Data for Guinea Grass Untargeted Metabolomic Profiling (Study ST001071)

(Analysis AN001753)

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

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MetaboliteF1F2F3F4F5F6F7F8F9F10F11F12F13F14F15F16F17F18F19F20F21F22F23F24F25F26F27F28F29F30F31F32
1,2,3-trihydroxybenzene NA 0.3322 NA NA NA NA NA NA NA NA NA NA NA NA 0.7708 NA NA NA NA NA NA NA 1.6100 NA NA NA NA NA NA NA 1.2870 NA
1,3-diaminopropane 0.2814 0.3267 0.3355 1.0423 0.2578 0.4892 0.8599 0.7035 1.4160 1.0798 0.7377 1.6150 0.7401 0.5049 1.1917 0.4751 1.4190 0.9854 2.2856 1.0884 1.6258 2.0546 1.6140 1.4322 0.8262 1.3140 0.7842 0.4185 1.5811 1.6796 0.4960 0.6184
1,6-Anhydroglucose NA NA NA 1.2009 NA NA NA NA NA NA NA NA NA NA NA NA NA NA 0.3482 3.8951 NA 1.0752 NA 0.7940 0.2821 0.6185 1.0251 0.2389 NA 0.2958 NA NA
1-Benzylglucopyranoside 0.8771 0.3493 0.3127 0.4953 0.7574 0.2129 0.5937 0.4160 0.6398 0.9170 1.0547 2.1959 1.0746 0.6558 0.7912 0.9489 0.7950 0.5429 2.9146 1.8373 0.9445 1.1639 1.8785 1.6749 0.6226 1.4639 1.4027 0.9530 1.2600 1.0608 0.7801 0.7710
1-Methyl-a-D-glucopyranoside 1.0431 0.5844 0.2069 1.0418 0.7615 0.9317 0.8760 0.3661 1.0438 0.7277 1.1809 2.0795 1.1317 0.7287 0.7019 0.5002 1.1244 0.4202 1.4642 1.3222 1.9316 0.3176 1.0503 1.4522 0.6911 1.6198 2.0165 0.8189 0.6168 1.1632 0.5690 0.8333
1-Monohexadecanoylglycerol 0.7669 0.2925 0.4789 0.7565 0.8681 0.6367 0.8325 0.4516 1.3538 0.6361 1.5911 2.3391 1.5419 0.4152 1.2689 0.8145 1.3015 0.6015 1.0023 1.9542 0.9856 1.0923 1.6399 1.2299 0.6396 1.0359 1.0035 0.6427 1.5314 1.0599 0.5367 0.8227
1-Monooctadecanoylglycerol NA NA NA NA NA NA NA NA NA NA 1.7920 NA 0.7907 NA 1.0709 NA NA NA 1.0153 NA NA NA NA NA NA NA NA 0.3311 NA NA NA NA
2-Hexadecanoylglycerol NA NA NA NA NA NA NA NA NA NA NA 1.3069 NA NA NA NA NA NA 2.1761 NA NA NA NA NA 0.2451 NA NA 0.3727 0.8992 NA NA NA
2-Methylglutaric acid NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.2707 NA NA 2.3292 0.3020 NA NA NA NA 0.0981 NA
2-METHYLMALIC ACID 0.2978 0.2030 1.6505 1.9923 3.5571 1.9482 2.4714 2.6538 0.2395 0.4743 0.1745 0.1352 0.2729 0.2552 0.3099 0.2061 0.6083 0.3323 0.5648 1.3247 0.6640 0.6141 0.5785 0.7907 0.3452 0.9924 0.4800 1.9660 2.6406 0.4241 1.4160 2.1300
2-METHYLSERINE NA NA NA NA NA 0.6936 NA NA NA NA NA 1.4723 NA NA NA 1.1663 NA 0.9342 2.8269 NA NA NA 0.3157 NA NA 0.8804 0.6800 NA NA NA 0.4145 0.7698
2-methylsuccinic acid 0.3559 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 2.0683 0.6377 NA 3.0943 0.4209 NA NA NA NA 0.2538 0.1692
2-O-Glycerol-alfa-d-galactopyranoside 1.0477 0.3524 0.3579 0.6930 0.8212 1.0304 0.7354 0.5614 1.3354 1.1248 0.7897 2.2480 1.2221 0.5317 1.5543 0.5177 1.1196 1.0032 1.4894 0.7045 1.8785 1.6623 1.2775 1.5174 0.6145 1.1209 1.5214 0.6946 0.4719 0.8806 0.6026 0.6664
2-O-Glycerol-b-D-galactopyranoside 0.2786 NA NA 0.5156 0.5807 NA 0.2814 0.2322 0.5678 0.7352 0.5290 0.5475 0.3335 0.8001 0.9966 0.9248 1.6168 1.5952 1.8164 NA 1.6202 1.6469 1.2095 1.5921 0.3486 1.0474 1.0311 0.9304 3.0787 0.4595 1.4227 1.1731
2-O-Glycerol-b-D-glucopyranoside 0.6000 0.3783 NA 0.6471 0.7586 0.4288 0.6737 0.3837 0.7438 0.4818 0.8287 1.1372 1.0367 0.4105 0.8489 0.4565 2.0485 0.6766 2.0476 1.9497 1.3736 1.1636 1.8607 1.7365 1.0108 1.0984 0.9404 NA 1.1781 1.0088 NA NA
2-Piperidinecarboxylic acid NA NA NA NA NA NA NA NA 0.5317 0.5415 0.6813 0.7350 0.7967 0.8211 0.6959 0.5407 NA NA NA NA 3.7024 NA NA NA NA NA NA NA 1.4130 NA NA NA
2-Propylheptanol 0.6069 0.7230 NA 0.9017 NA 0.3761 NA NA NA 1.0300 1.4538 NA 0.7052 NA 1.5670 1.4691 NA 0.6354 2.7537 NA 1.2444 NA NA NA 0.3818 NA NA NA 0.5242 NA 0.2571 NA
3,7,11,15-Tetramethyl-2-hexadecen-1-ol 0.7972 0.7925 1.4890 0.7161 1.5318 0.7516 0.8134 0.7474 1.7817 0.8426 2.0612 0.7130 1.0113 0.7242 1.3206 0.9105 0.7171 0.2676 0.4643 2.5365 0.4463 0.4048 0.2274 0.3699 0.2062 1.3509 1.6876 1.2426 2.3471 0.2393 1.0784 1.3784
3-Heptenedioic acid, 4-hydroxy 0.9739 NA NA NA NA 0.5808 NA 2.5744 0.7092 1.3338 0.5008 0.8153 1.0330 1.5056 1.2966 0.5248 0.9965 NA NA NA NA 0.6989 NA NA NA NA NA NA NA NA NA 0.9353
3-hydroxy-6-methylpyridine 0.6632 NA NA 0.8895 NA NA 0.6028 NA 1.1019 1.2366 1.6769 1.7690 0.8992 0.3962 0.7413 0.7649 NA 1.4734 2.6597 NA NA NA NA 1.4192 0.6121 0.9162 NA 0.3513 NA 1.1259 0.5587 0.4875
3-O-coumaroyl-D-quinic acid 0.4682 0.2481 0.3423 0.2425 1.5591 0.9061 1.3878 1.5671 0.7640 0.8444 0.9272 1.0586 0.6569 1.2547 0.9204 1.1785 0.8333 0.8422 1.3907 1.0614 1.0779 2.5701 1.5078 0.8836 0.4690 1.4229 0.6384 0.4485 2.6557 0.9653 0.8073 1.2072
4-aminobityric acid 0.4164 0.3779 0.7727 1.1336 1.2461 0.7234 0.8361 0.8673 1.6086 1.0590 1.0372 1.0996 0.6845 0.7682 1.2219 0.8748 0.8647 0.9661 1.4482 1.2239 1.0138 1.8409 1.3728 0.6035 0.4861 1.8575 1.1403 0.8516 1.2248 0.5721 0.7097 1.0834
4-methylaminobutyric acid 0.2069 0.0188 0.1623 1.3330 0.5903 0.5036 0.5587 0.2588 1.9429 0.5111 0.7880 0.3997 1.6956 0.7913 1.0769 0.8182 1.3056 1.1067 1.0815 0.6383 1.1309 1.4838 1.7109 2.6456 1.8600 2.2741 0.8327 0.4040 0.2208 2.7197 0.4958 0.1438
4-O-coumaroyl-D-quinic acid NA NA NA NA 1.0723 NA NA 0.7009 NA NA NA NA NA NA NA NA NA NA NA NA NA 1.5545 1.3955 NA NA NA NA 0.5390 1.0326 NA NA 0.7052
5-hydroxymethylfurfural 0.1422 0.1578 0.1803 0.6052 0.3301 0.6359 0.0934 0.3185 0.2365 0.2487 0.4436 0.7808 0.4176 0.3621 0.5756 0.8606 0.6451 0.5250 7.6288 0.5306 3.2354 0.1511 1.6604 1.7790 0.3489 0.2863 1.0199 0.2537 2.8637 1.3027 3.4133 0.8368
