 1.1888 1.1409 0.8681 0.8568 1.0352 0.8840 NA
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)- 1.0340 0.9854 0.9438 1.0525 0.9202 1.1429 0.9607 0.9529 NA
CIS-ZEATIN (CAS# 1637-39-4); (M-H)- 1.0814 0.9575 0.9182 1.0749 0.9721 1.1108 0.9894 0.9046 NA
CITRAMALATE (CAS# 2306-22-1); (M-H)- 1.1737 0.7754 0.9999 0.8566 0.5722 1.0084 1.3888 1.0751 NA
CITRATE (CAS# 77-92-9); (M-H)- 0.7908 0.5649 1.2738 1.1522 0.4948 1.1546 1.4296 1.0202 NA
CITRULLINE (CAS# 372-75-8); (M-H)- 0.9350 0.8430 1.0609 0.7413 0.8013 NA 1.2788 NA NA
CORTICOSTERONE (CAS# 50-22-6); (M+CL)- 0.8376 1.0039 1.2299 1.0104 0.9210 0.9627 1.1517 0.8425 NA
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)- 0.8620 0.9641 1.2013 1.0262 0.9298 0.9593 1.1259 0.8967 NA
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+HCOO)- NA NA NA 1.1638 NA NA NA 0.8362 NA
CORTISOL (CAS# 50-23-7); (M+CL)- NA 0.9781 NA 1.4468 1.0669 0.7541 NA NA NA
CORTISOL (CAS# 50-23-7); (M+HCOO)- 0.6267 1.0279 0.7283 1.3111 0.7325 1.9583 0.7219 0.2824 NA
CORTISONE (CAS# 53-06-5); (M+HCOO)- NA NA 0.5872 1.4128 NA NA NA NA NA
CREATINE (CAS# 57-00-1); (M-H)- 0.7757 1.1828 1.1861 0.7507 1.0408 1.1052 NA NA NA
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)- 0.9410 0.8665 1.1450 1.2716 0.8949 0.7506 1.1581 0.9227 NA
CYSTATHIONINE (CAS# 56-88-2); (M-H)- NA NA NA NA 1.0000 NA NA NA NA
CYTIDINE (CAS# 65-46-3); (M+CL)- NA 0.8164 NA NA 0.5782 0.9831 NA 1.6393 NA
CYTIDINE (CAS# 65-46-3); (M-H)- 0.9817 1.0403 0.8883 0.9881 1.1471 0.9869 0.9388 NA NA
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)- NA NA 0.5467 NA NA 2.0987 NA 0.3546 NA
DECANOATE (CAS# 334-48-5); (M-H)- 1.0450 1.0541 0.9474 1.0376 0.8148 0.9752 0.9710 1.0915 NA
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)- NA NA 1.2835 NA NA NA 0.4329 NA NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)- 0.2660 1.6143 NA 1.0598 NA NA NA NA NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)- 0.6842 1.1207 2.1036 0.7037 NA NA NA NA NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)- 0.6147 0.9160 1.3808 0.9932 1.2268 0.6873 1.3893 0.2156 NA
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)- 0.9166 0.6700 1.5368 0.7059 0.8417 1.0912 1.2837 0.8966 NA
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)- 1.8635 NA 0.9344 0.5962 0.6715 NA NA NA NA
DEOXYURIDINE (CAS# 951-78-0); (M+CL)- 1.1876 0.8169 1.0716 0.9129 1.2883 0.7974 1.3840 0.6206 NA
DEOXYURIDINE (CAS# 951-78-0); (M-H)- 1.2197 0.9832 0.9226 0.8820 1.3628 0.8360 1.2652 0.6256 NA
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)- 1.1283 0.7078 1.0961 1.0210 1.3921 0.6801 1.2310 0.8338 NA
D-GALACTOSAMINE (CAS# 7535-00-4); (M+HCOO)- NA NA NA NA 1.0000 NA NA NA NA
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)- NA 1.0000 NA NA NA NA NA NA NA
DIACETYL (CAS# 431-03-8); (M+HCOO)- 0.9741 0.7353 1.1371 1.0573 0.9258 1.1289 1.2197 0.8051 NA
