Metabolite_name RefMet_name F1 F10 F11 F12 F13 F14 F15 F16 F17 F18 F19 F2 F20 F3 F4 F5 F6 F7 F8 F9 G1 G10 G2 G3 G4 G5 G6 G7 G8 G9 H1 H10 H2 H3 H4 H5 H6 H7 H8 H9 J1 J10 J11 J12 J13 J14 J15 J16 J17 J18 J19 J2 J20 J3 J4 J5 J6 J7 J8 J9 K1 K10 K2 K3 K4 K5 K6 K7 K8 K9 L1 L10 L11 L12 L13 L14 L15 L16 L17 L18 L19 L2 L20 L3 L4 L5 L6 L7 L8 L9 S1 S10 S2 S3 S4 S5 S6 S7 S8 S9 T1 T10 T2 T3 T4 T5 T6 T7 T8 T9 U1 U2 U3 U4 U5 U6 U7 U9 V1 V10 V2 V3 V4 V5 V6 V7 V8 V9 X1 X10 X2 X3 X4 X5 X6 X7 X8 X9 Y1 Y10 Y2 Y3 Y4 Y5 Y6 Y7 Y8 Y9 Factors - type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma type:Nistplasma 107941_cholesterol_offRI 0.5064 0.4964 0.3352 0.5018 0.5178 1.2682 0.7571 0.9005 0.9609 0.8980 1.0272 0.8988 0.8914 0.8954 0.9876 0.8971 0.9387 0.7323 0.6706 0.8200 1.0891 0.7804 0.9634 0.9273 0.6601 0.8525 0.6905 0.8626 0.8454 0.8547 0.8293 0.8583 0.8300 0.8345 0.8629 0.8556 0.8364 0.8388 0.8460 0.8520 0.8518 0.8362 0.8691 0.8364 0.8597 0.5121 0.5365 0.5096 0.4971 0.4758 0.6540 0.5110 0.5362 0.5313 0.6545 0.8455 0.8319 0.8514 0.8591 0.8474 0.8508 0.8460 0.8516 0.6926 0.8471 0.8048 0.8335 0.8254 0.8455 0.8672 0.7811 0.8432 0.8641 0.8481 0.7984 0.7404 0.8883 0.9208 0.9436 0.9918 0.8726 0.8817 0.9467 0.9800 1.0396 0.9007 1.1256 0.9514 0.9887 0.8426 0.8834 0.9378 0.9680 0.8961 0.9038 0.5982 0.6686 0.5875 0.5683 0.6078 0.6124 0.9551 0.5917 0.9086 0.9993 0.9343 0.9283 1.0213 0.9043 0.9073 0.8968 0.8993 1.0362 0.9010 0.8884 0.9660 0.8930 0.9295 0.9122 0.8781 0.8914 0.8808 0.8959 0.8858 0.8904 0.8921 1.0784 0.8997 0.9174 0.8855 1.0089 0.8875 0.9017 1_3_Diaminopropane 0.7678 0.8444 0.8575 0.8572 0.8496 0.7641 0.8511 0.8478 0.8562 0.8431 0.7603 0.8350 0.7919 0.8532 0.8424 0.8467 0.8365 0.7577 0.8483 0.7700 0.6238 0.4014 0.7629 0.7995 0.8251 0.8736 0.7741 0.7865 0.7966 0.4784 0.7913 0.4419 0.4269 0.3926 0.4975 0.4631 0.4498 0.4206 0.4069 0.8691 0.4680 0.6860 0.8703 0.8624 0.8713 0.8553 0.8762 0.8690 0.8490 0.8803 0.8736 0.8556 0.8658 0.8691 0.8562 0.8751 0.8389 0.7750 0.8636 0.8320 0.8085 0.8325 0.8320 0.8245 0.8337 0.8244 0.8294 0.8021 0.8183 0.7691 0.6927 0.6815 0.7746 0.7122 0.7442 0.7546 0.7299 0.7366 0.6865 0.7188 0.6978 0.7203 0.6918 0.7359 0.5615 0.7028 0.7802 0.7440 0.7511 0.4922 0.7909 0.4656 0.4420 0.8862 0.7920 0.6631 0.4677 0.4867 0.4995 0.7740 0.5989 0.4586 0.8672 0.4374 0.4193 0.4394 0.7741 0.7821 0.7043 0.7004 0.6224 0.6995 0.7878 0.8557 0.4706 0.4524 0.8856 0.7690 0.7896 0.7746 0.7912 0.4925 0.7872 0.7791 0.8612 0.5046 0.5022 0.7435 0.4289 0.7813 0.7370 0.7648 0.6757 0.5123 0.6406 0.7893 0.7600 0.4735 0.6933 1_3_dihydroxypyridine 0.6757 0.6315 0.6447 0.6488 0.6426 0.6601 0.6386 0.6563 0.6741 0.6481 0.6570 0.6548 0.6654 0.6454 0.6407 0.6368 0.6472 0.5360 0.6324 0.6258 0.9416 0.6394 0.6879 0.7485 0.6773 0.8048 0.6866 0.6869 0.6816 0.6697 0.6711 0.6314 0.6944 0.6627 0.6821 0.7426 0.7508 0.6499 0.6750 0.6430 0.7085 0.6265 0.6790 0.6919 0.6854 0.6761 0.6876 0.6820 0.6742 0.6644 0.6775 0.6986 0.6830 0.7060 0.6980 0.7037 0.6971 0.7016 0.7217 0.6922 0.6813 0.6899 0.6807 0.6768 0.6769 0.6790 0.6854 0.6699 0.6943 0.6733 0.6752 0.6653 0.6111 0.6828 0.6252 0.6935 0.6786 0.6200 0.7899 0.6292 0.6921 0.6802 0.6744 0.6360 0.6314 0.7195 0.6165 0.6736 0.6889 0.6928 0.6893 0.7219 0.6619 0.6551 0.8387 0.7042 0.6971 0.5973 0.6078 0.6746 0.6720 0.5515 0.4929 0.7795 0.6292 0.6205 0.6917 0.6647 0.6844 0.6026 0.5965 0.5996 0.5978 0.5083 0.5675 0.5135 0.6562 0.6038 0.6782 0.7596 0.6262 0.6222 0.7971 0.7000 0.6878 0.6861 0.6809 0.6784 0.6881 0.6836 0.7338 0.5995 0.6033 0.6105 0.6241 0.6933 0.6371 0.6629 0.6965 0.5422 0.6150 0.8467 0.7013 0.6864 0.6910 0.6663 0.7095 0.5922 1_5_Anhydro_D_glucitol 0.6253 0.6157 0.6438 0.6337 0.6188 0.6288 0.6138 0.6291 0.6459 0.6214 0.5643 0.6231 0.5693 0.6370 0.6003 0.5932 0.5235 0.5514 0.6128 0.6009 0.8248 0.5362 0.6792 0.7421 0.7337 0.8338 0.7266 0.7199 0.7330 0.6602 0.6530 0.6355 0.5538 0.5213 0.5479 0.6999 0.6356 0.6450 0.5964 0.5338 0.6439 0.5638 0.6079 0.6729 0.6565 0.6673 0.6663 0.6528 0.6479 0.6684 0.6779 0.6252 0.6775 0.6345 0.6324 0.6349 0.6442 0.6512 0.6175 0.6883 0.6081 0.5859 0.5128 0.5017 0.5778 0.5107 0.5102 0.6006 0.5024 0.5981 0.7202 0.7010 0.7197 0.7296 0.7357 0.7451 0.7291 0.7468 0.5132 0.7223 0.7179 0.6988 0.7399 0.7134 0.7214 0.5504 0.7041 0.7530 0.7305 0.6750 0.6058 0.7156 0.6381 0.6514 0.8174 0.7074 0.6539 0.6544 0.6636 0.7318 0.7096 0.7561 0.6244 0.8029 0.5569 0.5857 0.6225 0.6565 0.7367 0.7372 0.5856 0.5630 0.5721 0.4745 0.5937 0.4812 0.8426 0.5812 0.6829 0.7902 0.6266 0.6417 0.7706 0.6835 0.6843 0.7020 0.7045 0.6797 0.7179 0.7542 0.8324 0.6089 0.6368 0.6221 0.6013 0.7609 0.6077 0.7563 0.6743 0.7272 0.5921 0.7215 0.6804 0.7209 0.7103 0.6978 0.6057 0.6280 1_5_anhydroglucitol 0.9276 0.9380 0.9302 0.9233 0.9407 0.9432 0.9319 0.9294 0.9271 0.9173 0.9357 0.9233 0.9347 0.9396 0.9374 0.9291 0.9272 0.9553 0.9373 0.9336 1.0213 0.9086 0.9715 1.0422 0.9737 1.1260 0.9894 0.9828 0.9731 0.9179 0.9685 0.8986 0.8898 0.8868 0.9293 0.8489 0.8820 0.8885 0.9578 0.8902 0.9743 0.8878 1.0185 0.9643 0.9748 0.9282 1.0152 0.9307 0.9554 0.8664 0.9258 1.0219 0.9696 0.9321 0.9307 0.9402 0.9639 0.9197 0.9170 0.9229 0.9228 0.9165 0.9224 0.9156 0.9149 0.9174 0.9121 1.0116 0.9642 0.9688 0.9980 0.9971 1.0024 0.9956 0.9913 0.8692 0.9816 0.9597 0.9680 1.0056 1.0034 1.0021 0.9109 0.9771 1.0136 1.0027 0.9512 0.8775 0.9623 1.0015 0.9102 1.0666 0.9625 0.9354 1.0435 0.9158 0.9599 0.9700 0.9004 1.0694 0.9329 0.9597 0.9588 0.8984 0.9665 0.9645 0.9585 0.9797 0.9478 0.9326 1.3135 0.8760 0.9904 1.0925 0.9959 0.9921 1.1062 0.9859 0.9916 0.9785 0.9766 0.8984 0.9818 0.9668 1.0378 0.9709 0.9978 1.0010 0.9616 0.9622 0.9312 0.9747 0.9582 0.9677 0.9544 0.9680 0.9572 0.9619 0.9532 0.8214 0.9544 0.9353 1_6_Anhydro_beta_D_Glucose 0.7232 0.7356 0.7487 0.7446 0.7462 0.7420 0.7346 0.7471 0.7539 0.7318 0.7345 0.7292 0.7477 0.7476 0.7343 0.7169 0.7288 0.7505 0.7333 0.7246 0.8608 0.5670 0.7994 0.8500 0.7872 0.9177 0.7981 0.8039 0.8005 0.6964 0.7786 0.6558 0.5617 0.5274 0.5518 0.7372 0.6038 0.6485 0.6210 0.5184 0.7634 0.5787 0.7919 0.7910 0.7826 0.7775 0.7912 0.7835 0.7837 0.8000 0.7994 0.7656 0.6878 0.7697 0.7786 0.7862 0.7770 0.7949 0.7449 0.7865 0.6999 0.7065 0.7114 0.7126 0.7098 0.7154 0.7073 0.7074 0.7116 0.7065 0.7581 0.7503 0.7657 0.7627 0.7661 0.6956 0.7748 0.7755 0.5507 0.7684 0.7439 0.7482 0.7652 0.7614 0.7779 0.5911 0.7524 0.7861 0.7651 0.7361 0.5865 0.7235 0.6612 0.6844 0.8750 0.7069 0.7065 0.6789 0.6749 0.7256 0.7675 0.7997 0.6631 0.7747 0.6016 0.6351 0.6613 0.6701 0.7788 0.7324 0.6362 0.5828 0.6437 0.4961 0.5631 0.6178 0.8410 0.6447 0.7858 0.8753 0.6687 0.6618 0.8305 0.7827 0.7246 0.7937 0.7947 0.7057 0.7790 0.7892 0.8419 0.6489 0.6763 0.6118 0.6402 0.7763 0.6477 0.7971 0.7196 0.7598 0.6554 0.7339 0.7662 0.7867 0.7706 0.6571 0.6735 0.6004 16_Hydroxyhexadecanoic_acid Juniperic acid 0.8528 0.8552 0.8460 0.8443 0.8566 0.8513 0.8489 0.8549 0.8582 0.8504 0.8988 0.8580 0.8775 0.8906 0.8567 0.8554 0.8725 0.8620 0.8620 0.8595 1.1951 1 0.9999 1.0701 0.9995 1.1486 1.0020 1.0017 