5-Hydroxytryptamine NA NA NA 0.7174 NA NA NA NA NA NA NA NA NA NA NA 0.7821 2.6997 NA NA NA NA NA NA NA NA NA 0.6108 0.4260 NA NA 0.4939 0.4602
9,12,15-Octadecatrienoic acid 0.8212 0.4598 0.5480 0.6976 0.8286 0.8431 0.6919 0.6683 2.7070 0.8997 1.3486 1.7356 0.9433 0.7791 1.3623 0.7765 0.8730 0.8452 1.9504 1.0434 0.7589 2.1749 1.6314 0.7653 0.3847 1.0598 1.1301 0.8795 0.9167 0.6479 0.5713 0.7798
9,12,15-Octadecatrienoic acid, ethyl ester NA NA NA 0.9178 NA NA NA NA 2.9615 NA 0.4356 0.6514 NA NA 0.5881 NA NA NA NA NA NA 0.5279 NA NA NA NA NA NA NA NA NA NA
9,12,15-Octadecatrienoic acid, methyl ester 0.3062 NA NA 2.6474 NA 0.3521 0.3103 NA 2.2542 NA 0.3961 4.0719 1.3152 NA NA 0.2815 0.4110 0.4318 1.2628 NA 0.4112 0.5864 0.4016 1.6865 0.7538 0.9366 0.9835 0.3281 NA 1.3399 0.2085 NA
9,12-Octadecadienoic acid 0.8072 0.4565 0.5401 0.7991 1.0889 0.6691 0.8337 0.6359 1.9318 0.8142 1.6633 1.7354 0.7909 0.6839 1.3684 0.8027 0.9362 0.6171 2.2756 1.4299 0.8553 1.6281 1.6770 0.8854 0.6536 0.9408 0.9767 0.7273 1.2985 0.6659 0.4730 0.8240
9,12-Octadecadienoic acid, ethyl ester NA NA NA 0.4076 NA NA NA NA 2.9783 NA NA 0.8530 0.3534 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA
9,12-Octadecadienoic acid, methyl ester 0.6119 0.5045 0.4113 0.3809 0.3384 0.7223 0.5919 0.3799 3.1610 0.1886 1.3260 7.4703 2.1400 0.5376 1.0037 1.0034 0.4626 0.7401 0.2982 0.4622 0.8438 0.4025 0.2022 0.3079 1.4830 1.8646 1.0181 0.5776 0.3112 2.5384 0.4381 0.4128
9-Hexadecenoic acid NA NA NA NA NA NA NA NA 0.3674 NA 1.4090 1.1910 0.3887 0.6934 NA NA 0.7563 0.6506 1.6922 NA NA 1.7749 1.7898 NA 0.8102 NA 1.0147 0.9339 1.0964 NA 0.7120 0.9483
9-Octadecenoic acid 1.1111 NA NA 0.4790 0.5477 0.4967 1.1581 0.6775 1.4892 0.9012 1.3254 2.1497 0.5267 1.2534 0.5057 0.8446 0.5057 NA NA NA NA 3.0160 1.0395 NA 1.4463 NA 1.7042 NA 0.5307 NA 0.2492 0.5088
aconitic acid 1.5522 0.7916 1.0371 0.4631 0.7202 0.6885 0.9439 0.5029 0.8059 0.9669 0.3997 0.5077 0.7033 1.0072 1.0524 0.9402 0.8545 0.7074 0.8844 0.5652 1.8714 1.2025 3.1547 1.4199 0.4078 0.9138 1.3006 1.2226 1.4312 0.4162 1.5363 1.4707
Adenine NA NA 0.6820 1.0792 0.7117 0.3201 0.4521 0.4722 NA NA 0.8596 1.2113 0.4671 0.6938 NA 0.4922 NA 1.9551 3.0397 NA NA 1.2679 NA 2.6513 0.4968 1.3242 0.6174 NA NA 2.0248 0.4932 0.4996
Adipic acid NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.5946 1.7609 NA 0.5643 NA NA NA 0.6729 NA 0.4073 NA
a-Ketoglutaric acid 3.2060 1.7552 0.4874 1.1546 0.3669 0.6605 0.8783 1.9031 0.2482 0.6738 0.2136 0.1995 0.2163 0.3109 0.1835 0.4058 1.7837 0.4893 2.2580 1.4574 0.9395 2.0625 2.5460 1.5881 0.3143 0.4885 0.6953 0.4096 1.2636 0.4887 0.7480 1.5645
Alanine 0.9533 0.2624 0.9851 1.3552 1.0630 0.8093 0.2936 0.4844 0.5484 0.4865 0.6235 2.4414 0.8207 1.0276 0.5253 0.7490 0.8865 0.7845 2.1620 0.9599 0.9874 1.3031 0.6274 2.1362 1.2777 2.4233 1.0886 0.4744 0.5437 1.5715 0.4896 0.7760
Allantoin NA NA NA 0.1229 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 0.8165 NA NA NA NA NA 2.9376 NA NA
a-mehtylgalactosid NA 0.1219 NA 0.8407 0.9883 NA 0.7506 0.6908 2.8127 0.1562 1.3663 2.1419 1.1317 0.5944 1.6050 0.4289 1.0468 0.8021 1.5234 1.4238 0.9807 0.9423 1.0607 NA NA 1.6472 1.2563 0.4476 0.5031 NA 0.9263 0.2376
arabinose 0.7071 0.4072 0.5188 0.5438 0.9912 0.4814 0.6472 0.5165 0.6930 0.5801 1.2668 1.3906 0.5018 0.5762 0.8779 0.7794 0.8408 1.2793 1.5245 3.3928 0.8544 2.2074 2.3822 1.0743 0.3306 1.8708 1.1224 0.7790 1.3797 0.5705 0.7739 0.8519
arabitol 0.4018 0.2448 0.5254 0.7856 1.0567 0.7192 0.7206 0.9491 2.0719 0.7972 1.4167 2.1606 0.4537 0.6297 1.4015 0.9987 1.5113 0.8948 2.5999 1.4911 1.2299 1.2288 1.1729 1.1036 0.3663 0.7853 0.8144 0.4395 0.7014 0.7821 0.5170 0.9187
Ascorbic acid 1.1484 0.1762 1.2607 2.0922 1.0858 0.3753 0.5208 0.5208 0.1891 0.2357 0.5644 0.3540 0.5608 0.1798 0.5666 0.3423 0.5007 1.6347 3.6901 1.7163 1.4508 1.9690 1.8260 2.1861 0.8424 0.5341 0.8907 0.9147 0.6440 1.9863 0.7175 0.4975
Asparagine NA NA 0.1978 0.1522 0.1698 0.1188 NA NA NA NA NA NA NA NA NA 0.0545 NA NA NA NA NA 1.5868 0.1912 2.3298 0.1957 0.3096 NA NA 1.5011 6.9860 NA NA
Aspartic acid 0.7993 0.7807 0.7344 0.9461 1.9426 1.2895 0.8457 1.0566 0.2685 1.1850 0.2291 0.5268 0.4866 0.5209 0.3506 1.0294 1.6573 1.1623 1.6205 0.7597 2.1646 2.6032 1.0132 1.1169 1.1253 2.2165 1.0177 0.1351 0.3839 0.3550 0.6811 0.3454
a-Tocopherol 1.2685 0.3731 1.0166 0.3801 0.5845 0.5113 0.3649 0.3523 0.7650 0.4315 1.4380 0.2798 0.7524 0.6983 0.6288 0.4283 0.6141 0.7075 3.5620 1.6266 1.1051 1.0571 2.0533 2.0779 0.7661 1.5906 1.6787 1.0094 1.7651 1.2491 0.8501 0.9128
Azelaic acid 0.8577 0.5992 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.5643 NA NA NA NA NA 0.9788 NA
B-ALANINE 0.4380 0.3381 0.5616 0.5131 1.8983 1.0433 1.0991 0.8350 1.7533 1.3403 1.0387 0.3534 0.8797 0.7385 0.9254 1.1179 0.8397 0.7013 0.5137 1.5249 1.1259 1.9358 2.2049 1.2429 0.3046 1.1904 0.9787 0.6883 1.3965 0.2161 1.2862 1.5270
Benzoic acid NA NA NA 0.4300 0.2854 NA NA 0.2484 NA NA NA NA NA NA NA NA NA NA NA 0.4506 1.4374 5.7333 NA NA 0.6783 NA 0.7063 0.2132 0.8326 NA 0.8484 NA
Benzoic acid, 2,6-dihydroxy 0.8668 NA 0.9619 0.7348 0.6648 0.4172 NA NA 0.8068 0.3600 0.7976 1.6031 0.7451 0.4846 0.6821 0.6212 0.6746 0.6444 2.7594 1.1322 1.1360 1.5180 2.0815 2.3143 0.5384 1.2185 1.1786 0.7446 1.6964 1.3494 0.4186 0.6397
b-Sitosterol 0.9551 0.4677 1.3196 0.6705 1.0750 0.6500 0.7195 0.6089 1.2770 0.6082 1.5526 0.6491 0.8215 0.7096 1.0602 0.8149 0.9550 0.6555 2.6381 1.9616 1.1186 1.1914 1.5585 1.1091 0.6581 1.2994 1.1113 0.8195 1.2341 0.7962 0.5897 0.7925