DIETHYLSTILBESTROL (CAS# 56-53-1); (M-H)- NA NA NA NA NA 1.0000 NA NA NA
D-LYXOSE (CAS# 1114-34-7); (M+CL)- NA NA 1.0000 NA NA NA NA NA NA
D-LYXOSE (CAS# 1114-34-7); (M-H)- 0.7964 0.4992 0.6063 0.4133 1.0317 1.6262 1.8220 1.3416 NA
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)- NA NA NA 0.1036 NA 1.8964 NA NA NA
D-MANNOSAMINE (CAS# 14307-02-9); (M+HCOO)- NA NA NA NA 1.0000 NA NA NA NA
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)- 0.9196 0.8101 1.6465 0.9871 0.7915 0.6641 1.3832 0.7498 NA
D-ORNITHINE (CAS# 348-66-3); (M-H)- 0.9691 0.8452 1.2512 0.9140 0.8388 0.9700 1.1771 1.0027 NA
D-PSICOSE (CAS# 551-68-8); (M+CL)- 1.0422 0.9423 1.0861 0.8980 1.0209 0.9630 1.0999 0.9581 NA
D-TAGATOSE (CAS# 87-81-0); (M+CL)- 1.0420 0.9422 1.0860 0.8979 1.0208 0.9639 1.0997 0.9580 NA
DUMP (CAS# 964-26-1); (M-H)- 1.1010 0.6818 1.2443 NA 1.0018 1.2535 1.0340 NA NA
EDTA (CAS# 60-00-4); (M-H)- 0.4853 NA 1.9097 0.8963 NA 0.2369 0.5593 0.7129 NA
ELAIDIC ACID (CAS# 112-79-8); (M-H)- 0.9766 1.0235 1.1879 1.1413 0.8680 0.8567 1.0350 0.8852 NA
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)- 1.0871 0.9078 1.2025 0.9552 0.8335 0.9759 1.1895 0.8354 NA
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)- 1.0949 0.9106 1.1273 0.9851 0.8685 0.9958 1.1332 0.8787 NA
ERUCIC ACID (CAS# 112-86-7); (M-H)- 0.7560 0.8577 1.1474 1.9399 0.6124 0.6661 1.2390 0.6762 NA
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)- 1.0480 1.0513 1.0488 0.9821 0.6084 1.2626 0.8703 1.0711 NA
FERULATE (CAS# 1135-24-6); (M-H)- NA NA NA NA 1.0585 NA 0.9415 NA NA
FRUCTOSE (CAS# 57-48-7); (M+CL)- 1.0420 0.9422 1.0860 0.8979 1.0208 0.9639 1.0997 0.9580 NA
FRUCTOSE (CAS# 57-48-7); (M+HCOO)- 1.1959 0.8640 1.1237 0.8280 0.7698 1.1324 1.1649 0.9047 NA
FUMARATE (CAS# 110-17-8); (M-H)- 1.1642 NA NA NA NA 0.8358 NA NA NA
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)- 0.8595 0.9621 0.7984 0.9427 0.8996 0.9477 1.0439 1.4428 NA
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)- 0.9707 0.7328 1.1332 1.0537 0.9226 1.1464 1.2195 0.8034 NA
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)- 0.7956 1.1271 1.1548 1.0064 1.0680 0.9863 1.1045 0.5523 NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)- 1.1520 0.7980 1.3603 0.9444 0.7860 0.9806 1.1982 0.7243 NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)- 1.0370 0.9157 1.2271 0.9301 0.8349 0.9798 1.1239 0.9301 NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)- 1.0830 0.9164 1.1237 0.9818 0.8833 0.9951 1.1175 0.8937 NA
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O] 0.8134 0.3350 1.1606 0.9427 0.6217 1.0676 1.6149 1.2868 NA
GLUCONIC ACID (CAS# 526-95-4); (M-H)- NA NA 0.5467 NA NA 2.0987 NA 0.3546 NA
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)- NA 1.0000 NA NA NA NA NA NA NA