1.0003 1.0004 1.0003 1.0011 1 1 1 1.0009 1 1.0007 1 1 1.0002 1 1.0012 1.0001 1.0004 1.0001 1.0004 1.0001 0.9994 1.0015 1.0001 1.0002 1.0005 1.0002 1.0001 1.0006 0.8430 1.0009 1.0002 1.0003 0.8394 0.8373 0.8423 0.8431 0.8382 0.8433 0.8343 0.8371 0.8375 0.8347 0.9945 0.9983 0.9978 0.9960 0.9964 0.9957 0.9966 0.9967 1 0.9969 1.0007 1.0006 0.9954 0.9952 0.9954 0.9998 1.0009 0.9950 0.9951 1.0002 1 1.0001 1.0009 1.0031 1.1187 1.0001 1.0001 1.0051 1.0049 1.0005 1 1.0980 1.0011 1.1043 1 1.0001 1 1.0009 1.0003 0.9999 0.6323 0.6864 0.7170 0.6275 0.7101 0.7057 1 0.7255 1.0004 1.1113 1.0003 1.0003 1.1310 1.0002 1.0001 1.0003 1.0003 0.9995 1.0012 1.0001 1.0821 1.0003 1.0014 1.0013 0.9999 0.9999 1.0001 1.0013 1.0003 1.0012 1.0001 1.1168 1.0001 0.9999 1.0001 1.0026 1.0001 1.0003 1_Aminocyclopropane_1_carboxylic_acid 1-Aminocyclopropanecarboxylic acid 0.7920 0.7966 0.7943 0.8079 0.8181 0.7796 0.8962 0.7994 0.9176 0.7917 0.6250 0.4966 0.7725 0.5336 0.7139 0.7375 0.7711 0.8164 0.7022 0.7081 0.7435 0.6719 0.6691 0.6218 0.5485 0.5193 0.4632 0.6415 0.5633 0.6281 0.5519 0.4999 0.8133 0.5274 0.6630 0.8141 0.8132 0.8128 0.8130 0.5436 0.8124 0.8036 0.7253 0.8102 0.6128 0.4991 0.6076 0.5011 0.8523 0.8116 0.8218 0.8433 0.8327 0.8421 0.8343 0.8340 0.5350 0.8194 0.7629 0.8380 0.8333 0.8356 0.7046 0.7540 0.8510 0.8379 0.6826 0.5974 0.6685 0.6729 0.6622 0.7637 0.6727 0.6929 0.6420 0.6953 0.6586 0.6964 0.6391 0.7285 0.5205 0.6573 0.5516 0.6698 0.6715 0.6492 0.6516 0.6517 0.5295 0.6118 0.4579 0.6897 0.6563 0.7548 0.8351 0.6515 0.6551 0.7663 0.6798 0.6911 0.7046 0.7458 0.6545 0.6795 0.6670 0.8169 0.6797 0.6176 0.6435 0.6910 0.6927 0.6685 0.7173 0.6824 0.6856 0.6944 0.6777 0.6819 0.6716 0.6821 0.6508 0.6953 0.6536 1_Kestose Kestose 0.3833 0.3353 0.3557 0.3542 0.3827 0.3292 0.3425 0.3308 0.3221 0.3685 0.3632 0.3216 0.3530 0.3272 0.3966 0.3742 1.2585 0.7238 0.8908 0.9467 0.8915 1.0135 0.8901 0.8769 0.8830 0.9679 0.6551 0.5694 0.7762 1.0666 0.7282 0.9396 0.8843 0.6697 0.7271 0.5469 0.5052 0.7215 0.7288 0.7182 0.7212 0.4037 0.3684 0.3977 0.4189 0.3792 0.3250 0.3429 0.3653 0.3599 0.3539 0.5384 0.4779 0.4245 0.5587 0.7058 0.7430 0.7897 0.7937 0.7120 0.6982 0.7704 0.8061 0.8754 0.8534 1.0766 0.9268 0.9506 0.7927 0.8671 0.8789 0.9173 0.8470 0.8575 0.3479 0.4112 0.3032 0.3848 0.3296 0.3642 0.3430 0.8991 0.9811 0.9420 0.9434 1.0042 0.8885 0.8904 0.8813 0.8859 1.0244 0.8662 0.8504 0.9310 0.8659 0.9233 0.9147 0.8576 0.8567 0.6951 0.8595 0.8583 0.8634 1.0569 0.8754 0.8651 0.8412 0.9624 0.8578 1_Methyladenosine Methyladenosine 0.5401 0.5129 0.4972 0.5981 0.4769 0.4685 0.4654 0.4269 0.4713 0.6226 0.4352 0.5319 0.4401 0.5129 0.5516 0.4278 0.6007 0.4483 0.5715 0.5803 0.7657 0.4380 0.6872 0.7326 0.6886 0.7812 0.6940 0.6960 0.6862 0.6681 0.6641 0.6463 0.4537 0.4570 0.5086 0.7238 0.5062 0.6566 0.5693 0.4626 0.5009 0.5375 0.5557 0.5305 0.5305 0.5648 0.5374 0.5331 0.4337 0.4477 0.4461 0.5344 0.5213 0.5428 0.5419 0.5360 0.5724 0.5516 0.4557 0.5658 0.5609 0.6073 0.6151 0.6016 0.5437 0.5159 0.6091 0.6462 0.5108 0.5386 0.4338 0.5435 0.5439 0.5383 0.5370 0.5533 0.5382 0.4781 0.5350 0.4905 0.5340 0.5579 0.5512 0.5561 0.5309 0.4694 0.5572 0.5793 0.5664 0.5986 0.6486 0.5983 0.5765 0.5543 0.5864 0.5464 0.6651 0.6624 0.6357 0.7283 0.4970 0.6405 0.5701 0.5994 0.6637 0.6653 0.4120 0.4273 0.4256 0.3991 0.4407 0.4062 0.6312 0.4632 0.6841 0.7604 0.6722 0.6520 0.7749 0.7000 0.6886 0.6782 0.6891 0.6831 0.6559 0.6611 0.7113 0.6264 0.6005 0.5978 0.6143 0.6629 0.5433 0.6522 0.6441 0.6387 0.6164 0.6492 0.6554 0.6682 0.6395 0.6422 0.6274 0.6204 1_methylgalactose 0.5041 0.5359 0.6847 0.6737 0.7011 0.6860 0.6906 0.5375 0.7007 0.6752 0.6766 0.6851 0.6872 0.5604 0.6661 0.7025 0.6585 0.5398 0.7166 0.6860 0.6823 0.4176 0.5265 0.5899 0.7091 0.8090 0.5578 0.5545 0.5590 0.5030 0.5012 0.4986 0.4331 0.4266 0.5084 0.6260 0.4724 0.5670 0.5207 0.4730 0.5766 0.4272 0.5969 0.5465 0.6200 0.6035 0.5955 0.5645 0.6330 0.6118 0.5940 0.6178 0.5987 0.5936 0.6068 0.5978 0.5823 0.5262 0.5204 0.6418 0.6695 0.6482 0.5378 0.7006 0.6518 0.6911 0.6794 0.6419 0.6423 0.6023 0.5779 0.5910 0.5784 0.5376 0.5920 0.5961 0.5663 0.5134 0.5572 0.5446 0.5560 0.5925 0.5668 0.6231 0.5616 0.6072 0.5780 0.4952 0.4841 0.5382 0.5085 0.6396 0.5515 0.5325 0.5083 0.5221 0.5434 0.5770 0.6338 0.5866 0.4509 0.4963 0.4984 0.5794 0.5517 0.4388 0.4374 0.4684 0.4227 0.3711 0.4967 0.5803 0.6011 0.5336 0.5776 0.4260 0.6186 0.6132 0.6117 0.6008 0.6504 0.6411 0.7542 0.5571 0.5061 0.4728 0.6730 0.4882 0.5455 0.5271 0.4987 0.5325 0.5939 0.5562 0.5231 0.5056 0.5071 0.5371 1_Methylhistamine Methylhistamine 0.8195 0.8272 0.6462 0.8349 0.8467 0.8428 0.8303 0.8426 0.8539 0.8257 0.5797 0.8320 0.5779 0.8394 0.8326 0.6311 0.8288 0.8474 0.8284 0.8186 1.0197 0.6345 0.8053 0.7595 0.7043 0.9269 0.8132 0.8085 0.8095 0.7897 0.8030 0.7605 0.6184 0.6132 0.6655 0.8672 0.5845 0.7718 0.7378 0.6206 0.8233 0.5768 0.8260 0.8160 0.8224 0.8098 0.8196 0.8051 0.8131 0.8232 0.8220 0.8146 0.6805 0.8150 0.8076 0.8194 0.8121 0.8233 0.7926 0.8147 0.8323 0.8302 0.8308 0.8330 0.4589 0.8297 0.8241 0.8245 0.8266 0.8230 0.7996 0.7674 0.7771 0.7831 0.7825 0.5853 0.7821 0.7843 0.5513 0.7811 0.7726 0.7765 0.7921 0.7777 0.7980 0.5980 0.7758 0.7982 0.7780 0.7653 0.6922 0.8067 0.7258 0.7655 0.8923 0.8023 0.8016 0.7585 0.7708 0.8435 0.7921 0.8654 0.7372 0.8778 0.7702 0.6855 0.7019 0.7409 0.7933 0.8018 0.4693 0.7645 0.4579 0.4810 0.5792 0.6705 0.8623 0.8172 0.8949 0.7651 0.7699 0.9160 0.8090 0.8123 0.8033 0.8089 0.8454 0.8101 0.8051 0.8698 0.6876 0.7330 0.7276 0.6845 0.7948 0.6962 0.8004 0.6679 0.8014 0.7985 0.8446 0.8052 0.6698 0.7994 0.7900 0.8092 0.7046 1_methylhydantoin 0.7491 0.7595 0.7792 0.7799 0.7672 0.7360 0.7690 0.7673 0.7728 0.7670 0.7001 0.7561 0.7280 0.7711 0.7608 0.7662 0.7557 0.6808 0.7635 0.7598 1.1532 0.7497 0.7716 0.8348 0.7620 0.8895 0.7707 0.7728 0.7657 0.8696 0.7734 0.8227 0.7440 0.7513 0.7891 0.9696 0.7477 0.8379 0.8443 0.7475 0.7620 0.7181 0.7702 0.7633 0.7541 0.7273 0.7519 0.7667 0.7605 0.7579 0.7727 0.7643 0.7545 0.7585 0.7386 0.7562 0.7667 0.7504 0.7660 0.7545 0.7681 0.7498 0.3298 0.3963 0.7599 0.7622 0.7567 0.3968 0.7487 0.7553 0.7386 0.7693 0.7749 0.7491 0.7564 0.7502 0.7544 0.6862 0.5241 0.7567 0.7631 0.7737 0.7462 0.7461 0.7582 0.7688 0.7708 0.7487 0.7384 0.7608 0.7895 0.6951 0.8315 0.8595 0.8733 0.7785 0.7890 0.8640 0.8702 0.9608 0.7731 1.0411 0.8214 0.8548 0.7826 0.7750 0.8499 0.8684 0.7779 0.7793 0.6246 0.8136 0.6548 0.6593 0.6256 0.6858 0.6564 0.7697 0.8578 0.8127 0.8283 0.8831 0.7775 0.7800 0.7782 0.7735 0.9377 0.7678 0.7776 0.8271 0.7838 0.8225 0.8082 0.7776 0.7702 0.7867 0.7558 0.7725 0.7770 0.7732 1.0004 0.7780 0.7833 0.7815 0.9126 0.7693 0.8003 1_monoolein MG 18:1 0.4000 0.3952 0.3802 0.4046 0.3629 0.4071 0.3645 0.4068 0.4340 0.4008 0.4250 0.3269 0.4153 0.4138 0.4034 0.7008 0.5679 0.7419 0.6831 0.7984 0.4761 0.6908 0.6750 0.7921 0.4352 0.7722 0.4502 0.5885 0.5131 0.4499 0.7476 0.5856 0.4133 0.4106 0.4145 0.4987 0.6494 0.6555 0.5997 0.3993 0.6346 0.6554 0.7219 0.4045 0.9496 0.7007 0.7443 