b-Tocopherol 1.4942 NA NA 0.7671 NA NA NA NA NA NA 1.2358 NA NA NA NA NA NA NA NA NA 1.0557 NA NA NA NA NA 0.9728 0.7347 NA NA NA NA
Cadaverine NA NA NA 1.1645 NA NA NA NA NA NA NA NA NA NA NA NA NA 0.2130 NA NA NA NA NA NA NA NA NA NA NA 2.2628 0.1952 NA
CAFFEIC acid 0.7607 0.2500 1.1241 0.5916 1.2732 1.0133 1.4057 0.9729 2.2141 0.7370 1.6000 2.4600 1.1739 0.9334 1.6600 0.9830 1.0009 0.8947 1.5728 1.7596 0.7324 0.7459 0.6262 1.2303 0.6255 0.7254 0.8459 0.5278 0.6047 0.4731 0.3210 0.7396
Campesterol 1.1427 0.4886 1.2360 0.7080 1.0929 0.8187 0.6959 0.6399 1.1670 0.2915 1.6236 1.1497 1.0774 0.7612 1.1828 0.5395 0.8038 0.7232 0.7721 1.8829 1.0195 1.3869 1.4578 1.2816 0.6949 1.7772 1.2980 0.9761 1.4056 0.8628 0.7394 0.9531
cellobiose 0.1452 0.1199 0.2402 0.9869 0.3446 0.8789 1.1516 0.3980 2.4356 0.5210 0.9189 0.3193 0.5679 0.2325 2.1408 0.4489 1.8180 2.0291 1.8319 0.6244 0.9422 0.6298 1.2063 1.0314 0.4496 0.8111 0.7552 0.2605 2.2806 3.6125 1.5485 0.3096
chlorogenic acid 0.5114 NA NA NA 1.8580 0.6365 NA 0.5914 NA 0.7421 NA 1.6248 NA 0.6360 NA 0.9445 NA NA NA NA NA 2.2790 NA 1.7394 0.6527 1.0864 NA 1.0291 NA 0.5753 0.3441 0.8048
Cholesterol 0.9531 0.5671 1.5055 0.6465 1.0082 0.8404 0.9524 0.5405 1.6597 0.7582 1.2801 1.1902 1.0420 0.6715 1.2502 0.6259 0.8432 0.6454 2.4384 1.4696 0.9856 1.0760 1.1249 1.7447 0.6103 1.0454 1.0398 0.9124 1.2562 0.9541 0.6181 0.5889
citraconic acid NA NA 1.7697 1.0736 0.4050 NA NA 0.2729 NA NA 0.8580 0.8500 NA NA NA NA 1.2605 0.7506 1.4365 2.0920 NA 1.6630 NA 0.9139 0.1590 0.8006 NA NA NA NA NA 0.3608
citric acid 1.1413 0.5263 0.8832 1.3218 0.7899 0.5413 0.9838 0.8691 0.4591 0.5725 1.1317 0.8149 0.7323 0.7048 0.7759 0.5649 0.9405 0.7529 3.4053 1.8647 0.9441 1.6449 1.5384 0.6839 0.6571 1.6189 1.0935 1.0044 1.1286 0.3484 0.7092 0.9317
cryptochlorogenic acid 1.5786 0.1016 0.2726 2.1236 0.1224 1.7264 NA 0.5781 2.9143 1.0649 1.6909 1.2951 0.1325 1.1215 0.1947 0.1520 0.5387 NA NA 1.7323 0.4324 0.4597 0.5998 0.5350 NA NA 2.5706 1.1356 0.7299 0.4368 NA 0.3751
CYSTEINE NA NA NA 0.6744 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.6350 NA NA NA NA NA 1.0161 NA NA
Dehydroascorbic acid 0.6610 0.2821 0.5055 0.9881 0.8298 0.4346 0.9793 0.7002 1.5903 0.9735 1.1065 0.8271 0.7044 0.5643 0.8082 0.8640 1.7778 1.0812 0.7340 1.3458 1.1254 1.4792 1.4247 1.9597 0.6379 1.3413 0.8296 0.6663 1.0175 1.9739 0.7896 0.5379
Digalactosylglycerol 0.8583 0.2659 0.3894 0.7813 0.7945 1.3963 0.7274 0.5910 1.3705 1.1111 0.8074 2.4022 1.3696 0.5532 1.3690 0.3594 1.1131 1.2137 1.4912 0.6675 1.6639 1.4100 0.9889 1.3748 0.6396 1.1544 1.6589 0.6288 0.5551 1.1758 0.5923 0.6130
Docosanoic acid 1.6452 0.5516 NA NA 1.2107 0.5249 NA NA 1.1883 0.9057 1.7935 1.4801 0.8145 0.4935 1.5949 0.9376 0.8530 NA 1.1751 NA NA NA 1.3623 NA 0.4830 NA 0.9397 0.9726 1.0545 NA 0.5599 0.7291
Docosanol NA NA NA NA NA NA 1.3317 NA NA NA NA NA 1.2302 NA 1.3546 NA 0.4730 1.1375 NA NA NA NA NA NA NA NA NA NA NA NA NA NA
Dodecanoic ACID 1.1978 0.2669 1.2618 0.3388 0.5340 0.2862 0.5720 0.2194 1.0355 0.5128 1.3435 0.8041 1.1631 0.4245 0.3931 1.1061 0.8265 0.5199 2.9525 1.2029 1.3603 NA 3.4446 1.1383 0.4010 NA 1.3292 0.8059 2.4535 NA 0.9294 0.5761
Dodecanol 0.3346 0.0897 0.1606 0.0584 0.1290 0.1350 0.3152 0.1709 0.8346 0.3793 0.1959 0.8133 0.2287 0.2688 0.4536 0.2934 0.4075 0.4926 0.8167 0.3409 0.5262 0.2890 1.2236 0.8409 0.2446 0.0814 0.3616 0.3192 0.5248 22.9169 0.4377 0.1945
Dotriacontanol 0.3346 0.2473 NA 0.5833 1.5179 0.6801 0.6892 0.3728 0.9183 0.4239 1.7109 0.9748 0.8938 0.4549 0.9699 0.2530 1.1235 0.6031 2.4455 1.6840 0.5183 1.4088 2.3776 1.1903 1.0842 0.8950 1.0309 1.1754 2.3278 0.5470 1.4455 1.1280
Eicosanoic acid NA NA NA 0.7778 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.4045 NA NA 1.0399 NA NA NA NA NA NA NA
Erythritol 0.6504 0.2315 0.7742 1.2088 1.1054 0.7218 1.0567 0.8514 1.6882 0.9281 0.8285 1.9411 0.9778 0.7034 1.2313 0.8555 1.4204 0.8910 1.1235 1.3454 1.4611 1.1649 0.9776 0.8868 0.7400 1.2897 0.6474 0.4212 1.2360 0.8513 0.7550 0.9025
Erythronic acid 0.6977 NA NA NA NA 0.9601 NA NA NA NA NA NA NA 0.4884 NA 0.8902 NA NA NA NA NA NA 3.0338 NA NA NA 1.0597 0.6195 NA NA 0.3007 NA
ERYTHROSE NA NA 0.2695 0.2479 0.1130 0.0725 0.1191 0.0631 NA 0.2128 0.4517 6.4901 0.3466 0.3782 NA 3.0796 0.3165 0.4765 2.8729 0.5145 3.2902 0.2558 1.2024 0.5988 0.2680 NA 0.6222 0.5680 0.9957 1.5769 0.1841 1.1471
ethanolamine 0.7174 0.3449 0.8522 0.7397 1.0209 0.7143 0.8531 0.7741 1.3081 1.0855 1.0166 1.1475 1.0152 0.5603 1.4270 1.0508 1.0866 0.7886 1.0932 1.2102 1.2954 1.5060 1.3968 1.6756 0.6654 1.4105 1.1751 0.7194 0.8419 1.1881 0.5733 0.6942
Ethyl phosphoric acid 1.4642 0.6624 0.5349 1.0709 0.9647 0.6195 0.8690 0.7051 1.0251 0.6408 0.9861 1.5164 0.9038 1.1428 1.2411 1.2922 0.8118 0.5320 1.1493 0.9594 1.0738 1.2620 1.1665 0.8488 0.7609 1.8659 1.0593 0.9786 1.2734 0.7786 0.6940 0.9123
Ferulic acid 1.0320 0.3821 1.3763 0.6355 1.0673 0.7638 0.9004 0.7770 1.1738 1.5559 1.4940 1.7978 0.7919 0.8161 1.1171 1.0521 0.8437 0.8209 1.4386 1.3330 0.8436 1.0165 1.1482 1.2256 0.4790 1.3708 0.9358 0.7094 1.4683 0.7358 0.6343 0.7963
fructose 0.7149 0.2521 0.4898 0.7861 0.9477 0.6886 0.7030 0.6189 1.3145 0.8953 1.5479 1.1200 0.6016 0.5351 1.2005 0.5251 1.3641 0.9173 1.4120 1.6866 1.4475 1.4557 2.0469 1.6899 0.6239 1.4966 0.8519 0.3671 1.4562 1.3715 0.5606 0.7838