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O] NA 0.7551 NA 0.7079 0.8689 1.2500 1.4015 0.8705 NA
GLUCOSE (CAS# 50-99-7); (2M+HCOO)-[-H2O] NA NA NA 0.9295 NA NA 1.0705 NA NA
GLUCOSE (CAS# 50-99-7); (M+CL)- 1.0420 0.9422 1.0860 0.8979 1.0208 0.9639 1.0997 0.9580 NA
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)- 0.8595 0.9621 0.7984 0.9427 0.8996 0.9477 1.0439 1.4428 NA
GLUTAMATE (CAS# 56-86-0); (M-H)- 1.3366 0.9856 1.0359 0.9484 0.7984 1.1377 1.1145 0.7216 NA
GLUTAMINE (CAS# 56-85-9); (M-H)- 0.8995 0.8642 1.3364 1.1829 0.7633 0.7356 0.8950 1.0647 NA
GLUTARATE (CAS# 110-94-1); (M-H)- 0.9707 0.7328 1.1332 1.0537 0.9226 1.1464 1.2195 0.8034 NA
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O] 0.7225 0.3216 1.2183 0.7515 1.0881 0.9515 1.1867 1.1837 NA
GLYCERATE (CAS# 473-81-4); (M-H)- 0.9515 1.4552 0.7650 1.0502 0.7050 0.9999 0.7484 1.1311 NA
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)- 1.0436 1.5895 0.9606 1.0893 0.7031 1.2733 0.5344 0.3986 NA
GLYCOCHOLATE (CAS# 475-31-0); (2M-H)- NA NA 1.0000 NA NA NA NA NA NA
GLYCOCHOLATE (CAS# 475-31-0); (M-H)- 0.9952 0.7983 2.3267 1.0102 0.6330 0.7094 0.1838 1.0169 NA
GUANINE (CAS# 73-40-5); (M-H)- NA NA 0.7980 0.7502 NA 1.4518 NA NA NA
GUANOSINE 5^-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-H)- 0.9692 NA 1.1358 NA NA 0.9054 0.9896 NA NA
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)- NA NA 1.0000 NA NA NA NA NA NA
HEPTADECANOATE (CAS# 506-12-7); (M-H)- 1.1194 1.0333 1.0852 1.2399 0.8089 0.7979 1.1569 0.7465 NA
HEXACOSANOIC ACID (CAS# 506-46-7); (M-H)- 0.7421 0.7482 0.8104 1.7772 0.8655 0.7347 1.3915 0.8649 NA
HIPPURATE (CAS# 495-69-2); (M-H)- 0.8377 0.5941 1.0066 0.5119 1.0358 1.3343 1.5392 1.1193 NA
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)- 0.9536 1.2666 0.7737 0.8204 1.0177 1.1332 0.9105 1.1195 NA
HYPOXANTHINE (CAS# 68-94-0); (M-H)- 0.7768 NA 0.9701 1.0253 NA 1.0722 0.7310 1.3214 NA
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (2M-H)- 1.1235 NA NA NA NA 1.0598 NA 0.8167 NA
INDOLE-3-ACETATE (CAS# 87-51-4); (M-H)- 1.3897 1.1105 0.8622 1.0189 0.9533 0.7673 0.9947 1.1042 NA
INOSINE 5^-DIPHOSPHATE (CAS# 86-04-4); (M-H)- NA NA 1.0000 NA NA NA NA NA NA
INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M-H)- 0.8703 1.0062 1.1332 1.2126 0.9114 0.8320 1.1726 NA NA
ISOCITRATE (CAS# 320-77-4); (M-H)- 0.6928 0.5210 0.9090 0.8034 0.5547 1.2184 1.3608 1.8144 NA
ISOLEUCINE (CAS# 73-32-5); (M-H)- 0.7006 0.7024 1.6557 0.7760 0.8114 0.6686 1.3126 1.0549 NA
ITACONATE (CAS# 97-65-4); (M-H)- NA 1.1591 0.6817 NA NA NA NA NA NA
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)- 0.7740 0.7936 0.9822 0.6627 1.3318 1.3611 1.0187 0.9738 NA
KYNURENINE (CAS# 343-65-7); (M-H)- NA NA NA NA NA NA NA 1.0000 NA
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)- 1.0794 0.9287 1.0595 1.0101 0.9001 1.0621 1.1038 0.8546 NA