0.4870 0.5107 0.5928 0.6049 0.6700 0.4142 0.6699 0.7219 0.6756 0.6933 0.6916 0.6770 0.6944 0.6910 0.7059 0.6805 0.7000 0.6675 0.4157 0.6537 0.3979 0.6725 0.4011 0.6408 0.8588 0.5082 0.6395 0.4393 0.7724 0.5424 0.6396 1_monopalmitin MG 16:0/0:0/0:0 0.4955 0.5035 0.5982 0.5302 0.5090 0.5231 0.4999 0.5076 0.5236 0.5075 0.6315 0.5742 0.6399 0.5039 0.5016 0.5561 0.5733 0.5322 0.5059 0.4939 1.0646 0.6306 0.7574 0.8167 0.7660 0.8830 0.7775 0.7669 0.7647 0.8374 0.7580 0.7079 0.6267 0.5782 0.6593 0.8992 0.7208 0.8153 0.7563 0.6641 0.6490 0.6205 0.6790 0.6612 0.5910 0.5830 0.6751 0.6629 0.6593 0.6905 0.6142 0.6549 0.6520 0.6022 0.6631 0.6610 0.6509 0.6934 0.6418 0.6107 0.5637 0.5883 0.5671 0.5580 0.5719 0.5723 0.5728 0.5946 0.5847 0.5488 0.6139 0.6058 0.6155 0.6083 0.6218 0.6267 0.6083 0.6160 0.6002 0.6277 0.5896 0.6063 0.6004 0.6088 0.6379 0.5712 0.6127 0.6371 0.6223 0.5805 0.6644 0.7508 0.7791 0.8077 0.8083 0.7230 0.7332 0.8059 0.8246 0.9130 0.7174 0.9367 0.7760 0.8040 0.6536 0.7350 0.7502 0.8013 0.7305 0.7366 0.5053 0.6114 0.4809 0.5295 0.4841 0.5377 0.8539 0.4778 0.7576 0.8469 0.7991 0.8015 0.8645 0.7642 0.7636 0.7558 0.7588 0.8807 0.7344 0.7383 0.7736 0.7389 0.7772 0.7703 0.7346 0.7281 0.7587 0.7335 0.7114 0.7255 0.6554 0.8034 0.7240 0.7201 0.7170 0.8258 0.7206 0.7453 2_1_methyl_2_pyrrolidinyl_pyridine 0.8138 0.8300 0.8464 0.8471 0.8436 0.8340 0.8510 0.8547 0.8606 0.8411 0.7927 0.8215 0.8212 0.8357 0.8259 0.8197 0.8316 0.8123 0.8208 0.8109 0.9548 0.8452 0.7795 0.8310 0.7697 0.8962 0.7722 0.7812 0.7769 0.8857 0.7520 0.7681 0.8414 0.8573 0.9128 1.0436 0.8681 0.7763 0.9520 0.8513 0.8190 0.7937 0.8156 0.8238 0.8249 0.8153 0.8219 0.8223 0.8180 0.8272 0.8279 0.8107 0.8224 0.8219 0.8122 0.8221 0.8185 0.8255 0.7992 0.8145 0.8242 0.8173 0.8266 0.8283 0.8246 0.8051 0.8298 0.8204 0.8210 0.8227 0.7434 0.7853 0.7858 0.7400 0.7791 0.7958 0.7796 0.7785 0.6258 0.8035 0.7889 0.8004 0.8144 0.7848 0.7858 0.7664 0.7970 0.7381 0.7848 0.7946 0.9863 0.7713 0.7399 0.7804 0.8623 0.7672 0.7641 0.8081 0.8263 0.9875 0.7526 1.1222 0.7686 0.8437 0.8822 0.7538 0.9607 0.8054 0.7586 0.7672 0.5705 0.9422 0.7592 0.6259 0.7428 0.7039 0.9299 0.6650 0.7688 0.8489 0.7646 0.7844 0.8646 0.7660 0.7726 0.7580 0.7626 0.9560 0.7831 0.7751 0.8412 0.7341 0.7744 0.7613 0.7330 0.7769 0.6947 0.7731 0.7739 0.7692 0.7678 1.0615 0.7800 0.7887 0.7839 0.8824 0.7793 0.7246 2_3_Bisphospho_glyceric_acid 0.7890 0.7733 0.7278 0.7572 0.7696 0.7227 0.7184 0.7722 0.7852 0.7870 0.7984 0.7814 0.7817 0.7805 0.7037 0.7842 0.7791 0.8164 0.7780 0.7804 0.7581 0.5150 0.6264 0.6636 0.6015 0.8112 0.7104 0.6971 0.6336 0.5804 0.6444 0.5278 0.5332 0.5027 0.5219 0.7136 0.5766 0.5428 0.6083 0.5387 0.6519 0.4911 0.6866 0.6490 0.6402 0.6438 0.6381 0.6500 0.6460 0.6753 0.6526 0.6451 0.6533 0.6462 0.6510 0.6450 0.6333 0.6575 0.6546 0.6397 0.7674 0.7329 0.8195 0.7864 0.7836 0.7374 0.8284 0.8226 0.7056 0.8182 0.6221 0.6224 0.6295 0.6258 0.6245 0.6251 0.6290 0.6319 0.5057 0.6166 0.6079 0.6322 0.6150 0.6101 0.6218 0.6106 0.6181 0.6194 0.6202 0.6109 0.5887 0.6267 0.5613 0.5865 0.7070 0.6269 0.6308 0.6068 0.6085 0.6103 0.6153 0.6733 0.5353 0.6960 0.5099 0.6027 0.5528 0.5697 0.6755 0.6153 0.4698 0.5708 0.4837 0.4840 0.4915 0.4550 0.7376 0.5050 0.6181 0.7050 0.5528 0.5624 0.7816 0.6921 0.6442 0.6209 0.5956 0.6330 0.6239 0.6134 0.5472 0.5463 0.5520 0.5906 0.6950 0.5994 0.6957 0.6356 0.6360 0.6237 0.6485 0.6257 0.6339 0.6349 0.5846 0.6309 0.5188 2_5_Dihydroxybenzoate 0.6148 0.4965 0.5651 0.5476 0.6092 0.6273 0.6208 0.6053 0.6162 0.5725 0.6869 0.6514 0.5970 0.5359 0.5926 0.5199 0.6151 0.6086 0.5713 0.5510 1.0980 0.8121 0.7066 0.7572 0.6954 0.8312 0.7243 0.7148 0.7291 0.8420 0.6922 0.7655 0.8436 0.7915 0.7928 0.9451 1.0589 0.8114 0.8639 0.7952 0.7050 0.8520 0.7201 0.7143 0.7146 0.7306 0.7410 0.7310 0.7126 0.7209 0.7073 0.7168 0.7057 0.7159 0.7201 0.7463 0.7211 0.7475 0.7376 0.7232 0.6441 0.6242 0.5778 0.6762 0.6281 0.5620 0.6423 0.6386 0.6087 0.6080 0.7018 0.7107 0.7252 0.6919 0.7150 0.7078 0.7082 0.6926 0.8475 0.7164 0.7192 0.7466 0.7103 0.7088 0.7220 0.7397 0.7380 0.6869 0.7144 0.6870 0.9996 0.7471 0.9397 0.9489 0.8826 0.7886 0.7888 0.8449 0.8424 0.9951 0.7009 1.0118 0.7790 0.7911 0.8022 0.6852 0.8621 0.8033 0.6931 0.6991 0.3901 0.5644 0.3947 0.4298 0.3662 0.4872 0.8233 0.4038 0.7225 0.7813 0.7737 0.7744 0.8075 0.7156 0.7289 0.7225 0.7247 0.8905 0.6879 0.7149 0.7825 0.7228 0.7669 0.7538 0.6987 0.7010 0.8937 0.6670 0.7244 0.6838 0.6891 1.0006 0.7151 0.7259 0.7198 0.8517 0.7134 0.7148 2_5_dihydroxypyrazine_ 2,5-Dihydroxypyrazine 0.6628 0.5619 0.5594 0.5496 0.5653 0.5508 0.5576 0.5535 0.5397 0.5161 0.6785 0.5796 0.6264 0.6055 0.6421 0.5682 0.5880 0.5703 0.5690 0.4243 0.5271 0.5917 0.5345 0.6470 0.5566 0.4993 0.5343 0.3578 0.4126 0.3992 0.5192 0.3200 0.6546 0.4365 0.6030 0.6173 0.6097 0.6242 0.6107 0.6331 0.6087 0.5512 0.6310 0.6253 0.6020 0.6219 0.6329 0.6138 0.6287 0.5795 0.5281 0.5960 0.5797 0.6736 0.6734 0.5758 0.5401 0.5244 0.5560 0.3847 0.7032 0.6331 0.6424 0.5869 0.5337 0.4871 0.6858 0.5426 0.5694 0.4924 0.5491 0.5087 0.6319 0.5647 0.5196 0.4981 0.5473 0.5625 0.5424 0.4704 0.3880 0.3638 0.4178 0.4929 0.5592 0.4197 0.5021 0.3932 0.5940 0.4737 0.6346 0.5409 0.4941 0.5178 0.5157 0.4320 0.5896 0.5220 0.5125 0.4598 0.5541 0.4274 0.5272 0.4461 2_Aminobutyric_acid 2-Aminobutyric acid 0.9461 0.9458 0.9514 0.9329 0.9424 0.8337 0.9424 0.9501 0.9645 0.9624 0.9576 0.9486 0.9523 0.9469 0.9446 0.9562 0.9462 0.9116 0.9486 0.9495 0.8571 0.5775 0.7488 0.8016 0.7533 0.8704 0.7605 0.7680 0.7598 0.6486 0.7654 0.5979 0.6176 0.5623 0.5561 0.7158 0.6426 0.6487 0.6236 0.5614 0.7691 0.5454 0.8242 0.7786 0.7713 0.7720 0.7670 0.7719 0.7763 0.8178 0.7851 0.7563 0.7733 0.7636 0.7742 0.7787 0.7560 0.7886 0.7884 0.7692 0.9189 0.8698 0.9821 0.9431 0.9457 0.8743 0.9980 0.9870 0.8299 0.9882 0.7186 0.7513 0.7553 0.7212 0.7517 0.7321 0.7431 0.7651 0.6043 0.7458 0.7363 0.7611 0.7186 0.7373 0.7463 0.7530 0.7429 0.7162 0.7139 0.7408 0.6468 0.7614 0.6624 0.6911 0.8463 0.7566 0.7557 0.7089 0.7101 0.7891 0.7397 0.7661 0.6576 0.8293 0.5911 0.7358 0.6267 0.6735 0.7445 0.7411 0.6121 0.5721 0.6050 0.4959 0.6084 0.4618 0.8860 0.6221 0.7536 0.8576 0.6622 0.6435 0.8656 0.7722 0.7737 0.7735 0.7680 0.7129 0.7460 0.7483 0.7898 0.6685 0.6661 0.6523 0.6775 0.7447 0.7091 0.7395 0.7574 0.7546 0.7512 0.7400 0.7524 0.7581 0.7605 0.7008 0.7544 0.6349 2_Aminoethanol Ethanolamine 0.8331 0.8444 0.8574 0.8572 0.8496 0.8075 0.8511 0.8478 0.8562 0.8431 0.7620 0.8350 0.7990 0.8532 0.8424 0.8467 0.8365 0.7605 0.8483 0.8400 0.6238 0.4014 0.7629 0.7995 0.8094 0.9778 0.7741 0.7865 0.7966 0.4784 0.7913 0.4419 0.4269 0.3926 0.4631 0.4498 0.4206 0.4270 0.8691 0.4665 0.6837 0.8703 0.8624 0.8713 0.8553 0.8762 0.8690 0.8490 0.8803 0.8736 0.8556 0.8658 0.8691 0.8562 0.8751 0.8389 0.7876 0.8636 0.8320 0.8085 0.8325 0.8320 0.8245 0.8337 0.8244 0.8294 0.8021 0.8183 0.8012 0.6330 0.6827 0.7875 0.7422 0.7762 0.7806 0.6766 0.5371 0.6548 0.7414 0.6931 0.8055 0.6946 0.6852 0.5423 0.7284 0.7971 0.7173 0.7472 0.4922 0.8119 