Fumaric acid 1.2288 0.6427 0.8749 1.2503 1.0107 0.7711 0.8178 1.0861 0.8197 0.7474 1.1494 1.5790 0.9199 0.7750 1.0929 0.7773 0.8655 0.6675 1.2511 1.2717 0.8998 1.4150 1.7064 1.2447 0.4608 0.9413 1.0532 0.8244 1.7823 0.9584 0.4654 0.7034
galactitol 1.6105 0.4228 NA NA 1.0131 1.2356 NA 0.6268 0.7112 0.8477 0.9300 0.4005 0.9265 0.9488 0.3716 0.5822 1.6062 0.5343 1.5092 0.6425 1.4444 1.0018 0.5553 2.7300 1.3915 NA 1.2628 0.3598 0.9406 1.6229 0.3203 NA
galactose 0.8946 0.3110 0.3903 0.6727 0.7468 0.9893 0.6283 0.4929 1.6354 1.1785 0.8609 1.3591 1.1891 0.4518 2.0571 1.0843 0.8598 1.3759 2.0148 0.8679 2.3794 1.1520 1.3210 1.5520 0.4650 1.1298 0.8405 0.3963 0.8486 1.3027 0.5111 0.5840
galacturonic acid NA 0.1823 NA NA NA NA NA NA NA 0.6315 NA NA NA NA NA 1.6375 NA NA NA NA 1.3636 NA 0.5224 NA NA NA NA NA NA NA 1.0253 NA
Gentiobiose 0.6363 0.1897 NA 0.7083 0.5098 NA NA 0.3523 NA NA 0.9577 NA 0.5386 0.6354 NA 0.8055 NA 0.7987 1.7742 1.1395 NA 1.6543 2.0107 2.6789 NA 2.4283 0.7444 0.6102 NA NA NA 0.5690
Glucaric acid 1.6723 1.1897 0.7067 1.3308 0.9005 0.8436 1.4899 0.7385 0.5243 0.8498 0.7289 3.1724 0.5738 0.5473 0.8924 1.1291 0.6941 0.5394 1.4438 0.6907 2.2082 0.9192 1.0748 1.2967 0.5406 1.2596 1.0158 0.6262 0.5450 0.3262 0.4791 0.8809
GLUCOHEPTULOSE 1.2248 0.2549 NA NA 0.8762 0.8990 0.7332 0.4642 NA 1.1549 0.8992 1.8564 0.7062 0.4876 0.8705 1.4346 1.1169 1.0372 1.7441 0.8140 1.8628 1.2289 1.3249 1.4052 0.4401 1.1011 0.9173 0.5467 0.9068 1.0105 0.5550 0.6579
Gluconic acid 0.6341 0.7843 0.6308 0.6865 0.6119 0.5771 0.7722 0.6570 0.6652 0.4188 1.0292 1.6591 0.9310 0.4436 1.3414 1.0425 0.9654 1.0147 2.0123 1.6163 0.7514 1.2689 1.9335 1.4237 0.5230 1.7215 1.4108 1.1137 1.0937 0.8416 0.6192 0.7004
glucose 0.6870 0.7531 0.5218 0.7221 0.9539 0.6986 0.6962 0.6164 1.6076 0.9661 1.3436 2.1363 0.8024 0.4765 1.3219 1.0025 1.2316 0.9040 1.0130 1.6371 1.3283 1.3189 1.5397 1.3582 0.5527 1.2367 0.7985 0.3576 1.1427 1.3887 0.4435 0.6883
Glutamic acid 1.0192 0.6074 1.0727 0.8614 1.0709 0.6533 0.9250 1.4188 0.1236 1.0380 0.4900 0.5454 0.2897 0.9154 0.3243 0.7081 2.1735 1.1935 2.0655 1.1031 1.6616 1.4326 1.0195 1.1674 0.6688 3.3044 0.4897 0.0566 1.1722 0.8776 0.6163 0.7020
Glutamine NA NA 0.2525 0.2105 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.9197 NA NA NA 0.3131 NA NA NA 3.0938 NA NA
Glyceraldehyde 1.1501 0.9207 0.8555 1.1061 1.3368 0.9755 1.1452 1.0359 0.6184 1.4081 1.4512 0.5016 1.3495 0.3048 1.2252 0.4496 1.4917 1.2192 1.4264 3.1077 1.6161 0.2919 1.1593 1.9119 1.1071 1.9388 0.1614 0.1601 0.1801 0.1339 0.1670 0.8846
Glyceric acid 1.1114 0.5468 0.4572 0.7791 0.8130 0.6475 0.8302 0.7036 1.1038 1.5365 0.8673 0.9880 1.2774 1.2204 1.0422 1.3903 1.3311 0.6220 1.1368 1.2709 1.3777 1.6172 1.3352 0.7914 0.4650 1.3700 1.1464 0.7769 1.0419 0.6522 0.4403 0.6634
glycerol 0.8535 0.5590 0.7310 0.9696 0.8611 0.7078 0.6887 0.5546 1.7162 0.7591 1.0359 2.3440 0.9587 0.5580 1.1832 0.8887 0.8105 0.6877 1.4676 1.2373 1.2491 1.1763 1.1803 1.3011 0.6495 1.5380 1.3453 0.8120 0.8642 1.0321 0.5633 0.7024
Glycerol-3-p 1.3462 1.1982 0.4423 0.7582 1.3942 0.8587 0.6046 0.6763 0.9635 0.8277 0.9318 0.7945 1.2929 1.1717 0.8944 0.8552 0.5083 0.5271 0.7759 0.6985 0.9765 1.3069 1.5263 0.7234 1.1682 3.2315 1.2447 0.9606 1.3709 0.7989 0.8477 0.9575
glycine 0.6295 0.3064 1.5131 1.1392 1.0693 0.0083 1.3279 1.1940 1.0401 0.8216 0.6159 1.2606 1.3770 0.8408 1.3380 1.1741 1.3401 1.0340 1.9446 1.0220 1.7573 1.7632 0.8334 1.0156 0.5652 1.2654 0.4191 0.2138 1.1333 1.2622 0.3062 0.3962
Glycolic acid 0.7389 0.5496 1.3500 0.7266 1.1023 0.7345 0.8897 0.6156 1.6644 0.9061 1.2551 1.2042 1.1369 0.5267 1.6034 0.7316 1.2993 0.6834 1.6413 1.4295 1.1487 1.1745 1.5096 0.8382 0.9109 1.0283 0.8543 0.7107 1.3423 0.7908 0.4902 0.8004
glyoxylic acid 0.3756 0.8250 1.1298 0.9773 1.8609 0.3027 1.2670 0.9133 1.9590 1.1315 1.5708 0.9851 0.6360 0.6841 0.3126 0.5899 2.0353 0.9952 0.7137 1.8558 0.6757 2.4952 0.4282 1.0506 0.6381 2.0497 0.5209 0.6486 0.5200 1.4434 0.0616 0.2240
g-Tocopherol 0.8848 0.4401 0.8711 0.8610 1.1317 0.9843 0.4925 0.5062 1.0170 0.5550 1.3847 1.2483 0.7706 0.8460 1.2334 1.1930 0.7656 0.9016 1.2373 1.3598 1.5803 1.4274 1.6557 2.3729 0.5201 0.6230 0.9908 0.7133 1.0078 0.7458 1.1239 0.7443
Guanine NA NA NA 0.4898 NA NA NA NA NA NA NA NA NA NA NA 0.2843 NA NA NA NA NA 2.0719 NA 1.2228 0.8594 2.4714 NA NA NA 0.8264 NA NA
Guanosine 0.3873 0.3833 0.4276 0.5202 1.1477 2.0223 0.3481 0.8711 0.9297 1.4775 0.1965 1.3513 1.9664 0.9134 0.8129 0.8332 0.3357 1.3416 1.0708 1.5152 1.9437 2.3522 0.9489 3.4297 1.2513 1.9163 0.5226 0.3976 0.3127 0.2870 0.4138 1.1610
gulonic acid 1.8063 0.8328 0.5909 0.5754 0.6856 2.2439 0.4706 0.3717 0.3890 1.1413 0.4813 1.9684 1.4553 0.3925 2.0859 0.3062 0.9565 0.4350 2.0064 0.8031 0.8791 0.9768 2.1224 2.1072 0.7580 0.9374 1.2156 0.6443 0.8565 0.7008 0.7851 0.9650
Heptadecanoic acid 1.0403 0.4625 1.6747 0.5097 0.8835 0.5532 0.7842 0.3021 2.1675 0.8156 1.5221 1.4859 0.7186 0.5743 1.3253 0.9493 0.9194 0.5434 1.5978 1.2843 1.0963 1.5289 1.8871 0.7349 1.7247 0.8432 0.8460 0.8975 1.0456 0.5464 0.7807 0.7306
Hexacosanoic acid 1.0809 0.6560 NA NA 1.0631 0.8715 1.2097 0.4956 0.2997 0.8334 0.9332 0.8726 0.7623 1.7336 0.3748 1.1346 0.6968 0.5602 1.2347 NA 0.8349 0.8693 1.9328 0.6741 1.3033 1.1962 1.3497 1.0116 1.8410 0.9862 0.9143 1.0932
Hexacosanol NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.3171 NA NA NA NA NA NA 0.6829 NA
Hexadecanoic acid 0.7956 0.6493 0.6159 0.5462 1.1294 0.6293 0.9273 0.6787 2.2083 0.9833 1.5150 1.6660 0.7815 0.5743 1.7019 0.8338 1.0981 0.6415 1.0147 1.8262 1.0343 1.2044 1.5621 0.8507 0.7688 0.9213 1.2202 0.7997 1.1486 0.6775 0.5203 0.7772