LACTOSE (CAS# 63-42-3); (M+CL)- 0.8733 0.8626 1.2659 0.6625 0.9990 0.9916 1.2935 0.9620 NA
LACTOSE (CAS# 63-42-3); (M-H)- 0.6912 0.7439 0.8005 0.6232 NA 1.1651 1.1546 1.4236 NA
L-ARGININE (CAS# 74-79-3); (M-H)- 0.6124 0.3844 NA 0.8865 0.4157 0.5958 0.4670 2.5269 NA
LAURIC ACID (CAS# 143-07-7); (M-H)- 0.9654 1.1994 0.8361 0.9867 0.9233 1.1602 0.8320 1.0784 NA
LEUCINE (CAS# 328-39-2); (M-H)- 0.7276 0.7484 1.7551 0.6954 0.5765 0.7081 1.3938 1.1181 NA
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)- 0.7707 0.5148 1.7578 1.4757 0.6223 0.5061 1.4837 0.7677 NA
L-GULONATE (CAS# 6322-07-2); (M+CL)+[-H2O] 0.7709 NA NA NA NA 1.2291 NA NA NA
L-GULONATE (CAS# 6322-07-2); (M-H)- NA NA NA 0.1130 NA 1.8870 NA NA NA
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O] 1.0690 0.6936 1.3443 1.0584 0.6726 1.0373 1.0344 1.0560 NA
L-HISTIDINE (CAS# 71-00-1); (M-H)- 1.1518 0.8663 1.2098 0.8423 0.9187 1.1112 0.6851 1.2265 NA
L-HISTIDINOL (CAS# 4836-52-6); (M-H)- 0.8540 1.4729 0.7461 0.9582 0.6348 1.3311 NA 1.0397 NA
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)- 1.0103 1.0788 0.8388 1.4263 0.9153 0.8907 1.1141 0.7132 NA
LINOLEATE (CAS# 60-33-3); (M-H)- 0.8955 1.0585 0.8736 1.0356 0.9542 1.1146 0.9886 1.0543 NA
LITHOCHOLIC ACID (CAS# 434-13-9); (M-H)- 0.7965 NA 1.6830 0.8402 NA NA NA NA NA
LITHOCHOLIC ACID (CAS# 434-13-9); (M+HCOO)- 1.2665 NA NA NA NA 0.9649 0.7687 NA NA
L-ORNITHINE (CAS# 70-26-8); (M-H)- 0.9711 0.8469 1.2380 0.9159 0.8405 0.9720 1.1795 1.0048 NA
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)- NA 0.4874 0.9517 1.1916 1.1557 0.9223 0.9982 1.3856 NA
L-RHAMNOSE (CAS# 10030-85-0); (M-H)- NA NA NA NA NA 0.7772 NA 1.2228 NA
L-RHAMNOSE (CAS# 10030-85-0); (M+HCOO)- 0.8733 0.8762 1.0684 1.0586 0.9750 1.0288 1.0389 0.9764 NA
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)- 1.1102 0.8793 1.1056 1.0062 0.9130 1.0348 1.1516 0.7849 NA
LYSINE (CAS# 56-87-1); (M-H)- 1.4775 0.7922 1.6011 0.6598 0.7622 0.6766 0.7998 1.2838 NA
MALATE (CAS# 97-67-6); (M-H)- 0.6885 1.0315 0.8511 1.2933 1.0766 1.4907 0.9542 0.5749 NA
MALEIC ACID (CAS# 110-16-7); (M-H)- NA 0.6224 NA NA 1.5956 1.1209 1.1693 0.7500 NA
MALTOSE (CAS# 69-79-4); (M+CL)- 0.8733 0.8626 1.2659 0.6625 0.9990 0.9916 1.2935 0.9620 NA
MALTOSE (CAS# 69-79-4); (M+HCOO)- NA 0.6916 NA 1.1897 NA 0.8635 0.9743 1.0913 NA
MANDELIC ACID (CAS# 611-71-2); (M-H)- 0.8307 0.6498 1.4250 1.9164 0.7349 0.7681 0.8072 0.8664 NA
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)- NA 1.0000 NA NA NA NA NA NA NA
MELIBIOSE (CAS# 585-99-9); (M+CL)- 0.8733 0.8626 1.2660 0.6625 0.9990 0.9916 1.2935 0.9620 NA
MELIBIOSE (CAS# 585-99-9); (M+HCOO)- NA 0.6916 NA 1.1897 NA 0.8635 0.9743 1.0913 NA
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)- 0.9982 1.0398 1.5306 0.7770 0.8599 0.9201 1.2323 0.7953 NA