0.4656 0.4420 0.9530 0.7920 0.6565 0.4546 0.4867 0.4995 0.7740 0.5989 0.4586 0.8672 0.4374 0.6263 0.4193 0.7741 0.7821 0.7030 0.7005 0.6162 0.6977 0.7960 0.8698 0.4706 0.4524 0.9041 0.7742 0.7896 0.7764 0.7912 0.7872 0.7791 0.8612 0.5046 0.5022 0.7592 0.4289 0.7813 0.7391 0.7648 0.6219 0.5123 0.7106 0.7893 0.7600 0.4735 0.7167 2_Coumaric_acid 0.8416 0.9009 0.9122 0.9054 0.8639 0.8643 0.9040 0.8515 0.8586 0.8701 0.8615 0.8388 0.8663 0.9217 0.8997 0.8988 0.9019 0.8620 0.9061 0.8951 0.9903 0.6385 0.7090 0.8322 0.7793 0.8565 0.7873 0.7150 0.7802 0.7530 0.6670 0.7198 0.6480 0.6344 0.6599 0.8335 0.6788 0.7325 0.5779 0.6827 0.7023 0.6647 0.7528 0.7426 0.7560 0.8208 0.8099 0.8182 0.7603 0.7694 0.8059 0.7629 0.7750 0.7281 0.8121 0.8092 0.7970 0.7270 0.8101 0.8829 0.8753 0.8822 0.8830 0.8784 0.8731 0.8795 0.8761 0.7929 0.8764 0.7766 0.7022 0.7352 0.7658 0.7407 0.7594 0.7730 0.6613 0.6835 0.7671 0.7213 0.7345 0.7634 0.7580 0.6500 0.7649 0.7467 0.7792 0.7660 0.7076 0.6672 0.6637 0.7110 0.7323 0.6901 0.7716 0.7671 0.7400 0.7274 0.7876 0.6595 0.8902 0.7126 0.8035 0.6573 0.7834 0.7269 0.7541 0.7832 0.7931 0.6233 0.7088 0.6329 0.6127 0.5771 0.6048 0.8821 0.6397 0.7929 0.7882 0.7049 0.7153 0.8902 0.7842 0.7524 0.7276 0.7784 0.7929 0.7192 0.7303 0.8277 0.7496 0.7253 0.7209 0.7449 0.7137 0.6991 0.7476 0.7256 0.7209 0.7163 0.8661 0.7712 0.7237 0.7492 0.7640 0.7589 0.7158 2_Deoxyadenosine Deoxyadenosine 0.4600 0.4639 0.4714 0.4848 0.4765 0.5051 0.4863 0.4964 0.5083 0.4810 0.4771 0.4662 0.4354 0.4714 0.4607 0.4739 0.4783 0.4659 0.4751 0.4794 0.8410 0.5990 0.5589 0.6065 0.5716 0.6301 0.5502 0.5739 0.5736 0.6548 0.5648 0.6003 0.6150 0.6015 0.6056 0.7361 0.6963 0.6264 0.6202 0.5965 0.5886 0.7084 0.6200 0.6208 0.5903 0.6002 0.6140 0.5960 0.5933 0.5996 0.5900 0.5938 0.6053 0.6085 0.5966 0.5935 0.5909 0.6174 0.6030 0.6030 0.4686 0.4761 0.4716 0.4677 0.4570 0.4506 0.4616 0.4806 0.4920 0.4733 0.6061 0.5686 0.5723 0.5906 0.5825 0.5785 0.5757 0.5852 0.7004 0.5819 0.5757 0.5828 0.5736 0.5903 0.5951 0.5735 0.5789 0.5945 0.5896 0.5804 0.6706 0.5232 0.5242 0.5836 0.5720 0.5327 0.5296 0.5767 0.6111 0.6725 0.5381 0.7513 0.5894 0.6182 0.6053 0.5661 0.6332 0.6293 0.5437 0.5671 0.4247 0.5800 0.4049 0.4667 0.4328 0.4617 0.9263 0.4191 0.5368 0.5706 0.5641 0.5857 0.4844 0.5455 0.5485 0.4751 0.5415 0.6793 0.5762 0.5454 0.6079 0.5287 0.5976 0.6015 0.5563 0.5462 0.5137 0.5665 0.5689 0.5646 0.5552 0.7399 0.5429 0.5759 0.5475 0.6562 0.5767 0.5648 2_Deoxy_D_Glucose 2-Deoxy-glucose 0.8474 0.8614 0.8685 0.8332 0.8615 0.9834 0.8669 0.8950 0.8795 0.8544 0.6042 0.8721 0.9513 0.8551 0.8550 0.8553 0.8555 0.8673 0.8676 0.8560 1.0198 0.7196 0.7676 0.8214 0.8063 0.8852 0.7779 0.7748 0.8039 0.8085 0.7568 0.7463 0.6994 0.7017 0.7357 0.8201 0.7544 0.8239 0.7518 0.7125 0.7970 0.7007 0.8264 0.8132 0.8050 0.8021 0.8018 0.8196 0.8100 0.8029 0.8230 0.8132 0.7986 0.8014 0.8260 0.8087 0.8248 0.8051 0.8212 0.7794 0.8105 0.8611 0.9688 0.8163 0.9965 0.9982 0.7905 0.8725 1.0046 0.8030 0.7384 0.7946 0.7757 0.7596 0.7724 0.7783 0.6707 0.7410 0.7463 0.6258 0.7926 0.5990 0.7038 0.7338 0.7848 0.7639 0.7530 0.7487 0.8120 0.6752 0.7630 0.8946 0.7771 0.7903 0.8357 0.8568 0.7371 0.7420 0.9032 0.7683 0.8221 0.7181 0.7875 0.7677 0.7856 0.7726 0.7807 0.6733 0.7448 0.6875 0.5190 0.7383 0.6773 1.0215 0.7029 0.7986 0.8950 0.7611 0.7398 0.8439 0.7491 0.7716 0.7952 0.8049 0.8877 0.7086 0.7589 0.8670 0.7632 0.8076 0.7408 0.7645 0.7760 0.7645 0.7815 0.7630 0.8079 0.7721 0.8985 0.7728 0.7637 0.7854 0.9009 0.7890 0.7135 2_deoxyguanosine Deoxyguanosine 0.3759 0.3526 0.3416 0.3993 0.3462 0.3898 0.3428 0.7307 0.8514 0.4667 0.4441 0.4147 0.8339 0.7461 2_deoxytetronic_acid 3,4-Dihydroxybutyric acid 0.8617 0.8583 0.8877 0.8754 0.8866 0.8800 0.8611 0.8947 0.8665 0.8723 0.8672 0.8612 0.8669 0.8783 0.8364 0.8729 0.8501 0.8546 0.8824 0.8696 0.9910 0.7928 0.7647 0.8194 0.8564 0.9717 0.8476 0.8445 0.8315 0.7503 0.8419 0.6952 0.7986 0.7999 0.7213 0.8272 0.7670 0.7335 0.7606 0.7985 0.8677 0.7935 0.8376 0.8661 0.8647 0.8584 0.8578 0.8632 0.8563 0.8819 0.8648 0.8690 0.8810 0.8660 0.8579 0.8716 0.8579 0.8734 0.8374 0.8589 0.8837 0.8760 0.8836 0.8838 0.8793 0.8360 0.8841 0.8785 0.8756 0.8799 0.8698 0.8252 0.8117 0.8260 0.8152 0.8266 0.8251 0.8174 0.7326 0.8326 0.8098 0.8256 0.8297 0.8224 0.8134 0.7886 0.8244 0.8201 0.8256 0.8028 0.7847 0.8022 0.7786 0.8245 0.9458 0.8046 0.8428 0.8114 0.8088 0.7985 0.8380 0.9062 0.7367 0.9113 0.7013 0.7215 0.7539 0.7379 0.8462 0.8060 0.7241 0.7022 0.7567 0.6342 0.8071 0.6387 0.9690 0.7656 0.8310 0.9389 0.7134 0.7059 0.9554 0.8483 0.9077 0.8412 0.8476 0.7785 0.8334 0.7990 0.8965 0.7190 0.7598 0.7371 0.8291 0.8022 0.8117 0.8395 0.8249 0.8627 0.8289 0.8459 0.8299 0.7995 0.7827 0.7913 0.6996 0.7378 2_Deoxyuridine Deoxyuridine 0.2674 0.2725 0.3035 0.2820 0.3470 0.3384 0.3421 0.3349 0.3420 0.3252 0.5696 0.2769 0.5726 0.3214 0.2661 0.2742 0.3156 0.2760 0.2779 0.2341 0.3434 0.3845 0.3936 0.4333 0.3108 0.3517 0.3259 0.3279 0.3226 0.3226 0.3021 0.3395 0.3259 0.3453 0.4181 0.3301 0.3326 0.3754 0.3210 0.3310 0.4525 0.2107 0.3144 0.3527 0.3412 0.3261 0.3292 2_hydroxyglutaric_acid 2-Hydroxyglutaric acid 0.7875 0.7857 0.7902 0.7381 0.7796 0.7252 0.7855 0.7396 0.7999 0.7244 0.6807 0.7324 0.7174 0.7172 0.7884 0.7099 0.7881 0.6435 0.7186 0.7882 0.7456 0.5258 0.5604 0.5629 0.6814 0.7829 0.5611 0.5641 0.6729 0.6072 0.6678 0.5497 0.5322 0.5215 0.5303 0.6084 0.5880 0.5236 0.5551 0.5309 0.6533 0.5190 0.6685 0.6617 0.6097 0.6545 0.6095 0.6608 0.6474 0.6921 0.6676 0.6543 0.6531 0.6565 0.6225 0.6517 0.6540 0.6583 0.6781 0.6484 0.6622 0.6747 0.5766 0.7768 0.7763 0.7391 0.5610 0.8086 0.6247 0.8108 0.5862 0.6467 0.6416 0.6287 0.5821 0.6373 0.5839 0.5886 0.5458 0.6420 0.6431 0.6550 0.6323 0.5960 0.5906 0.6071 0.5271 0.6318 0.5890 0.6372 0.5951 0.5786 0.5706 0.5590 0.7569 0.5831 0.6741 0.5616 0.6148 0.6176 0.6174 0.7025 0.5742 0.6217 0.5221 0.6621 0.5508 0.5930 0.5083 0.6640 0.4874 0.5191 0.5040 0.4640 0.4686 0.4234 0.7247 0.5094 0.6630 0.6064 0.6903 0.5789 0.6734 0.5748 0.6009 0.5555 0.6677 0.6453 0.6811 0.5579 0.7166 0.5085 0.4957 0.5079 0.5104 0.5465 0.5393 0.6287 0.6622 0.6695 0.4900 0.6864 0.5164 0.5579 0.6667 0.6203 0.6586 2_hydroxypyrazinyl_2_propenoic_acid_ethyl_ester_ 0.6012 0.6426 0.6554 0.6397 0.6448 0.5858 0.6398 0.6207 0.5808 0.6150 0.9497 0.5853 0.9264 0.6502 0.6392 0.6433 0.6354 0.6119 0.6386 0.6388 1.1070 0.6661 0.6897 0.7352 0.6766 0.7918 0.6955 0.6923 0.6819 0.7753 0.6998 0.7547 0.6695 0.6642 0.6969 0.8789 0.8261 0.7679 0.7744 0.7607 0.6510 0.6453 0.6718 0.6975 0.6343 0.6969 0.6294 0.6951 0.7040 0.6269 0.7037 0.6772 0.6289 0.6744 0.6838 0.6279 0.6883 0.6298 0.6607 0.6832 0.5595 0.5753 0.5642 0.5603 0.5671 0.5702 0.5630 0.5380 0.5796 0.5706 0.6579 0.6802 0.6848 0.6603 0.6720 0.6624 0.6644 0.6725 0.5383 0.6731 0.6825 0.6896 0.6559 0.6571 0.6731 0.6827 0.6765 0.6531 0.6489 0.6780 0.6889 0.6620 0.7123 0.7334 0.7421 0.6656 0.6821 0.7544 0.7443 0.8369 0.7079 0.9503 0.7518 0.7767 0.7062 0.7032 0.8223 0.8023 0.7166 0.7109 0.4522 0.6473 0.4531 