HEXADECANOIC ACID, methyl ester 0.6282 NA NA 0.4390 NA 0.9902 0.4491 NA 0.4803 0.3833 1.2148 0.4757 1.5521 0.4980 1.0200 0.6147 0.8214 0.8312 1.5118 NA 1.2210 NA NA 1.4071 1.2274 1.8874 1.9170 0.7213 NA 2.4354 0.4816 NA
Hexadecanol NA 0.7044 NA 0.7216 0.8830 NA NA NA 2.2013 NA 0.7673 NA 0.7430 NA 1.2243 1.0205 NA 0.5224 1.0524 NA 0.7849 0.3111 2.0637 NA NA 1.5161 1.0327 1.1354 1.4759 NA 0.2055 0.8595
inositol 0.8568 0.3147 0.4216 0.5843 0.8772 0.9609 0.7192 0.5305 1.1210 1.0032 0.9827 1.1404 0.9549 0.5191 1.3164 0.4921 1.0584 1.0321 2.4797 1.2398 1.8706 1.2272 1.3384 1.9215 0.7496 1.4204 1.1495 0.5236 0.9646 1.4261 0.7052 0.8141
Inositol-2-p 2.0896 0.7152 0.8441 0.8319 1.6354 1.2422 0.6924 1.0021 0.6494 1.9584 0.7661 1.0267 1.1988 1.2920 0.7859 0.6150 0.5783 0.5434 0.9576 0.1803 0.8697 1.9575 1.4677 0.9983 0.5329 1.7822 1.1620 0.7563 1.1421 0.8060 0.7753 0.9580
isoleucine 0.3754 0.5263 0.6663 0.5571 0.5570 0.3072 0.3284 0.2383 0.4335 1.0448 0.5978 2.7942 0.8077 0.6250 1.0332 0.9477 0.8924 1.3369 2.1083 1.6409 0.8596 1.1535 1.1736 3.3156 1.1517 1.8551 1.0720 0.6466 0.6675 1.7872 0.6243 0.4054
isomaltose 0.8180 0.6161 0.7048 0.7659 0.9694 0.7677 0.8603 0.6364 1.5447 0.3831 1.1489 0.5566 0.9161 0.4993 0.5762 0.6007 1.0439 0.9672 2.3676 0.9840 2.2381 1.0956 0.9186 1.9730 1.1745 1.4910 0.8444 0.3697 1.5287 1.6432 0.7083 1.0329
Itaconic acid 1.0898 0.7956 0.8517 0.6770 0.8158 0.7454 0.7572 0.3869 1.1982 0.9968 0.7348 1.2445 0.8447 0.9508 1.1532 1.2073 0.7940 0.6017 0.8129 0.6438 1.5482 0.3603 3.7622 1.0948 0.6020 0.3602 1.1856 0.9598 1.6646 0.3692 1.2982 1.6288
lactic acid 0.6222 0.6173 0.5539 0.3639 0.4935 0.4564 0.4449 0.4215 0.8576 1.3664 1.0285 1.6213 0.8473 0.4919 0.8223 0.3568 4.8238 0.3283 0.8903 0.8879 1.2500 1.2212 1.2786 1.0008 0.6188 1.1459 0.7055 0.5186 1.4328 1.3954 0.3792 0.5075
Lactose NA 0.4427 NA NA 0.5547 0.5197 0.3183 0.5319 2.2612 0.1936 1.7444 NA 0.4596 NA NA 0.5844 1.2753 NA 2.9661 NA 1.2828 2.4857 1.2499 1.3875 0.3588 NA 0.5072 NA 1.1735 NA NA 0.3358
leucine 0.7692 0.0928 0.3091 0.3878 0.6725 0.6561 0.1661 0.4473 0.5084 0.6810 0.5947 0.5396 0.9866 0.8697 0.6962 0.6002 0.3893 1.1079 2.7049 1.7329 0.8887 2.8363 1.1160 3.3301 0.4824 2.4722 1.0682 0.4916 0.7225 3.9019 0.7806 0.5518
Lysine NA NA 0.3440 0.3543 0.2711 0.3130 0.0275 0.2480 0.3034 NA 0.1641 0.2953 0.1915 NA 0.1540 0.1742 0.2884 0.5965 1.4183 0.0938 NA 4.1069 NA 4.6557 1.8306 4.7058 0.4535 NA NA 4.2988 NA 0.4410
Maleic acid 1.8094 0.2948 3.2027 0.6994 NA NA NA NA NA NA NA NA 0.7140 NA 0.4847 NA NA NA NA NA NA NA NA 1.1885 NA NA 0.9643 0.6166 NA NA 0.9065 0.4555
malic acid 1.4617 1.0498 1.0418 0.7307 1.1069 0.6444 0.8455 1.1271 0.7912 0.7520 0.9966 0.6683 0.5164 0.9019 0.8940 0.8028 1.0972 0.6125 1.0873 1.5042 1.1389 2.1298 0.4441 0.9771 0.4226 1.4029 1.3338 0.7959 2.2687 0.6417 0.6822 1.1655
Maltose 0.7750 0.4274 0.4502 0.9558 0.7723 0.8884 0.7800 0.5680 1.8859 0.9993 1.1659 1.1218 1.1057 0.5814 1.0197 1.0152 1.2906 1.2631 1.2402 1.0344 1.6537 1.0573 1.0822 1.4432 0.5919 1.2086 0.8139 0.3155 1.1424 2.0956 0.5827 0.5971
mannitol 1.2798 0.5288 0.5443 1.0369 1.1249 0.9706 0.7754 0.7123 0.7959 0.8288 1.4469 0.8228 0.6789 0.6496 1.2090 0.4163 0.6998 0.8396 1.1264 2.1190 1.3610 0.9575 1.6902 1.6541 0.4966 1.3612 1.5478 0.7119 1.1442 1.4287 0.6664 0.6734
mannose 0.2821 0.3129 0.2310 0.6041 0.4324 0.3774 0.2474 1.0232 3.4093 0.9619 1.8037 0.3552 2.5309 0.3431 2.5386 0.9918 0.6752 0.3770 1.1936 2.5063 1.7553 0.3706 0.7923 0.4482 0.4078 0.7493 0.8811 0.8343 0.6685 3.4352 0.9098 0.3986
Melibiose 0.9597 0.1863 0.2071 0.3646 0.5116 0.3498 0.4478 0.4218 1.0981 0.3163 0.6004 0.7645 0.3525 0.4539 0.6542 0.7096 0.8892 0.9260 0.6570 3.9957 1.5823 2.0191 1.4094 1.8596 1.6070 4.1948 0.8034 0.6339 1.3957 1.9215 0.6460 0.2945
Methylmaleic acid 2.2267 0.7206 0.9307 NA NA NA NA NA 1.7488 0.9755 1.4370 1.4838 0.9608 0.7064 1.1873 0.8908 NA NA NA NA NA NA 1.9733 NA 0.1267 NA 0.5579 0.4047 0.7059 NA 0.5144 NA
mimosine 0.8777 0.3764 0.4135 0.8693 0.8846 0.5615 0.9802 0.8690 1.8468 0.9977 0.8764 1.8081 0.9453 0.5772 1.0731 0.8599 1.7996 1.1159 1.3281 0.6641 1.2639 1.4055 0.4900 1.0752 0.6157 1.8877 1.2619 0.7416 0.5615 1.2416 0.3462 0.5938
Monomethylphosphate 2.7439 0.7377 0.2496 0.6384 1.9103 1.5588 0.6870 1.4563 0.7557 1.6796 0.7494 0.9418 1.5559 0.8823 2.5792 1.6143 0.6685 0.3359 0.7183 0.4878 1.0072 1.4844 0.7937 0.4207 0.2550 0.9295 0.8118 0.5831 0.8835 0.5404 0.5317 1.0751
N-a-Acetyl-L-Lysine 0.4405 NA NA NA 0.7068 1.2201 0.3787 0.5057 1.2296 0.8374 1.0298 1.0304 1.3400 0.8480 1.2275 0.5864 0.5346 0.8322 1.3184 1.6745 2.1836 NA 1.3148 NA NA NA 1.4049 0.4901 0.9585 NA 0.9792 1.4025
N-Acetyl glucosamine 0.7790 1.0534 0.7855 1.0068 0.7377 0.8779 0.6996 1.1573 0.7168 0.4686 0.9865 1.2288 0.6414 0.6801 1.1615 1.0946 0.7921 0.5024 1.1324 0.8815 1.3856 2.2403 0.7582 2.3971 1.1358 1.2500 1.1058 0.8457 0.9588 1.3254 0.6483 0.5658
N-Acetylglutamic acid 1.1710 0.5989 0.7000 0.4180 2.0826 1.1793 0.3651 1.0111 0.5486 1.0660 0.6437 0.8054 0.6507 1.7331 0.3330 1.2124 0.8078 0.7331 1.4096 1.2308 1.9269 1.0293 2.5894 0.6149 0.6152 1.0389 0.9626 0.3745 2.2132 0.3657 1.0677 1.1006
neochlorogenic acid 0.8767 0.4165 0.3582 0.5293 1.2403 0.7729 0.9378 0.9914 0.7224 1.0166 0.7653 0.9686 0.7107 1.0712 0.8919 1.1721 0.9907 1.0837 1.6630 1.0077 1.2180 2.0377 1.5746 0.9686 1.1703 1.2415 1.0526 0.6493 1.3177 0.6584 0.9756 1.2039