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)- 1.2125 0.8885 1.2882 1.0894 0.6596 0.7351 1.1554 0.8902 NA
METHYLMALONATE (CAS# 516-05-2); (M-H)- 0.8048 1.0393 1.8323 1.2609 0.9379 0.4524 1.0755 0.6927 NA
MEVALONIC ACID (CAS# 674-26-0); (M-H)- NA NA NA 1.0000 NA NA NA NA NA
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)- 0.9739 1.0138 1.1245 1.1513 0.9330 0.8259 1.0926 0.9135 NA
MYRISTIC ACID (CAS# 544-63-8); (M-H)- 0.9534 0.9790 0.8609 1.0597 0.9811 1.0250 1.0382 1.0918 NA
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)- 0.9795 1.5692 0.9413 0.8216 0.9487 1.1624 0.7475 0.8178 NA
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)- 0.9476 0.8387 1.2385 1.0960 0.8276 0.8608 1.2060 0.9368 NA
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+HCOO)- NA 0.8518 1.6093 0.6981 0.8704 0.7966 0.8107 1.3874 NA
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)- 0.3270 0.7317 1.9960 NA 0.6181 1.3809 1.0417 1.0966 NA
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)- 1.0700 0.4254 0.9074 0.5445 0.9691 1.4630 1.5736 1.0652 NA
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)- 0.9492 0.8398 1.2395 1.0924 0.8259 0.8610 1.2062 0.9383 NA
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)- 0.7043 0.6797 1.1845 0.6810 0.7545 0.9339 1.9975 0.9743 NA
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)- 0.9475 0.8393 1.2384 1.0959 0.8275 0.8607 1.2059 0.9367 NA
N-ACETYLGLYCINE (CAS# 543-24-8); (M-H)- 1.1001 0.8457 1.3844 1.0319 0.9830 0.7801 1.0801 0.7992 NA
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)- 1.0487 0.8430 1.0262 1.0574 0.9262 0.9876 1.1392 0.9610 NA
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)- 0.7474 NA 1.1916 0.7601 NA 1.1638 NA 1.1438 NA
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)- 1.0117 0.7141 1.2103 0.7511 0.8653 0.8895 1.7128 0.8247 NA
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)- 0.8838 0.7339 1.3627 0.7710 0.8023 1.0428 1.2214 1.1296 NA
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)- 0.9742 0.8791 1.2235 1.0044 0.9170 0.8217 1.0272 1.1348 NA
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M-H)- NA NA NA NA NA NA NA 1.0000 NA
NAPROXEN (CAS# 22204-53-1); (M-H)- 1.2318 0.6855 0.6951 0.6651 0.9201 1.3051 1.5504 1.3278 NA
N-BOC-D-GLUCOSAMINE (CAS# 75251-80-8); (M+HCOO)- 0.2722 NA 3.0910 0.0643 0.0463 NA NA 1.2631 NA
NERVONIC ACID (CAS# 506-37-6); (M-H)- 0.6214 0.9959 0.7506 2.3991 0.5912 0.6824 1.2328 0.5954 NA
NICOTINATE (CAS# 59-67-6); (M-H)- NA NA NA NA NA 1.1795 NA 0.8205 NA
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)- 1.3366 0.9856 1.0359 0.9484 0.7984 1.1377 1.1145 0.7216 NA
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)- 1.0870 NA 0.8802 1.1105 NA NA 0.8565 NA NA
NONANOATE (CAS# 112-05-0); (M-H)- 1.1373 0.9809 1.0305 NA NA NA 0.9687 0.7652 NA