0.5372 0.4446 0.5648 0.7993 0.4530 0.7005 0.7850 0.7365 0.7522 0.8046 0.7074 0.7215 0.7181 0.7121 0.8572 0.6899 0.6950 0.7379 0.6904 0.7378 0.7192 0.6894 0.6932 0.7312 0.6796 0.6819 0.6944 0.6746 0.8736 0.6820 0.6890 0.6874 0.8056 0.6756 0.7028 2_ketoadipic_acid_ Oxoadipic acid 0.8876 0.8841 0.8976 0.8864 0.8969 0.8968 0.8879 0.9041 0.9113 0.8806 0.8779 0.8935 0.8979 0.8948 0.8851 0.8844 0.8879 0.7295 0.8860 0.8768 1.2848 0.9441 0.9233 0.9981 0.9260 1.0769 0.9395 0.9377 0.9320 0.9909 0.9351 0.9701 0.9494 0.9537 0.9763 1.1021 0.9534 0.9553 1.0125 0.9503 0.9912 0.9429 0.7123 0.9839 0.9843 0.9718 0.9807 0.9722 0.9728 0.9904 0.9830 0.9768 0.9896 0.9850 0.9718 0.9871 0.9716 0.9866 0.9313 0.9789 0.8490 0.8403 0.8466 0.8464 0.8436 0.8291 0.8456 0.8398 0.8378 0.8427 0.9814 0.9511 0.9491 0.9729 0.9678 0.9731 0.9671 0.9633 0.8977 0.6585 0.9218 0.9401 0.9755 0.9744 0.9749 0.9316 0.6655 0.9817 0.9759 0.9225 0.9899 0.9302 0.9924 1.0291 1.0514 0.9353 0.9412 0.9552 0.9546 0.8837 0.9334 1.1088 0.9269 1.0290 0.9628 0.9336 1.0151 0.9791 0.9366 0.9324 0.6833 0.8833 0.8734 0.5082 0.6066 0.9131 1.4589 0.9342 1.0402 0.9772 0.9972 1.0653 0.9388 0.9396 0.9381 0.9346 1.0318 0.9268 0.9343 1.0067 0.9386 0.9551 0.9778 0.9346 0.9335 0.9408 0.9160 0.9323 0.9389 0.9369 1.1689 0.9383 0.9414 0.9406 1.0412 0.9321 0.9607 2_ketoisocaproic_acid Ketoleucine 0.5611 0.8328 0.8453 0.5482 0.5906 0.8412 0.5409 0.5661 0.5914 0.8227 0.7033 0.5882 0.7214 0.8527 0.8319 0.8307 0.5656 0.7356 0.5573 0.8245 0.8663 0.6071 0.6920 0.7343 0.7320 0.7800 0.6794 0.6827 0.7072 0.6557 0.6441 0.6431 0.6499 0.6332 0.6260 0.7538 0.6373 0.7206 0.6403 0.6575 0.7879 0.6330 0.7160 0.7834 0.7818 0.7748 0.7816 0.7756 0.7779 0.7879 0.7854 0.7808 0.7834 0.7842 0.7767 0.7850 0.7794 0.7800 0.6870 0.7798 0.7901 0.7760 0.7876 0.7904 0.7837 0.7802 0.7726 0.7801 0.7796 0.7757 0.7803 0.6006 0.6158 0.7734 0.7710 0.7751 0.7717 0.7706 0.6727 0.6246 0.6646 0.6282 0.7778 0.7733 0.7720 0.6659 0.6091 0.7797 0.7800 0.6606 0.6304 0.6921 0.7248 0.7968 0.6860 0.7060 0.6539 0.7397 0.6931 0.6713 0.7473 0.6488 0.7398 0.6490 0.6699 0.7344 0.6668 0.6720 0.5580 0.5077 0.7553 0.5810 0.8646 0.5147 0.7285 0.8081 0.7086 0.6586 0.7468 0.6603 0.7103 0.6925 0.7245 0.6903 0.6926 0.7022 0.7779 0.6665 0.6755 0.6789 0.6669 0.6653 0.6842 0.6641 0.6743 0.5280 0.6709 0.7924 0.6690 0.6822 0.6708 0.6744 0.6754 0.6346 2_methylglutaric_acid 2-Methylglutaric acid 0.8089 0.8375 0.8438 0.8371 0.8400 0.8054 0.8349 0.8195 0.8240 0.8157 0.7997 0.8159 0.8036 0.8588 0.8358 0.8365 0.8367 0.8644 0.8407 0.8305 1.0320 0.7123 0.8270 0.8923 0.8604 0.9690 0.7279 0.8395 0.8514 0.7738 0.8115 0.7434 0.7067 0.6987 0.7153 0.8594 0.7584 0.7539 0.7579 0.6844 0.8101 0.7242 0.8032 0.8048 0.8032 0.8300 0.8314 0.7786 0.8377 0.7936 0.8077 0.8125 0.7908 0.8322 0.7775 0.8447 0.8045 0.8003 0.8031 0.8051 0.8013 0.8053 0.7957 0.7928 0.7973 0.7973 0.7788 0.7618 0.7483 0.7431 0.7676 0.7534 0.7455 0.8239 0.7950 0.7591 0.8177 0.8220 0.7502 0.7125 0.8312 0.8095 0.7662 0.7528 0.7648 0.8063 0.7439 0.8224 0.7351 0.7583 0.9456 0.8318 0.8348 0.7648 0.7461 0.8156 0.8250 0.9334 0.7347 0.9227 0.7099 0.8243 0.7713 0.7713 0.8321 0.8253 0.6673 0.7333 0.6966 0.6616 0.6698 0.6500 0.9042 0.6977 0.8238 0.9207 0.7296 0.7347 0.9548 0.8549 0.8357 0.8543 0.8471 0.8250 0.8350 0.8287 0.9122 0.7322 0.7354 0.7191 0.7927 0.8290 0.7521 0.7916 0.8100 0.8260 0.8193 0.8969 0.8142 0.8199 0.8277 0.7884 0.8132 0.7045 2_methylglyceric_acid_ 0.7756 0.7875 0.7948 0.7914 0.7857 0.7354 0.7853 0.7850 0.7862 0.7595 0.7454 0.7804 0.7399 0.8075 0.7847 0.7847 0.7816 0.7237 0.7926 0.7838 0.7152 0.5130 0.7371 0.7718 0.6206 0.8111 0.6778 0.7066 0.6010 0.5636 0.7049 0.5369 0.5083 0.4809 0.4854 0.5472 0.5839 0.5573 0.5112 0.5013 0.7073 0.4117 0.6604 0.7094 0.6993 0.7168 0.6956 0.7274 0.7075 0.6953 0.7201 0.7143 0.6918 0.7048 0.7169 0.6989 0.7207 0.6853 0.5709 0.7050 0.6843 0.6704 0.6738 0.6874 0.6820 0.6528 0.5876 0.5733 0.6832 0.6607 0.6736 0.6364 0.5911 0.6644 0.6220 0.6483 0.6524 0.6381 0.4451 0.5967 0.6475 0.6836 0.6727 0.6595 0.6308 0.6268 0.5886 0.6674 0.6329 0.6670 0.5925 0.6769 0.6145 0.7650 0.6792 0.7079 0.5265 0.5832 0.5880 0.7039 0.6583 0.5594 0.8110 0.5150 0.7050 0.5130 0.5441 0.6983 0.7422 0.5451 0.5474 0.4587 0.5340 0.4150 0.6736 0.5522 0.6710 0.7530 0.5775 0.5647 0.7971 0.7169 0.7140 0.6920 0.6693 0.5135 0.6551 0.7171 0.7184 0.6166 0.5512 0.5613 0.6047 0.5908 0.5964 0.6280 0.7010 0.6191 0.6939 0.5907 0.7106 0.7207 0.6838 0.5177 0.6921 0.5313 2_Methylpropanal 2-Methylpropanal 1.0320 1.0327 1.0479 1.0411 1.0484 1.0501 1.0424 1.0574 1.0666 1.0389 0.9367 1.0402 0.9541 1.0464 1.0328 1.0308 1.0365 1.0431 1.0363 1.0219 1.2744 0.9007 1.0082 1.0801 1.0091 1.1543 1.0106 1.0085 1.0069 1.0143 1.0014 1.0287 0.9434 0.9454 0.9897 1.0924 0.8311 0.9936 1.0481 0.9497 1.0266 0.9214 1.0218 1.0212 1.0246 1.0094 1.0176 1.0096 1.0119 1.0271 1.0253 1.0180 1.0200 1.0250 1.0119 1.0253 1.0144 1.0292 0.9970 1.0166 1.0197 1.0130 1.0248 1.0248 1.0134 1.0226 1.0181 1.0131 1.0162 1.0100 0.9943 0.9634 0.9713 0.9809 0.9819 0.9873 0.9822 0.9798 0.9404 0.9774 0.9759 0.9752 0.9904 0.9816 0.9941 0.9736 0.9715 0.9929 0.9677 0.9730 0.9880 1.0104 1.0268 1.0363 1.1238 1.0079 1.0028 0.9584 1.0303 0.9680 0.9918 1.1249 0.9740 1.1006 0.9822 0.9983 1.0530 0.9865 0.9921 0.9989 1.0062 0.6098 1.0084 0.5691 1.0204 0.5440 1.0582 1.0112 1.0194 1.1196 1.0405 1.0278 1.1434 1.0112 1.0138 1.0028 1.0077 1.0277 1.0075 1.0003 1.0813 0.9913 0.9462 1.0073 0.9804 0.9942 0.9901 1 0.9984 0.9985 0.9984 1.1480 1.0042 1.0048 0.9978 1.0136 1.0046 0.9938 2_Oxoglutarate 2-Oxoglutaric acid 0.9465 0.9536 0.9655 0.9560 0.9604 0.9162 0.9552 0.9656 0.9703 0.9388 0.9111 0.9537 0.9070 0.9608 0.9519 0.9488 0.9473 0.8427 0.9489 0.9421 0.7392 0.6680 0.8514 0.9176 0.8915 1.0310 0.8965 0.8849 0.9123 0.5847 0.8680 0.5957 0.6617 0.6563 0.5416 0.5865 0.4635 0.5733 0.5427 0.6651 0.9576 0.6588 0.8607 0.9664 0.9536 0.9719 0.9500 0.9794 0.9672 0.9574 0.9814 0.9704 0.9481 0.9566 0.9735 0.9499 0.9765 0.9381 0.9068 0.9607 0.9079 0.8873 0.9063 0.9101 0.9042 0.8985 0.8940 0.8939 0.9009 0.8912 0.8882 0.8647 0.8603 0.8939 0.8961 0.8971 0.8966 0.8799 0.8463 0.8649 0.8748 0.8717 0.9191 0.8984 0.8918 0.7737 0.8677 0.9214 0.8728 0.8653 0.5351 0.8522 0.5959 0.6059 0.9958 0.8546 0.8332 0.5097 0.5473 0.8628 0.5085 0.9717 0.3975 0.7946 0.4885 0.6004 0.8795 0.8433 0.8194 0.8689 0.4573 0.8551 0.7629 0.7941 0.9033 0.9960 0.5897 0.6148 1.0177 0.9038 0.8844 0.9040 0.9058 0.5899 0.8740 0.8376 0.9519 0.7011 0.5881 0.7045 0.8848 0.6718 0.8741 0.8419 0.8482 0.8100 0.6130 0.8390 0.8615 0.8508 0.8491 0.6055 2_Picolinate 0.6512 0.5917 0.6409 0.5953 0.6006 0.5586 0.5311 0.5876 0.6350 0.6282 0.4803 0.5680 0.4802 0.5696 0.6172 0.4822 0.4666 0.6356 0.6572 0.5397 1.1311 0.6857 0.6323 0.6707 0.6257 0.7295 0.6266 0.6035 0.6100 0.8879 0.6059 0.8414 0.6221 0.6151 0.6978 0.9693 0.6967 0.8597 0.7931 0.6288 0.6018 0.5385 0.5692 0.5970 0.6016 0.5945 0.5955 0.6053 0.5964 0.6067 0.6056 0.5949 0.5972 0.6125 0.5801 0.6040 0.6031 0.6107 0.6051 0.6026 0.5431 