NICOTINIC ACID 0.9688 0.6389 0.7682 0.9785 0.9883 0.7548 0.8544 0.8558 1.2419 0.7091 1.4735 0.8825 0.8770 0.7275 0.7726 0.7579 1.2211 0.9543 0.7474 0.5902 1.1624 1.7653 1.3901 1.5398 0.7383 1.7870 1.2585 0.9385 0.8964 1.2838 0.5969 0.6642
Nonanoic acid 0.7321 0.4551 0.3285 0.6648 0.1820 0.7057 0.5633 0.3074 1.3811 NA 1.3429 1.0843 NA 0.3680 2.6844 0.9610 NA 0.3403 1.6318 NA 0.8865 3.3084 NA NA NA 0.7321 1.2604 NA 1.8587 0.4683 0.8667 NA
O-Acetyl-L-serine NA NA NA 0.8220 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.5628 NA NA NA 0.7932 NA NA
O-acetylsalicylic acid 0.6025 0.4735 0.8242 0.7191 0.7178 0.4358 0.4750 0.6679 0.9832 0.7082 1.3039 0.5415 0.7878 0.6591 0.8984 0.7609 0.9160 0.6993 2.2704 1.3607 1.5935 1.8387 1.8274 1.2658 0.7679 1.8764 1.4458 0.8396 1.8224 0.7270 0.5339 0.8144
Octacosanoic acid 2.0767 0.9573 NA NA 0.9758 0.3131 0.9155 1.1855 NA NA NA NA 0.8667 2.1470 NA 1.6646 NA 0.1655 NA NA 0.3194 NA 0.6969 1.2631 1.0511 1.9009 0.7665 0.4989 0.6670 0.9337 0.6325 0.5712
Octacosanol NA NA NA NA NA 1.2126 NA NA NA NA NA NA NA 0.4944 NA NA NA NA NA NA NA NA NA 1.5341 NA NA NA NA NA NA 0.7589 NA
Octadecanoic acid 0.7804 0.7092 0.7596 0.5809 1.0904 0.6617 1.0980 0.7443 1.0691 1.1907 1.3435 0.9660 0.8363 0.5579 1.1212 0.8648 0.7867 0.6609 1.0677 1.3062 1.0842 1.5237 1.5453 0.9719 2.6264 1.1963 1.1715 0.8386 1.2916 0.8827 0.5579 0.7107
Octadecanol 1.7708 0.6724 NA 0.7559 NA 0.8475 NA 0.6244 0.6940 0.6042 0.7649 1.0508 0.9301 0.7384 0.9817 0.6985 0.8681 NA 1.6276 1.1200 1.7071 NA 2.5034 NA NA NA 0.9305 1.1060 1.4113 NA 0.6397 0.6998
OXALIC ACID 1.3707 0.9651 1.6789 1.3694 2.4286 1.0361 0.9710 2.0168 0.8776 1.5743 1.4484 1.5186 1.6528 1.3337 2.2131 0.9725 0.4317 0.5204 0.1702 0.4232 1.0759 1.1960 0.3402 1.0650 0.2531 0.6372 0.7803 0.8436 0.2982 0.1305 0.3406 0.5126
Panthotenic acid NA NA NA NA NA NA NA NA NA NA NA NA NA 0.5590 NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.7512 NA NA 0.6898
p-Coumaric acid 1.5422 0.9218 1.3685 0.8465 1.0275 0.8220 0.9995 0.8549 1.1186 0.6523 1.4811 0.6539 1.1949 0.7347 1.8825 0.8758 0.6563 0.4664 1.6856 1.1964 0.8364 0.7591 1.4143 0.6780 0.3454 0.8991 1.8235 0.7666 1.5754 0.5580 0.4642 0.6967
Pentacosanoic acid NA NA NA NA NA NA NA NA NA NA NA NA NA 0.9898 NA NA NA NA NA NA NA NA NA NA 1.5717 NA NA NA NA NA 0.4386 NA
Pentadecanoic acid 0.4661 0.9550 0.7571 NA NA NA NA NA NA 1.1207 1.4958 NA NA NA 0.9694 0.8203 NA NA NA NA 1.0719 NA 2.1872 NA 0.6687 NA NA 0.9644 0.9456 NA 1.0322 0.7253
Phenylalanine 0.3891 0.4407 0.4453 0.4008 0.7511 0.3152 0.2842 0.3932 0.7160 0.3139 0.5354 0.4968 0.9745 0.7876 0.2492 0.4267 0.7960 0.9463 2.4258 0.5060 0.6306 2.7836 3.2453 2.9350 1.2305 3.4087 1.0210 0.9330 0.8837 3.0743 0.2748 0.3413
phosphoric acid 0.9563 0.7638 1.0639 0.7413 0.9689 0.8525 0.9145 0.8755 1.1554 0.8709 0.9407 0.9613 0.9026 0.8996 1.3872 1.0082 0.7958 0.6938 1.5646 0.7528 1.2453 1.3532 1.6266 1.0755 0.6779 1.6391 1.0311 0.8299 1.2556 0.8988 0.7405 0.9809
Phytol 1.4245 0.2554 1.4054 0.8925 0.6112 1.4479 0.5358 0.3724 0.9888 1.1627 1.0457 0.4189 2.2307 0.3829 1.8979 0.6262 0.5505 1.0015 1.9854 0.9317 2.0453 1.4384 1.0369 0.9982 1.1804 0.7188 0.9110 0.8040 0.9425 1.5722 0.5778 0.6265
PIPECOLIC ACID NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.3739 NA 1.5810 NA NA NA 0.0451 NA NA NA NA NA NA NA
PROPAN-1,2-DIOL NA NA NA 0.2130 NA NA NA NA NA NA NA 2.6614 NA NA NA NA NA NA 2.3194 1.8224 NA NA 0.6432 0.8154 NA NA 1.1479 0.6285 0.6569 NA 0.3961 0.3349
Propanoic acid, 2-oxo-3-hydroxy NA NA NA 0.5264 0.8484 0.6546 NA NA NA NA 1.2547 1.7459 0.7257 0.6774 0.8048 1.1469 NA NA 1.7888 NA 1.0400 NA 1.2547 0.8235 0.4435 1.4288 1.5741 0.8497 0.8333 NA 0.4709 0.8605
Protocatechuic acid NA NA NA NA NA NA 1.2002 1.0569 NA NA 1.2277 NA NA 0.8410 NA NA 0.6157 NA NA NA NA 1.4269 NA NA NA NA NA 1.0713 0.9604 NA 1.1010 0.8833
Putrescine 0.3038 0.1695 0.8949 0.9007 0.8613 0.7026 0.5914 0.4577 1.4395 0.9845 2.9941 0.6931 1.2226 0.3831 1.5173 0.6755 0.8082 0.6792 0.6126 3.1290 0.9596 0.8218 1.3799 1.7800 0.4938 1.1869 0.6428 0.3641 1.8592 2.4826 0.4955 0.4860
pyroglutamic acid 0.9783 0.7102 0.7883 0.8231 1.3070 0.8083 0.7618 0.8825 0.7952 0.9762 0.8801 0.9586 1.0691 0.7402 0.9721 0.5155 0.9756 0.9657 1.6128 0.6571 1.8198 2.1874 1.3357 2.2534 0.8609 1.8958 0.6842 0.3836 1.0489 1.2659 0.4555 0.6326
Pyrrole-2-carboxylic acid 0.7580 NA NA 0.4806 0.6677 0.5363 0.7284 0.5377 1.2946 0.6019 1.0329 1.4671 1.6581 0.4153 1.3879 0.7533 0.9432 0.4546 1.6704 NA 1.0507 1.5533 1.1613 2.0079 0.7001 1.0005 1.7361 0.6897 0.7991 NA NA NA
pyruvic acid 1.1087 0.6339 0.8355 0.8947 1.0855 0.7834 0.9397 0.2409 0.6046 1.4314 0.5947 1.3905 1.6413 0.6689 0.9033 0.6559 0.5996 0.8459 2.1586 1.0007 1.3692 1.2710 1.8704 1.2038 0.6885 0.9470 1.2503 0.5330 1.6440 0.6670 0.8316 1.3061
quinic acid 0.5195 0.6440 0.3212 0.5526 1.4282 0.9093 0.9843 0.9778 1.3066 1.1253 1.3472 1.2170 1.2182 0.7248 1.7832 1.0352 0.9672 0.8234 1.3214 0.9375 1.5277 1.5849 1.5552 1.1566 0.7760 1.0406 0.9363 0.5701 0.8411 0.4912 0.8286 1.0567
Raffinose 0.8279 0.4473 0.6416 0.5271 0.7250 1.2718 0.5333 0.4793 0.7423 1.1446 0.4457 1.6346 0.9474 0.3770 1.3466 0.6812 0.7609 1.1175 2.6513 0.9166 2.8191 0.8826 1.3373 1.8696 1.1704 1.4624 1.3931 0.5867 0.9222 1.3497 0.2742 0.3515
ribitiol 0.7425 0.2429 0.2738 0.5831 1.2293 0.9041 0.6304 0.5164 0.9970 0.8694 1.0373 1.0332 0.9097 0.4878 1.0384 0.5050 0.7714 1.0084 2.8540 1.5471 1.6582 1.4407 1.7310 1.9278 0.6651 1.2276 0.9873 0.4130 1.6681 1.7291 0.7319 0.7923