NORLEUCINE (CAS# 327-57-1); (M-H)- 0.8236 0.7443 1.7450 0.7262 0.5683 0.7674 1.3794 1.1019 NA
OLEIC ACID (CAS# 112-80-1); (M-H)- 0.9755 1.0237 1.1885 1.1402 0.8690 0.8567 1.0355 0.8849 NA
OMEGA-HYDROXYDODECANOIC ACID (CAS# 505-95-3); (M-H)- 0.8921 0.8001 2.2590 0.5727 1.0751 0.7205 0.6410 0.6669 NA
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M-H)+ NA NA 1.0000 NA NA NA NA NA NA
O-PHOSPHOSERINE (CAS# 407-41-0); (M-H)- NA NA NA NA NA NA NA 1.0000 NA
OROTATE (CAS# 65-86-1); (M-H)- NA 1.2372 NA NA NA NA NA 0.7628 NA
OXALOACETATE (CAS# 328-42-7); (M-H)-[-H2O] 0.9481 1.2926 0.8318 1.0426 1.1619 0.7673 0.9955 1.1245 NA
PALATINOSE (CAS# 343336-76-5); (M+CL)- 0.8743 0.8636 1.2597 0.6633 1.0002 0.9909 1.2950 0.9632 NA
PALATINOSE (CAS# 343336-76-5); (M+HCOO)- NA 0.6916 NA 1.1897 NA 0.8635 0.9743 1.0913 NA
PALMITATE (CAS# 57-10-3); (M-H)- 0.9940 1.1321 0.9498 1.0174 0.9234 1.0487 0.9355 0.9854 NA
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)- 0.7934 0.8618 1.5504 1.2774 0.6521 0.6387 1.2810 0.8528 NA
PANTOTHENATE (CAS# 79-83-4); (M+CL)- 1.0014 0.8434 1.8646 0.8100 0.7102 0.9010 0.9603 0.9012 NA
PANTOTHENATE (CAS# 79-83-4); (M-H)- 1.1725 1.0143 1.2597 0.7967 0.8888 1.0097 1.0476 0.8210 NA
PENICILLAMINE (CAS# 52-67-5); (2M-H)+[-H2] NA NA NA NA NA NA NA 1.0000 NA
PENTANOATE (CAS# 109-52-4); (M+HCOO)- NA 0.3155 1.4335 1.0999 0.3818 NA 1.6380 NA NA
PHENYL ACETATE (CAS# 122-79-2); (M-H)- NA 0.9921 NA 0.9740 NA NA 1.0170 NA NA
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)- 1.2051 0.8955 1.1164 0.7891 0.6734 1.1699 1.1481 0.8752 NA
PHENYLALANINE (CAS# 63-91-2); (M-H)- 0.9478 0.7480 1.4055 0.9010 0.7854 0.9481 1.1786 1.0412 NA
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)- 0.5554 0.6181 0.4996 NA 0.3534 0.8912 1.6932 1.0557 NA
PHTHALATE (CAS# 88-99-3); (M-H)- 0.3853 3.0768 0.2435 2.9309 0.3298 0.3735 0.2843 0.3430 NA
PHYTANATE (CAS# 14721-66-5); (M-H)- 1.0581 0.6462 0.5864 0.5979 0.7833 1.3921 1.8091 1.0019 NA
PICOLINIC ACID (CAS# 98-98-6); (M-H)- NA NA NA NA NA 1.1795 NA 0.8205 NA
PINITOL (CAS# 10284-63-6); (M+CL)- 0.9982 1.0398 1.5306 0.7770 0.8599 0.9201 1.2323 0.7953 NA
PROPYNOATE (CAS# 471-25-0); (M-H)- NA 1.3708 0.7997 0.9665 1.6892 0.7844 0.9303 0.7649 NA
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)- 0.7374 0.5031 1.6003 1.3998 0.3406 1.5733 0.8305 0.8376 NA
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)- 0.6155 0.7413 1.5825 0.8397 0.8275 0.8787 1.2846 1.1648 NA
PURINE (CAS# 120-73-0); (M-H)- 0.9578 0.8616 1.0307 1.0225 0.5483 1.0485 1.4502 0.9992 NA
PYRUVATE (CAS# 127-17-3); (M-H)- NA NA 1.0000 NA NA NA NA NA NA
QUINATE (CAS# 77-95-2); (M-H)- NA NA NA NA NA NA 1.0000 NA NA
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+CL)- 0.5541 0.5177 1.8910 0.9840 0.3170 NA 0.9713 1.6501 NA
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+HCOO)- NA 0.1996 0.8707 1.6305 0.8394 1.6734 NA 0.7865 NA