0.5381 0.5410 0.6402 0.5335 0.5670 0.4601 0.6318 0.5308 0.6081 0.6391 0.5231 0.6197 0.6384 0.6269 0.6411 0.6354 0.5651 0.6281 0.6250 0.6418 0.6240 0.6419 0.6508 0.5191 0.6244 0.5846 0.5631 0.6314 0.6602 0.5895 0.8053 0.8677 0.7814 0.5791 0.6385 0.8757 0.8838 0.9773 0.5903 1.0234 0.8497 0.7356 0.7019 0.6556 0.7997 0.8730 0.5605 0.6592 0.4618 0.8369 0.4670 0.6801 0.4753 0.7336 0.8572 0.4683 0.6521 0.7349 0.8271 0.8312 0.7507 0.6530 0.6561 0.6538 0.6517 0.9486 0.6362 0.6531 0.6784 0.6910 0.8459 0.8168 0.6947 0.6534 0.7142 0.5505 0.5666 0.5512 0.5363 0.9758 0.6421 0.5779 0.6562 0.9122 0.6489 0.7788 3_4_Dihydroxyphenylacetate 0.6423 0.6476 0.6548 0.6550 0.6592 0.6596 0.6531 0.6601 0.6562 0.6393 0.6304 0.6513 0.6227 0.6648 0.6520 0.6488 0.6531 0.6736 0.6528 0.6615 1.0836 0.6963 0.7409 0.7907 0.7272 0.8503 0.7320 0.7189 0.7381 0.8260 0.7317 0.7806 0.6626 0.6933 0.7304 0.9252 0.6637 0.7884 0.7949 0.6899 0.6943 0.6065 0.6984 0.6879 0.6916 0.6874 0.6851 0.6879 0.6832 0.6863 0.6987 0.6816 0.6927 0.6919 0.6941 0.6620 0.6879 0.6958 0.7119 0.6543 0.6485 0.6582 0.6564 0.6531 0.6491 0.6491 0.6499 0.6513 0.6580 0.6512 0.6743 0.7116 0.7153 0.6800 0.7110 0.6881 0.6935 0.7068 0.5608 0.7058 0.7050 0.7171 0.6796 0.6835 0.7096 0.7039 0.7045 0.6685 0.6953 0.6926 0.7074 0.7394 0.7718 0.8193 0.8243 0.7335 0.7392 0.8216 0.8132 0.9231 0.7510 0.9872 0.8014 0.8199 0.7533 0.7498 0.8239 0.8356 0.7515 0.7475 0.5688 0.7155 0.3963 0.6186 0.4894 0.6333 0.8612 0.4565 0.7271 0.8163 0.7654 0.7858 0.8403 0.7467 0.7439 0.7494 0.7420 0.8939 0.7431 0.7285 0.8012 0.7252 0.7735 0.7726 0.7416 0.7455 0.7378 0.7388 0.7384 0.7475 0.7432 0.9659 0.7474 0.7342 0.7523 0.8637 0.7341 0.7518 3_4_Dihydroxyphenylglycol 0.8960 0.9164 0.9171 0.8794 0.9143 0.9093 0.9090 0.9148 0.9364 0.9128 0.8555 0.9228 0.8332 0.9285 0.9022 0.9259 0.8916 0.8950 0.9327 0.9158 0.9193 0.7218 0.8804 0.9448 0.9044 1.0412 0.8954 0.8981 0.8762 0.7819 0.8305 0.7171 0.7192 0.7044 0.6846 0.7287 0.8413 0.6976 0.7117 0.7115 0.8322 0.7128 0.8471 0.8455 0.8531 0.8470 0.8568 0.8383 0.8306 0.8544 0.8359 0.8528 0.8459 0.8580 0.8543 0.8530 0.8474 0.8422 0.8428 0.9375 0.9032 0.9412 0.9413 0.9225 0.9379 0.9172 0.9079 0.9272 0.9161 0.8427 0.8580 0.8612 0.8497 0.8543 0.8526 0.8552 0.8544 0.7668 0.8479 0.8462 0.8516 0.8455 0.8435 0.8503 0.8267 0.8540 0.8454 0.8278 0.8485 0.8422 0.8423 0.7765 0.7983 0.9674 0.8334 0.8260 0.6880 0.8489 0.8790 0.9312 0.7008 0.8187 0.7170 0.7241 0.8560 0.8358 0.6778 0.8365 0.7342 0.6921 0.6977 1.0397 0.7845 0.8506 0.9507 0.7111 0.7293 0.9611 0.8517 0.8404 0.8536 0.8547 0.8902 0.8810 0.9803 0.7456 0.7255 0.7379 0.8961 0.7680 0.9082 0.8548 0.8744 0.8181 0.7641 0.8342 0.8568 0.8650 0.6835 0.8557 0.7226 3_Dehydroshikimate 3-Dehydroshikimate 0.9286 0.9261 0.9402 0.9334 0.9412 0.9360 0.9382 0.9464 0.9432 0.9305 0.9281 0.9304 0.9404 0.9358 0.9330 0.9262 0.9298 0.9321 0.9281 0.9185 1.1868 0.9288 0.9449 1.0140 0.9089 1.0922 0.9540 0.9515 0.9046 0.9651 0.9063 0.9650 0.9311 0.9346 0.9685 0.8059 0.9172 0.9027 1.0358 0.9292 0.9265 0.9312 0.9223 0.9233 0.9200 0.9079 0.9128 0.9119 0.9109 0.9146 0.9346 0.9192 0.9128 0.8361 0.9075 0.9141 0.9182 0.9198 0.9045 0.9155 0.9068 0.9141 0.9079 0.9057 0.9104 0.9099 0.9086 0.9144 0.9173 0.9029 0.9023 0.8835 0.9030 0.8953 0.8962 0.9003 0.8938 0.8928 0.8917 0.8902 0.8985 0.8957 0.9008 0.9012 0.9034 0.9042 0.8975 0.9001 0.8889 0.9018 0.9286 0.9049 0.9607 0.9766 1.0131 0.9028 0.9026 0.8875 1.0117 0.8516 0.9005 1.0780 0.9001 0.9991 0.9623 0.9053 1.0396 0.8828 0.9045 0.8963 0.5656 0.9105 0.6144 0.6132 0.9468 0.6958 1.4061 0.9405 0.9262 1.0229 0.9076 0.9663 1.0381 0.9230 0.9152 0.9219 0.9238 0.9267 0.9108 0.9038 1.0230 0.9175 0.8837 0.9510 0.9042 0.9004 0.9136 0.9468 0.9000 0.9050 0.9087 1.0526 0.8937 0.9183 0.9009 0.9129 0.9139 0.7919 3_deoxyhexitol_ 0.8062 0.8113 0.8025 0.7955 0.8149 0.7256 0.8036 0.8091 0.7935 0.7857 0.8050 0.8085 0.8013 0.8182 0.8118 0.8035 0.7984 0.8274 0.8089 0.8044 1.0602 0.7025 0.8894 0.9489 0.6804 1.0180 0.8881 0.8886 0.6759 0.7785 0.8823 0.6805 0.6863 0.7472 0.8501 0.7743 0.7712 0.6926 0.7509 0.6783 0.9593 0.8780 0.8835 0.8690 0.8770 0.8730 0.8675 0.8833 0.8837 0.7638 0.7544 0.7676 0.7837 0.7721 0.7744 0.7319 0.7872 0.8728 0.7817 0.7870 0.7847 0.7841 0.7856 0.7892 0.7832 0.7835 0.7919 0.7818 0.6959 0.9201 0.8483 0.6781 0.7230 0.8565 0.8918 0.7160 0.8781 0.9340 0.8554 0.8941 0.7792 0.9406 0.7014 0.8628 0.7395 0.7771 0.9077 0.9910 0.8861 0.7327 0.7518 0.8775 0.9589 0.9704 0.7147 0.8653 0.8010 0.7159 0.8792 0.8809 0.7584 0.7688 0.7582 1.0735 0.7770 0.8856 0.9869 1.0111 0.8911 0.9054 0.7048 0.6164 0.7787 0.8887 0.8782 0.9406 0.7751 0.7414 0.8764 0.6991 0.7415 0.8797 0.7267 0.9716 0.7308 0.7600 0.7530 0.7984 0.7141 0.7395 3_Hydroxy_3_methylglutarate_CoA 0.7508 0.7223 0.7295 0.7343 0.7318 0.7435 0.7272 0.7556 0.7607 0.7387 0.7726 0.7423 0.7322 0.7466 0.7299 0.7417 0.7433 0.7723 0.7320 0.7503 0.8701 0.5948 0.6275 0.6782 0.6392 0.7388 0.6376 0.6266 0.6412 0.6528 0.6278 0.5980 0.5776 0.5718 0.5724 0.6778 0.7000 0.6203 0.6105 0.5787 0.6687 0.5882 0.6540 0.6703 0.6603 0.6410 0.6585 0.6409 0.6212 0.6675 0.6580 0.6353 0.6548 0.6638 0.6462 0.6624 0.6219 0.6683 0.6652 0.6648 0.7475 0.7498 0.7471 0.7491 0.7471 0.7418 0.7450 0.7436 0.7460 0.7461 0.6386 0.6507 0.6653 0.6459 0.6498 0.6501 0.6435 0.6362 0.5704 0.5862 0.6305 0.6692 0.6341 0.6406 0.6564 0.6229 0.6522 0.6329 0.6330 0.6247 0.6894 0.6440 0.6866 0.7136 0.7944 0.7023 0.6452 0.6840 0.7069 0.7387 0.6311 0.7796 0.6362 0.7058 0.6036 0.6357 0.6374 0.6413 0.6417 0.6319 0.4911 0.6055 0.5309 0.4928 0.5129 0.5470 0.8722 0.5454 0.6385 0.7094 0.6143 0.6265 0.7303 0.6453 0.6428 0.6375 0.6362 0.7045 0.6358 0.6346 0.6865 0.5878 0.6227 0.6067 0.5933 0.6389 0.6858 0.6363 0.6307 0.6306 0.6412 0.7281 0.6220 0.6534 0.6323 0.6645 0.6161 0.6118 3_hydroxy_3_methylglutaric_acid 3-Hydroxymethylglutaric acid 0.7508 0.7223 0.7295 0.7343 0.7318 0.7435 0.7272 0.7556 0.7607 0.7387 0.7726 0.7423 0.7322 0.7466 0.7299 0.7417 0.7433 0.7723 0.7320 0.7503 0.8317 0.5987 0.6275 0.6782 0.6392 0.7388 0.6517 0.6266 0.6393 0.6528 0.6418 0.5980 0.5776 0.5755 0.5724 0.6778 0.7000 0.5897 0.6105 0.5787 0.6687 0.5882 0.6540 0.6358 0.6574 0.6410 0.6585 0.6409 0.6635 0.6628 0.6580 0.6353 0.6448 0.6638 0.6462 0.6522 0.6219 0.6641 0.6652 0.6648 0.7475 0.7498 0.7471 0.7491 0.7471 0.7418 0.7450 0.7436 0.7460 0.7461 0.6386 0.6507 0.6653 0.6336 0.6498 0.6349 0.6435 0.6362 0.5704 0.5862 0.6305 0.6692 0.6341 0.5964 0.6564 0.6083 0.6522 0.6389 0.6321 0.6247 0.6776 0.6440 0.6456 0.7136 0.7944 0.7024 0.7096 0.6212 0.7038 0.7387 0.6311 0.7619 0.6244 0.7261 0.5763 0.6357 0.6374 0.6134 0.6417 0.6319 0.4911 0.6055 0.5309 0.4928 0.5129 0.5470 0.8685 0.5454 0.6385 0.7094 0.6143 0.6265 0.7479 0.6453 0.6393 0.6381 0.6362 0.7045 0.6358 0.6493 0.6865 0.5888 0.6227 0.6067 0.5933 0.6445 0.6858 0.6354 0.6307 0.6306 0.6412 0.7281 0.6428 0.6534 0.6590 0.6663 0.6630 0.6118 3_Hydroxybenzoate 3-Hydroxybenzoic acid 0.4890 0.5266 0.5114 0.4739 0.4681 0.8337 0.8042 0.5288 0.5063 0.7851 0.5404 0.5927 0.6355 