Ribose 1.1904 0.5753 0.6919 0.4657 1.2727 0.8175 0.8269 0.7948 1.0202 1.0852 1.1415 0.9573 1.0012 0.6969 1.3428 0.7763 1.0058 0.8431 1.2382 1.7650 1.4213 1.5677 1.5947 1.1244 0.4844 1.4493 1.2300 0.7278 1.1322 0.6993 0.6642 0.9181
Salicylic acid 0.5300 NA 0.5982 0.6397 0.7066 1.1091 0.3521 NA 0.4332 0.7498 1.1885 1.1810 1.2413 0.7408 1.4261 0.7158 NA 0.3914 1.8012 0.2071 1.2848 2.4410 NA 2.0272 0.4898 1.8372 1.1180 1.6016 0.4923 1.6149 0.7255 0.8822
Salicylic acid-glucopyranoside NA NA NA NA 0.4538 0.1682 0.1103 0.2226 NA NA NA 2.0775 NA NA NA 0.1930 1.2262 0.3486 1.3172 NA 1.1247 NA 2.0846 0.8614 0.1014 NA NA NA 2.8185 1.7092 1.2865 1.4773
Sedoheptulose 0.7379 0.8948 0.8012 0.9381 0.7303 0.7851 0.7782 0.7689 0.6817 1.2315 1.0915 1.6436 1.5568 1.0476 0.8175 1.1206 0.5819 0.9736 2.6001 1.9313 1.0549 0.8887 1.2765 1.5776 0.6337 0.7046 0.7621 0.4099 1.2265 1.1341 0.5834 0.6331
Serine 0.7090 0.5358 0.8251 0.5951 0.8886 0.7330 0.4267 0.6621 0.8603 0.6103 0.5385 0.8817 0.5824 0.8236 0.4952 0.6476 1.2203 1.1091 1.4269 1.2248 2.1563 1.9884 1.5170 2.8383 0.8203 1.7256 0.8654 0.3784 0.9275 2.3713 0.6675 0.6193
shikimic acid 0.6328 1.0257 0.9895 0.7730 1.0918 0.6934 0.8490 0.8251 1.2139 0.9343 0.9457 0.9766 0.9012 0.6933 1.4278 0.9724 1.0854 0.7289 1.4988 0.7599 1.6148 1.5466 1.5102 1.4549 0.5384 1.1811 1.2460 0.7623 0.6140 0.5318 0.9196 0.9847
Sinapic acid 0.7310 0.2326 0.5727 0.8882 0.6496 0.5698 0.7628 0.6422 0.6765 0.5769 1.8186 0.9926 0.8856 0.9294 0.7632 0.8911 0.7684 0.8413 2.1806 0.8004 1.0513 1.8219 1.5533 1.4604 1.2199 2.2476 0.8713 0.6732 1.4112 1.1385 1.0004 0.9583
Stigmasterol 1.0325 0.4702 0.5502 0.5630 0.9624 0.5641 0.5588 0.4937 1.6653 0.8574 1.6812 1.2016 1.4624 0.5690 0.6963 0.4677 0.7234 0.6070 0.8132 1.5449 1.8859 1.6733 1.8491 1.3072 0.7895 1.5053 1.3037 1.3217 1.5331 0.8224 0.6932 0.7736
Succinic acid 0.8743 0.5226 0.4678 0.5967 1.1830 0.6674 0.7822 0.7734 1.1884 1.0220 0.9603 0.9955 1.3645 0.6600 1.3302 0.8886 1.0033 0.7504 1.9170 1.1639 1.2251 1.7646 2.0918 0.8436 0.9124 0.9487 0.9381 0.7928 1.5169 0.6993 0.7486 0.9800
sucrose 0.9616 1.4262 1.0608 1.3775 1.0580 0.8224 1.0133 1.0512 0.6737 1.4402 0.5778 1.3761 1.0267 0.5600 0.6883 0.7241 1.4298 1.1204 1.5950 0.8463 1.7168 1.0300 0.9656 0.9182 0.5256 1.0134 0.9562 0.3773 0.9847 1.0282 0.3901 0.7768
syringic acid 0.5132 NA NA 0.5453 NA 0.4153 NA NA NA NA 1.4067 0.3024 0.4638 0.3984 0.5199 1.0549 1.5756 0.4578 1.3780 NA 0.7994 1.1414 3.0757 1.4088 0.5835 1.5642 NA 1.3100 1.1419 1.2205 0.6795 0.8680
Tetracosanoic acid 1.0949 0.5046 0.7755 NA 0.9932 0.7741 0.9368 0.7002 NA 0.7267 NA NA 1.0108 1.1166 1.3092 1.0153 0.8737 0.6845 NA NA 0.9506 1.2944 1.3989 NA 1.6274 NA 1.2136 0.7517 1.3398 NA 0.8230 0.9819
Tetracosanol 0.6332 NA NA NA NA NA 0.8985 0.8685 NA NA 1.4119 1.3349 0.8215 NA 0.6739 0.7819 NA NA NA NA NA NA NA NA NA NA NA 2.0344 0.9798 0.5476 NA 1.2322
Tetradecanoic acid 1.6862 0.3969 1.1411 1.5066 0.4643 0.2461 1.5532 0.2800 0.7796 0.4082 0.5866 2.6446 0.3062 0.2646 0.5194 0.7529 0.4339 0.2966 1.4462 0.4912 0.5217 0.6043 3.5249 0.5661 1.1528 0.3715 1.2623 2.5739 3.1312 0.2967 0.4720 1.3626
Tetradecanol NA NA 1.0780 NA NA NA 0.8208 NA 0.8461 0.7279 1.0596 1.2154 NA NA 1.1202 1.1529 0.8415 0.8208 1.0918 1.1333 0.5997 1.0196 1.0980 1.1794 NA NA 1.0400 NA 0.9145 NA NA 1.2062
Tetratriacontanol NA NA NA 0.2432 NA 0.2944 NA 0.2048 NA 0.4821 NA 0.6399 NA 0.2282 NA 2.3591 NA NA NA NA NA NA 0.4351 NA 1.6744 NA 0.3562 3.1974 NA 2.1074 1.3011 0.5183
Threitol 0.4582 0.4043 0.6456 0.6336 0.8145 0.5743 0.8894 0.7671 0.5394 0.6654 0.9931 0.8007 0.8657 0.6667 0.9180 0.8186 1.5808 0.9122 2.0172 1.1315 1.1055 2.4800 1.4505 1.5486 0.6952 1.2435 1.2346 0.5037 1.3045 1.1344 0.9128 1.0231
threonic acid 0.8282 0.9527 0.6383 0.7725 1.2874 0.9830 1.0991 0.9139 0.9835 1.0611 0.9772 1.2616 0.8173 0.8658 1.1949 0.8874 1.2111 0.7908 1.4553 1.1411 1.2463 1.8276 1.3973 0.7996 0.3886 1.1732 1.1417 0.6884 1.0806 0.5426 0.5106 1.0685
Threonic acid lactone 0.6505 0.3893 0.6482 0.8743 1.2727 0.9357 1.0695 0.9887 1.4032 0.9852 0.9633 1.1375 0.9067 0.8382 1.1175 0.6898 1.2268 1.0217 1.6758 1.0996 1.2669 1.9797 1.3231 0.7371 0.4485 1.1220 1.0519 0.6422 1.2276 0.7997 0.7415 0.9228
Threonine 0.7687 0.2100 0.5720 1.8457 0.7888 0.5717 0.1785 0.4441 0.7357 0.5341 0.5273 0.8445 0.5545 0.7790 0.4203 0.7106 1.2882 1.1318 1.6866 1.6528 1.2953 1.8956 1.0288 2.1590 0.9035 2.0659 0.9261 0.3662 0.9537 2.0727 0.6263 0.6914
Thymine 0.6177 NA NA 1.3651 NA 0.5505 NA NA 0.6002 NA 0.8487 0.4344 0.1807 NA 0.1620 0.5396 NA 0.4867 2.7824 0.9869 NA 1.2412 0.7087 3.7022 0.7700 1.9034 NA 0.7138 NA 0.9281 NA 0.5731
trehalose 0.2407 NA 0.5141 0.4897 0.3831 1.0732 0.5954 0.6942 1.6210 1.3340 NA 0.9106 1.9497 NA 0.3409 0.4977 1.3361 1.4084 1.6482 NA 1.4213 2.1651 NA 2.2307 0.5074 NA 0.4231 NA 0.9051 1.8495 1.0246 0.6897
Triacontanoic acid 1.3805 0.7093 NA NA 0.5784 1.1466 0.1558 0.7113 NA 0.3794 NA NA 0.7266 1.1103 NA 0.9995 0.8609 0.3049 NA NA NA 1.6351 1.9601 1.4879 1.0048 2.2077 0.6876 1.3010 1.1586 1.3824 0.6787 0.8845
Triacontanol 0.3924 0.3261 0.5416 0.6227 0.6110 0.9620 0.6415 0.2947 0.4670 0.4707 0.8017 1.2678 0.8570 0.6086 0.9542 0.6146 1.4800 0.4455 2.3618 1.0394 5.5645 1.2775 3.7254 0.9965 0.2949 0.5748 0.8033 0.4321 1.3749 0.7174 0.3688 0.5892
Tricosanoic acid NA NA NA NA 0.5136 0.6492 NA NA NA NA NA 1.5696 NA 1.2638 NA 0.8512 1.1953 NA NA NA NA NA NA 0.5742 1.1354 NA 1.2494 NA NA NA 0.7026 NA