RAFFINOSE (CAS# 512-69-6); (M+CL)- 0.6272 1.3464 NA NA 0.8265 1.3039 0.9736 0.9178 NA
RAFFINOSE (CAS# 512-69-6); (M+HCOO)- NA NA NA 0.8369 1.0910 1.1757 0.9324 0.7461 NA
RETINOATE (CAS# 302-79-4); (M-H)- NA 0.8474 1.1193 0.8836 1.0037 0.9051 1.4322 0.8790 NA
RIBITOL (CAS# 488-81-3); (M+CL)- NA 0.8443 NA NA NA 1.1557 NA NA NA
RIBOFLAVIN (CAS# 83-88-5); (M-H)- 1.1618 NA 1.2152 0.8357 NA NA 0.8995 0.8878 NA
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)- 1.0008 NA 1.1575 NA 0.7994 NA 0.9436 1.0978 NA
RIBOSE (CAS# 50-69-1); (M+CL)- NA NA 1.0000 NA NA NA NA NA NA
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)- 0.0859 1.0068 4.2003 0.8173 0.7837 1.0663 0.1240 1.3500 NA
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)- 0.2026 0.4478 1.8691 0.5345 0.7163 0.5578 1.6833 1.2024 NA
SALICYLATE (CAS# 69-72-7); (M-H)- 0.9091 0.4859 0.4076 0.3523 1.0806 1.8945 1.4942 1.3740 NA
SALICYLURIC ACID (CAS# 487-54-7); (M-H)- NA NA 0.8892 NA 1.0842 NA 1.0532 NA NA
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)- NA 0.2866 1.1451 1.9800 0.4432 NA NA NA NA
SEBACIC ACID (CAS# 111-20-6); (M-H)- 0.9657 1.0127 1.1352 1.0573 0.9404 0.8229 1.0101 1.0401 NA
SERINE (CAS# 56-45-1); (M-H)- 1.1651 0.6751 1.3830 0.8910 0.6938 0.9633 1.0966 1.1300 NA
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)- 0.7646 1.1475 0.9410 1.0045 1.1581 1.0775 1.0645 0.7901 NA
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)- 0.7217 1.1460 0.7968 1.0005 1.3214 0.8723 0.9102 1.3067 NA
STACHYOSE (CAS# 54261-98-2); (M+CL)- 0.7071 0.9523 1.0862 0.7658 1.0908 0.9244 1.2147 1.1606 NA
STEARATE (CAS# 57-11-4); (M-H)- 1.0004 1.0483 0.9782 1.0406 0.8925 1.0582 1.0926 0.8714 NA
SUBERIC ACID (CAS# 505-48-6); (M-H)- 1.0878 1.0954 1.3727 1.0345 0.9070 0.7244 0.8940 0.9658 NA
SUCCINATE (CAS# 110-15-6); (M-H)- 0.9796 0.8860 1.2773 0.9688 0.9215 0.8375 1.2457 0.8671 NA
SUCROSE (CAS# 57-50-1); (M+CL)- 0.8743 0.8636 1.2597 0.6633 1.0002 0.9909 1.2950 0.9632 NA
SUCROSE (CAS# 57-50-1); (M+HCOO)- NA 0.6916 NA 1.1897 NA 0.8635 0.9743 1.0913 NA
TAURINE (CAS# 107-35-7); (M-H)- 0.9270 0.9214 1.4930 1.0098 0.8283 0.8254 1.4920 0.9128 NA
TAUROLITHOCHOLATE (CAS# 516-90-5); (2M-H)- 0.7590 0.6391 NA NA 1.3554 1.7853 0.8195 NA NA
TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)- 1.0000 NA NA NA NA NA NA NA NA
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O] 1.0811 0.4298 0.9168 0.3672 0.9791 1.4781 1.5899 1.0762 NA
THROMBOXANE B2 (CAS# 54397-85-2); (M+CL)- 1.3639 0.4081 0.9034 NA 1.3363 0.8074 0.8171 NA NA
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)- 1.1267 1.0689 0.8685 0.9650 0.9224 0.8610 1.2384 0.9572 NA
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O] 0.8479 0.5714 1.5532 0.8186 0.8633 0.9078 1.2663 1.1480 NA
THYMIDINE (CAS# 50-89-5); (M+CL)- 0.9573 0.6774 1.0641 1.1886 0.9220 0.9471 0.9181 1.3052 NA