0.5833 0.6872 0.6040 0.6068 0.5850 0.5479 0.5734 0.5249 0.5100 0.5167 0.4754 0.5277 0.5627 0.5339 0.4728 0.6156 0.5361 0.5265 0.5215 0.5129 0.5240 0.5220 0.5092 0.6135 0.5168 0.6143 0.6037 0.6606 0.5453 0.4920 0.4911 0.4891 0.4812 0.4854 0.4695 0.4943 0.5091 0.4981 0.5666 0.5718 0.5846 0.5750 0.5439 0.5772 0.5786 0.5683 0.5609 0.5815 0.5592 0.6180 0.5529 0.5433 0.5800 0.6114 0.5504 0.5476 0.5547 0.5903 0.4753 0.5066 0.4869 0.3934 0.6047 0.5421 0.5671 0.4869 0.5114 0.5417 0.5917 0.5564 0.5347 0.6529 0.4664 0.5768 0.5482 0.5426 0.5973 0.5902 0.4306 0.3862 0.4300 0.3810 0.4027 0.3848 0.4328 0.5851 0.6559 0.5226 0.5433 0.6833 0.6030 0.6076 0.6126 0.6017 0.5131 0.5979 0.5852 0.6319 0.5597 0.5435 0.5356 0.4835 0.5906 0.5394 0.5686 0.5735 0.5832 0.5483 0.5423 0.5522 0.5753 0.5876 0.5203 0.5749 0.4768 3_Hydroxybenzylalcohol 3-Hydroxybenzyl alcohol 0.5283 0.4947 0.5163 0.5250 0.5224 0.5302 0.5299 0.5026 0.4747 0.4769 0.5869 0.5371 0.5304 0.4960 0.4958 0.5119 0.5151 0.7371 0.4626 0.4968 0.5783 0.4901 0.5843 0.4732 0.4995 0.4455 0.4301 0.3995 0.6164 0.5437 0.5525 0.5243 0.4206 0.5214 0.5336 0.5032 0.5288 0.5189 0.5221 0.5617 0.5227 0.5154 0.5260 0.5269 0.5237 0.5298 0.3300 0.3078 0.4080 0.2978 0.4028 0.5193 0.4516 0.5258 0.4839 0.4400 0.4330 0.5221 0.3564 0.4179 0.7274 0.4434 0.7497 0.8098 0.4159 0.4078 0.6400 0.6459 0.6221 0.6635 0.7154 0.6260 0.5240 0.5303 0.5348 0.4688 0.5931 0.3930 0.3873 0.3214 0.4738 0.6441 0.4065 0.3990 0.4834 0.5951 0.4976 0.5172 0.4130 0.5668 0.5883 0.4718 0.5893 0.5624 0.6746 0.5036 0.5027 0.4975 0.5859 0.4764 0.5062 0.5944 0.5049 0.5364 3_Hydroxyisovaleric_acid 3-Hydroxyisovaleric acid 0.8003 0.7972 0.8026 0.7833 0.8026 0.8006 0.7979 0.8119 0.8145 0.7743 0.9477 0.8078 0.8073 0.8179 0.7951 0.7971 0.7656 0.8515 0.7984 0.7727 1.1184 0.7427 0.8798 0.8722 0.8662 1.0338 0.9161 0.9871 1.0041 0.8470 0.8528 0.7815 0.7972 0.7519 0.7861 0.8998 0.9002 0.8087 0.8001 0.7390 0.8911 0.7937 0.9088 0.8889 0.8890 0.8790 0.8834 0.8811 0.8808 0.8890 0.8878 0.8917 0.8870 0.8977 0.8818 0.8919 0.8869 0.8877 0.9384 0.8825 0.8751 0.8850 0.8927 0.8846 0.8817 0.9291 0.8478 0.7603 0.8817 0.8579 0.8683 0.7592 0.9713 0.8572 1.0034 0.8642 0.8562 0.9962 0.8072 0.9860 0.8597 0.9582 0.8701 1.0107 1.0066 0.7749 0.9777 0.8700 1.0139 0.8377 0.8263 0.8930 0.8233 0.8393 1.0921 0.8644 0.8632 0.7853 0.8683 0.9050 0.8579 0.9726 0.8061 0.9633 0.7584 0.8399 0.8249 0.8426 0.8824 0.8441 0.8893 0.8122 0.9614 0.7081 0.8208 0.6502 0.9471 0.9822 1.0130 1.1048 0.7998 0.7718 1.1164 0.9908 0.8882 0.9853 0.8595 0.8770 0.8562 0.8405 1.0769 0.8259 0.7857 0.7908 0.8187 0.8471 0.8236 0.8770 0.8321 0.8372 1.0079 0.8348 0.8262 0.7939 0.8527 0.8550 0.7101 3_Hydroxymethylglutaryl_CoA 0.9414 0.9525 0.9626 0.9553 0.9545 0.9321 0.9529 0.9515 0.9594 0.9428 0.8455 0.9495 0.9340 0.9620 0.9572 0.9563 0.9447 0.8952 0.9688 0.9619 1.0336 0.6759 0.8149 0.8813 0.8514 0.9686 0.8383 0.8385 0.8450 0.8107 0.8247 0.8410 0.6661 0.6781 0.7027 0.8588 0.8119 0.8371 0.7494 0.6773 0.9000 0.6768 0.8192 0.9011 0.8142 0.8335 0.9034 0.8352 0.8947 0.8677 0.8525 0.8281 0.9071 0.8267 0.8374 0.8998 0.8342 0.8354 0.8292 0.8168 0.9256 0.7218 0.9481 0.9338 0.7239 0.9083 0.9620 0.9582 0.8224 0.9515 0.7857 0.7778 0.7772 0.8069 0.7086 0.8102 0.8054 0.7853 0.7368 0.7656 0.7802 0.7517 0.7951 0.8044 0.8029 0.7967 0.7693 0.8176 0.8037 0.7627 0.6589 0.8053 0.8284 0.8232 0.9030 0.7851 0.8111 0.8297 0.8285 0.8791 0.7653 0.9313 0.8151 0.8564 0.6979 0.8036 0.7624 0.7964 0.8076 0.7767 0.8100 0.7296 0.8174 0.7484 0.7711 0.6512 1.0675 0.7642 0.8480 0.9365 0.8485 0.8558 0.8810 0.8479 0.8004 0.8179 0.8140 0.9075 0.8062 0.7682 0.8943 0.8018 0.8202 0.8235 0.7829 0.8079 0.7925 0.8000 0.8058 0.8119 0.7904 0.8934 0.8129 0.7894 0.8100 0.8745 0.8121 0.8097 3_Hydroxypyruvic_acid Hydroxypyruvic acid 0.6190 0.7031 0.5905 0.6325 0.5991 0.4027 0.5958 0.6304 0.6324 0.6836 0.6537 0.6078 0.6357 0.6231 0.6223 0.6182 0.6441 0.6283 0.5885 0.6084 0.6579 0.7202 0.6586 0.7916 0.6706 0.7060 0.6426 0.4830 0.6098 0.6234 0.6328 0.6245 0.6274 0.6253 0.6232 0.6236 0.6305 0.6425 0.6545 0.6237 0.6178 0.6302 0.6365 0.6088 0.6186 0.6228 0.6815 0.6073 0.6189 0.6383 0.6758 0.6760 0.6800 0.6557 0.6465 0.6270 0.6282 0.6168 0.5890 0.6263 0.6135 0.5919 0.6079 0.6163 0.6073 0.6052 0.4691 0.6870 0.6454 0.6406 0.5882 0.6261 0.6400 0.6085 0.6154 0.5833 0.6073 0.6284 0.4676 0.6532 0.7654 0.6505 0.6458 0.6297 0.7311 0.6335 0.6407 0.6547 0.4917 0.4821 0.4684 0.4903 0.6238 0.7361 0.7393 0.6488 0.6303 0.6637 0.6567 0.6570 0.7111 0.6962 0.6765 0.6983 0.6359 0.6424 0.6288 0.6362 0.6486 0.6510 0.6203 3_Indoleacetonitrile 3-Indoleacetonitrile 0.6690 0.6612 0.6736 0.6662 0.6745 0.6724 0.6617 0.6876 0.6914 0.6490 0.6647 0.6822 0.6532 0.6675 0.6664 0.6574 0.6698 0.7035 0.6607 0.6572 1.1662 0.7596 0.7576 0.8298 0.7601 0.8898 0.7683 0.7848 0.7612 0.8708 0.7724 0.8086 0.7484 0.7581 0.7909 0.9626 0.7191 0.8314 0.8443 0.7555 0.7059 0.7408 0.7356 0.7575 0.7010 0.6902 0.6898 0.6910 0.6989 0.6977 0.7002 0.6948 0.6908 0.6972 0.6926 0.6912 0.6924 0.7426 0.7558 0.6958 0.7319 0.7208 0.7295 0.7297 0.7255 0.7157 0.7255 0.7207 0.7240 0.7230 0.7362 0.7532 0.7950 0.7523 0.7379 0.7474 0.7478 0.6623 0.7134 0.5785 0.7814 0.7933 0.5983 0.7458 0.7443 0.7620 0.8049 0.7451 0.7504 0.7624 0.7606 0.8045 0.8431 0.8600 0.7643 0.7641 0.8567 0.8435 0.9305 0.7737 1.0511 0.8142 0.8802 0.7896 0.7585 0.8582 0.8624 0.7691 0.7575 0.5547 0.8668 0.5641 0.5890 0.6869 0.7165 0.9185 0.5691 0.7583 0.8503 0.7958 0.8163 0.8757 0.7732 0.7827 0.7711 0.7647 0.9260 0.8045 0.7720 0.8273 0.7566 0.8191 0.7989 0.7586 0.7667 0.7451 0.7896 0.7558 0.7661 0.7252 1.0055 0.7571 0.7717 0.7659 0.8767 0.7612 0.7600 3_Methoxytyramine 3-Methoxytyramine 0.6171 0.6165 0.6222 0.6223 0.6201 0.6267 0.6162 0.6243 0.6349 0.6177 0.6219 0.6188 0.6298 0.6307 0.6193 0.6124 0.6188 0.6412 0.6182 0.6081 1.1747 0.6924 0.6955 0.7444 0.6475 0.8012 0.6773 0.6823 0.6776 0.8723 0.6724 0.8190 0.6317 0.5768 0.6733 0.9535 0.6625 0.8195 0.8032 0.6255 0.7289 0.5415 0.6513 0.6552 0.6501 0.6534 0.5939 0.6486 0.6524 0.6542 0.6616 0.6488 0.6544 0.6482 0.6461 0.6576 0.6537 0.6614 0.6219 0.6584 0.5911 0.5901 0.5940 0.5948 0.5906 0.5949 0.5921 0.5959 0.5962 0.5868 0.6101 0.6322 0.6066 0.6372 0.6428 0.6022 0.6163 0.6324 0.4617 0.6403 0.6259 0.6334 0.6333 0.6418 0.6502 0.6163 0.6428 0.6501 0.6418 0.6185 0.7011 0.6764 0.8230 0.8251 0.7406 0.6742 0.6733 0.8588 0.8731 0.9355 0.6496 1.0100 0.8405 0.7259 0.6971 0.8179 0.7544 0.8686 0.6569 0.6634 0.6368 0.9094 0.4967 0.8142 0.6390 0.8181 0.9406 0.5058 0.6721 0.7530 0.8607 0.8607 0.7629 0.6853 0.6759 0.6639 0.6779 0.9120 0.6712 0.6669 0.7189 0.8002 0.8233 0.8487 0.7926 0.6731 0.8240 0.6799 0.6541 0.6559 0.7934 0.9789 0.6613 0.6611 0.6577 0.8897 0.7047 0.8480 3_Methoxytyrosine 3-Methoxytyrosine 0.6351 0.6242 0.6071 0.6230 0.6269 0.5997 0.6033 0.6116 0.6023 0.5697 0.5398 0.6411 0.5483 0.6465 0.6377 0.6283 0.6117 0.5672 0.6320 0.6149 0.6934 0.7426 0.7919 0.8858 0.7220 0.7501 0.7840 0.4801 0.6964 0.4515 0.4785 0.5352 0.8483 0.6855 0.8083 0.8069 