Tritriacontanol 1.2421 NA NA 1.1723 NA NA NA NA NA NA NA NA 1.0876 0.7026 NA 1.0473 NA NA NA NA NA NA NA NA NA NA NA NA NA NA 0.5284 NA
tryptophan NA NA 0.7473 0.8115 NA NA NA NA NA NA NA NA NA NA NA 1.1419 NA NA NA NA NA 1.0966 NA 2.0264 0.3478 0.6883 NA NA NA 1.1866 NA NA
TYRAMINE NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.2170 NA NA NA NA NA 0.7830
Tyrosine NA NA 0.3091 0.3249 0.2935 0.0905 NA NA 0.3865 NA 0.2265 0.4112 0.2282 NA 0.2454 NA NA 0.2488 1.4810 NA NA 2.8054 NA 2.9079 1.2555 3.3152 0.5786 NA NA 2.9881 NA NA
Uracil NA NA NA 0.7229 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 1.5542 NA NA NA NA NA NA NA NA NA NA NA NA
urea NA NA 1.2809 1.3044 0.1357 NA NA NA 0.6123 0.2610 0.6870 0.2852 0.0364 0.0332 0.0439 0.3087 0.5106 0.0900 1.0199 1.4641 0.7878 3.5840 0.1884 2.2117 1.2358 6.0012 0.5864 NA 0.4717 2.8449 NA 0.3046
Uridine 1.4320 0.4722 0.0647 0.8945 1.4178 1.0670 0.8148 0.8318 1.0479 1.0152 1.3428 1.2276 1.1876 1.0163 1.3456 1.0358 0.7421 0.7350 1.0183 0.9297 1.5376 0.8545 1.8487 0.6159 0.3476 1.2385 1.1795 0.7626 1.4916 0.4665 1.1779 0.9883
Valine 0.4554 0.0482 0.3375 0.3946 0.6599 0.5284 0.1339 0.4875 0.5454 0.3730 0.7130 0.3913 0.8489 0.7946 0.5307 0.7113 1.2330 0.9520 1.1689 2.0203 1.3355 1.9023 1.6173 3.1398 1.0816 2.5492 1.4388 0.6047 0.9405 2.7564 0.7389 0.7894
Vanillic acid 0.9021 0.4716 0.6546 0.6060 1.0195 0.6377 0.8745 0.7757 0.9164 0.7398 1.4794 1.5955 0.6559 0.8017 0.6160 0.7597 1.1542 0.6228 1.9006 0.9757 1.0150 1.4055 1.7232 1.1032 0.6644 1.6570 1.0161 0.7140 1.2381 1.4544 1.6942 0.6192
vanillin 1.2896 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 0.7842 NA NA NA NA NA 0.9262 NA
Xylitol 0.9295 0.7555 0.7570 0.9194 1.6604 1.0530 1.1535 0.8523 0.9297 1.0319 0.9977 1.2937 1.0215 0.5131 1.3737 0.8922 0.9475 0.8733 1.1947 1.2047 1.6343 0.8432 0.6801 0.8987 0.8219 1.4413 1.1567 0.5027 1.4799 0.9605 0.6221 0.6885
XYLONIC ACID LACTONE 0.6324 NA NA 1.2013 1.3050 NA NA NA NA 0.5091 1.1365 NA NA 1.3688 NA 0.9222 NA 0.9043 1.6234 0.2583 1.2245 0.5500 0.7847 1.0938 NA 1.0387 NA NA NA 0.5153 2.1950 0.6132
Xylopyranoside NA NA NA 0.8329 2.4603 0.3768 0.9496 1.2252 1.3225 0.3835 1.4663 0.6204 0.3622 1.0375 0.6618 0.6250 1.7013 0.8901 1.2190 1.7013 0.7361 1.2339 1.0647 1.0438 0.2875 0.6922 1.3088 0.8932 0.6119 1.2963 1.0602 0.4674
Xylose 0.8133 0.2180 0.2460 0.3524 0.6383 0.4861 0.4469 0.3571 1.1042 0.6213 0.9073 0.7149 0.5243 1.2502 0.7808 0.5750 0.8913 0.6293 3.9954 1.9252 1.0213 1.3733 1.5825 1.0473 0.4829 2.7720 0.8886 0.9187 1.8200 1.6401 0.7658 1.5031
Run Hierarchial cluster analysis on this study | Run Heatmap cluster analysis on this study

Factors:

F1Treatment:Control- ambient temperature and ambient [CO2] | Ring:1 | Time Point (days):30
F2Treatment:Control- ambient temperature and ambient [CO2] | Ring:1 | Time Point (days):50
F3Treatment:Control- ambient temperature and ambient [CO2] | Ring:2 | Time Point (days):30
F4Treatment:Control- ambient temperature and ambient [CO2] | Ring:2 | Time Point (days):50
F5Treatment:Control- ambient temperature and ambient [CO2] | Ring:3 | Time Point (days):30
F6Treatment:Control- ambient temperature and ambient [CO2] | Ring:3 | Time Point (days):50
F7Treatment:Control- ambient temperature and ambient [CO2] | Ring:4 | Time Point (days):30
F8Treatment:Control- ambient temperature and ambient [CO2] | Ring:4 | Time Point (days):50
F9Treatment:elevated [CO2] + ambient temperature | Ring:1 | Time Point (days):30
F10Treatment:elevated [CO2] + ambient temperature | Ring:1 | Time Point (days):50
F11Treatment:elevated [CO2] + ambient temperature | Ring:2 | Time Point (days):30
F12Treatment:elevated [CO2] + ambient temperature | Ring:2 | Time Point (days):50
F13Treatment:elevated [CO2] + ambient temperature | Ring:3 | Time Point (days):30
F14Treatment:elevated [CO2] + ambient temperature | Ring:3 | Time Point (days):50
F15Treatment:elevated [CO2] + ambient temperature | Ring:4 | Time Point (days):30
F16Treatment:elevated [CO2] + ambient temperature | Ring:4 | Time Point (days):50
F17Treatment:elevated temperature + ambient [CO2] | Ring:1 | Time Point (days):30
F18Treatment:elevated temperature + ambient [CO2] | Ring:1 | Time Point (days):50
F19Treatment:elevated temperature + ambient [CO2] | Ring:2 | Time Point (days):30
F20Treatment:elevated temperature + ambient [CO2] | Ring:2 | Time Point (days):50
F21Treatment:elevated temperature + ambient [CO2] | Ring:3 | Time Point (days):30
F22Treatment:elevated temperature + ambient [CO2] | Ring:3 | Time Point (days):50
F23Treatment:elevated temperature + ambient [CO2] | Ring:4 | Time Point (days):30
F24Treatment:elevated temperature + ambient [CO2] | Ring:4 | Time Point (days):50
F25Treatment:elevated temperature + elevated [CO2] | Ring:1 | Time Point (days):30
F26Treatment:elevated temperature + elevated [CO2] | Ring:1 | Time Point (days):50
F27Treatment:elevated temperature + elevated [CO2] | Ring:2 | Time Point (days):30
F28Treatment:elevated temperature + elevated [CO2] | Ring:2 | Time Point (days):50
F29Treatment:elevated temperature + elevated [CO2] | Ring:3 | Time Point (days):30
F30Treatment:elevated temperature + elevated [CO2] | Ring:3 | Time Point (days):50
F31Treatment:elevated temperature + elevated [CO2] | Ring:4 | Time Point (days):30
F32Treatment:elevated temperature + elevated [CO2] | Ring:4 | Time Point (days):50
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