THYMIDINE (CAS# 50-89-5); (M-H)- 1.1370 0.9412 1.1419 1.0703 0.9251 0.9692 1.0500 0.7756 NA
THYMIDINE (CAS# 50-89-5); (M+HCOO)- 1.1394 0.9192 1.1077 1.0984 0.9571 0.9529 1.0443 0.7972 NA
THYMINE (CAS# 65-71-4); (M-H)- NA NA NA NA NA NA 1.0000 NA NA
THYROXINE (CAS# 51-48-9); (M-H)- 0.9320 1.0686 1.0407 1.0601 0.9156 0.7316 1.2156 1.0887 NA
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)- 1.1414 0.5203 1.1408 0.9707 0.5576 0.9355 1.2452 1.4382 NA
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)- 0.9762 1.0236 1.1884 1.1401 0.8689 0.8567 1.0354 0.8848 NA
TRIACONTANOIC ACID (CAS# 506-50-3); (M-H)- 0.8531 NA NA 0.6642 0.8982 0.8526 0.9368 1.4323 NA
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)- 1.9945 1.0882 0.9628 0.6712 1.3643 0.7931 0.7461 0.9860 NA
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O] 1.2072 1.2343 0.7011 0.8021 0.7793 1.1989 1.0028 1.0352 NA
TRICOSANOIC ACID (CAS# 2433-96-7); (M-H)- 0.8511 0.6092 1.0857 1.3712 0.8101 0.7873 1.4432 0.9857 NA
TRIDECANOIC ACID (CAS# 638-53-9); (M-H)- 1.0155 1.0505 0.8039 1.1290 0.9107 1.0400 1.0442 0.9939 NA
TRYPTOPHAN (CAS# 73-22-3); (2M-H)- 1.2286 0.8859 1.0244 0.9568 1.0296 0.9847 1.1429 0.7612 NA
TRYPTOPHAN (CAS# 73-22-3); (M-H)- 0.9732 0.8374 1.1150 0.9710 0.8548 1.0770 1.2535 0.8894 NA
TYROSINE (CAS# 60-18-4); (M-H)- 1.0495 0.6829 1.4854 0.7791 0.7241 0.8693 1.1364 1.1908 NA
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)- NA 1.7991 0.6550 NA NA NA NA 0.7730 NA
URACIL (CAS# 66-22-8); (M-H)- 1.0520 0.9446 1.1496 0.9375 0.9903 0.9427 1.0865 0.8786 NA
URATE (CAS# 69-93-2); (M-H)- 1.0993 0.5281 1.2751 0.9914 0.9617 0.9327 1.2259 0.9952 NA
URIDINE (CAS# 58-96-8); (M+CL)- 1.0382 0.5129 1.9330 0.8166 0.5984 0.6943 1.2294 1.0860 NA
URIDINE (CAS# 58-96-8); (M-H)- 0.9356 0.7648 1.1965 1.0311 0.9585 0.7581 1.2049 1.0469 NA
URIDINE (CAS# 58-96-8); (M+HCOO)- 0.7423 NA NA 0.9893 1.1881 0.8897 0.9352 1.2556 NA
UROCANATE (CAS# 104-98-3); (M-H)- 0.7370 0.8467 2.0658 0.4147 0.5624 0.6637 2.1215 0.4714 NA
URSODIOL (CAS# 128-13-2); (M-H)- 0.9230 0.7220 1.2882 0.9266 1.1445 0.6412 1.0598 NA NA
URSODIOL (CAS# 128-13-2); (M+HCOO)- 1.0107 1.6168 0.7816 1.7252 0.8170 0.6603 0.2046 0.4255 NA
VALINE (CAS# 72-18-4); (M-H)- 0.9155 0.5540 1.6919 0.3819 0.6550 0.7224 1.6487 1.2418 NA
XANTHOSINE (CAS# 146-80-5); (M-H)- 1.0533 1.0752 1.0803 1.2926 0.4597 0.8362 1.2221 0.9545 NA
XYLOSE (CAS# 58-86-6); (M+HCOO)- NA NA 0.4136 NA NA 2.2069 NA 0.3795 NA
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)- 1.0340 0.9854 0.9438 1.0525 0.9202 1.1429 0.9607 0.9529 NA
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)- 1.0810 0.9572 0.9181 1.0745 0.9729 1.1111 0.9900 0.9042 NA
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

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