0.8099 0.8098 0.8117 0.7985 0.7358 0.8241 0.8163 0.7945 0.8183 0.8204 0.8231 0.8181 0.7968 0.7517 0.7958 0.5627 0.6988 0.6295 0.6420 0.6431 0.6720 0.6735 0.6801 0.6694 0.6813 0.7404 0.6011 0.5866 0.6737 0.6307 0.7002 0.6394 0.6092 0.6154 0.6216 0.6266 0.6676 0.7023 0.7255 0.5967 0.7164 0.6072 0.6579 0.6162 0.6412 0.6262 0.6421 0.5753 0.7064 0.6474 0.6494 0.4936 0.5779 0.5535 0.2279 0.7404 0.8653 0.8488 0.7951 0.7086 0.7692 0.8026 0.6611 0.6524 0.7187 0.5268 0.5566 0.5580 0.6931 0.5622 0.4766 0.4279 0.5748 0.5035 3_Nitro_L_Tyrosine Nitrotyrosine 0.5789 0.5745 0.6014 0.5911 0.5910 0.5995 0.5936 0.5965 0.5935 0.5641 0.5333 0.7110 0.6877 0.5896 0.5997 0.5708 0.5920 0.6042 0.5779 0.5817 0.7507 0.5098 0.7366 0.7795 0.7959 0.9039 0.7868 0.7871 0.7936 0.5951 0.6000 0.5623 0.4935 0.4824 0.5036 0.6270 0.5453 0.5557 0.5500 0.4941 0.7381 0.4618 0.6073 0.8034 0.6416 0.7946 0.8025 0.8072 0.6352 0.6250 0.8103 0.7415 0.7984 0.7554 0.7900 0.7936 0.7809 0.6318 0.7236 0.7954 0.5607 0.5592 0.6469 0.6499 0.5854 0.6774 0.5612 0.5633 0.5704 0.7131 0.7586 0.7604 0.7569 0.7722 0.7791 0.6220 0.7774 0.7887 0.7685 0.7408 0.7534 0.7751 0.7735 0.7954 0.5168 0.7536 0.8054 0.7742 0.7147 0.6008 0.6217 0.5595 0.5668 0.7191 0.6532 0.5586 0.5646 0.5666 0.5904 0.7198 0.6931 0.5823 0.7559 0.5311 0.5446 0.5772 0.5971 0.7056 0.7009 0.4618 0.4580 0.5813 0.3927 0.5761 0.5079 0.4787 0.7836 0.9090 0.5695 0.5948 0.9137 0.6410 0.7678 0.8011 0.8105 0.6184 0.7395 0.7284 0.8065 0.5656 0.5757 0.5531 0.5454 0.5906 0.5294 0.7842 0.6308 0.6218 0.5579 0.6419 0.6274 0.6177 0.6198 0.5926 0.6153 0.5528 4_aminobutyric_acid_ 4-Aminopentanoic acid 0.7292 0.7526 0.6703 0.6723 0.7577 0.7046 0.7457 0.7497 0.7552 0.6742 0.7890 0.7350 0.6980 0.7665 0.7546 0.7571 0.7552 0.6503 0.7500 0.7426 0.5740 0.4041 0.6024 0.6345 0.7214 0.7687 0.6822 0.6778 0.7016 0.5772 0.6599 0.4546 0.4807 0.4253 0.3969 0.5049 0.4935 0.5005 0.4343 0.4343 0.7413 0.4058 0.6328 0.7666 0.7634 0.5902 0.7532 0.7639 0.7668 0.7602 0.7746 0.7582 0.7594 0.7544 0.7510 0.7517 0.7666 0.7437 0.6027 0.7412 0.6844 0.6663 0.6816 0.6853 0.6774 0.6791 0.6749 0.6788 0.6608 0.6759 0.7493 0.7025 0.5582 0.5969 0.7078 0.5784 0.7052 0.5080 0.6478 0.5977 0.5721 0.7410 0.7151 0.7044 0.4216 0.6111 0.7531 0.6217 0.5547 0.5305 0.6502 0.5337 0.5673 0.7991 0.6406 0.5999 0.5208 0.5461 0.6619 0.5715 0.5784 0.7483 0.4452 0.6017 0.4827 0.6060 0.5696 0.5904 0.5686 0.5893 0.5905 0.4859 0.5013 0.5076 0.6304 0.4945 0.6355 0.6564 0.5119 0.4781 0.7685 0.6775 0.6501 0.6019 0.7107 0.5017 0.6123 0.6057 0.7720 0.5233 0.4864 0.4923 0.4895 0.6592 0.4828 0.5751 0.5423 0.5208 0.5286 0.6906 0.5858 0.6160 0.6092 0.6072 0.6004 0.4516 4_Coumarate 0.6072 0.6159 0.6096 0.6073 0.6298 0.6317 0.6117 0.6166 0.6250 0.6022 0.6240 0.6102 0.6243 0.6234 0.6169 0.6052 0.6228 0.6338 0.6134 0.6115 0.8516 0.5629 0.6516 0.6947 0.7258 0.7215 0.6400 0.6329 0.6469 0.6739 0.6263 0.6305 0.5806 0.5341 0.7159 0.6658 0.6429 0.6214 0.5530 0.6218 0.5698 0.6629 0.6661 0.7181 0.6642 0.7236 0.6535 0.6392 0.7433 0.6632 0.6535 0.7349 0.6299 0.6684 0.7216 0.6586 0.7197 0.6462 0.6226 0.5710 0.5742 0.5738 0.5676 0.5726 0.5730 0.5615 0.5728 0.5770 0.5650 0.6680 0.6506 0.6498 0.6646 0.6521 0.6647 0.6580 0.6525 0.5801 0.6543 0.6347 0.6489 0.6705 0.6516 0.6728 0.5908 0.6459 0.6849 0.6582 0.6352 0.6657 0.6762 0.6294 0.6376 0.6846 0.6563 0.6594 0.6512 0.6610 0.6918 0.6603 0.8207 0.6667 0.7299 0.6365 0.6471 0.6872 0.6584 0.6516 0.5558 0.5956 0.5862 0.5100 0.5537 0.5149 0.8370 0.6154 0.6791 0.7534 0.6912 0.7085 0.7644 0.6724 0.6834 0.6704 0.6823 0.7182 0.6571 0.6462 0.6973 0.6137 0.6523 0.6267 0.5952 0.6279 0.5807 0.6273 0.6425 0.6291 0.6273 0.7465 0.6481 0.6410 0.6391 0.7093 0.6427 0.6245 4_Hydroxybenzoate 4-Hydroxybenzoic acid 0.7066 0.7082 0.7140 0.5511 0.7134 0.7239 0.7091 0.5695 0.7128 0.7147 0.7397 0.7029 0.7171 0.7145 0.7101 0.7145 0.7040 0.7335 0.7045 0.7064 0.8008 0.8530 0.7903 0.9248 0.7993 0.8039 0.7948 0.7926 0.5436 0.4440 0.4114 0.4277 0.7454 0.4063 0.7689 0.7781 0.7532 0.7655 0.7541 0.7686 0.7604 0.7585 0.7743 0.7631 0.7566 0.7467 0.7771 0.7527 0.7670 0.7665 0.7958 0.7333 0.7385 0.7305 0.7398 0.7365 0.7334 0.7270 0.7360 0.7292 0.7336 0.7308 0.7406 0.7878 0.7881 0.7605 0.7731 0.7649 0.7722 0.7727 0.6591 0.7698 0.7855 0.7973 0.7587 0.7654 0.7704 0.7733 0.7879 0.7555 0.7596 0.7792 0.4643 0.7814 0.5695 0.8866 0.7885 0.7889 0.7900 0.5042 0.8701 0.7835 0.7970 0.7923 0.6691 0.6711 0.6581 0.5098 0.7923 0.8875 0.5773 0.5458 0.9135 0.8056 0.8003 0.8064 0.7994 0.7872 0.7954 0.8456 0.5730 0.6142 0.7933 0.6581 0.7782 0.7848 0.8003 0.7882 0.7861 0.7972 0.7968 0.7778 4_hydroxybutyric_acid 4-Hydroxybutyric acid 1.0451 1.0540 1.0180 1.0606 1.0682 1.0625 1.0122 1.0742 1.0825 1.0515 1.0217 1.0553 1.0607 1.0139 1.0512 1.0484 1.0498 1.0361 1.0505 1.0387 0.9415 0.7346 0.8645 1.0057 1.0255 0.9079 0.8964 0.9245 0.7898 0.8068 0.7928 0.7849 0.7003 0.6851 0.8272 0.6496 0.7486 0.7267 0.7054 1.0514 0.7423 1.0390 1.0492 1.0487 1.0311 1.0463 1.0365 1.0361 1.0522 1.0469 1.0395 1.0503 0.8856 1.0339 1.0506 1.0361 1.0496 0.8955 1.0411 0.9490 1.0369 1.0413 1.0434 1.0375 1.0225 1.0467 0.9345 1.0361 1.0366 0.9978 0.9972 1.0230 0.9954 1.0250 1.0210 0.9962 0.7316 0.9987 1.0078 1.0086 1.0328 0.9910 1.0010 0.7682 1.0087 1.0368 0.9864 0.8285 0.7374 0.8571 0.8062 0.7881 0.9897 0.8290 0.8415 0.7459 0.8102 0.8689 0.7954 0.8803 0.7719 0.9445 0.6848 0.8113 0.7536 0.7787 0.8632 0.8120 0.9828 0.7716 0.9818 0.6690 0.9748 0.7320 0.8823 0.9883 0.9265 0.9980 0.7803 0.7133 1.0118 0.8898 1.0104 0.8892 0.9163 0.8375 1.0005 0.8168 0.9980 0.8227 0.8080 0.7834 0.8029 0.8894 0.8374 0.8811 0.9907 0.8618 0.9798 0.9809 0.9962 0.8184 0.8413 0.8230 0.9916 0.7571 4_Hydroxyphenylpyruvic_acid 4-Hydroxyphenylpyruvic acid 0.6214 0.5507 0.5624 0.5402 0.6691 0.6905 0.6029 0.6241 0.6694 0.5217 0.6516 0.6942 0.5865 0.5855 0.6188 0.5178 0.5807 0.6133 0.5767 0.5708 1.0532 0.7612 0.6239 0.6119 0.5723 0.6260 0.6138 0.5439 0.5930 0.6348 0.6248 0.6591 0.7481 0.7367 0.7823 0.8321 0.7238 0.6982 0.8131 0.7462 0.5920 0.6357 0.6399 0.5740 0.6301 0.5635 0.6480 0.5882 0.6062 0.5973 0.5857 0.5729 0.6309 0.6310 0.6239 0.5830 0.6539 0.5990 0.5812 0.5036 0.5122 0.4800 0.4732 0.4930 0.4911 0.4913 0.6224 0.4674 0.6127 0.6186 0.6402 0.6374 0.6217 0.6338 0.6337 0.6223 0.6787 0.6320 0.6045 0.6383 0.6421 0.6221 0.5997 0.6342 0.6334 0.6456 0.6424 0.5990 0.7647 0.6982 0.7300 0.6708 0.6818 0.7362 0.6187 0.8852 0.6663 0.6811 0.7369 0.5548 0.7709 0.7129 0.7027 0.5772 0.5543 0.6946 0.5364 0.5291 0.4848 0.5544 1.0233 0.5336 0.5393 0.6482 0.6440 0.6139 0.6535 0.5457 0.6065 0.5748 0.5463 0.7404 0.6551 0.5916 0.6652 0.6069 0.5845 0.6250 0.5691 0.6260 0.7843 0.5493 0.6432 0.6528 0.6216 0.8266 0.6300 0.6380 0.6430 0.7052 0.6334 0.6599 4_Hydroxypyridine 4-Pyridone 0.7735 0.7611 0.7701 0.7561 0.7677 0.7725 0.7603 0.7796 0.7798 0.7488 0.7675 0.7760 0.7701 0.7714 0.7618 0.7617 0.7619 0.7791 0.7630 0.7541 0.8607 0.6194 0.6067 0.7370 0.6775 0.5854 0.6004 0.5799 0.6660 0.5378 0.5903 0.6302 0.6030 0.6016 0.6853 0.7132 0.6068 0.6479 0.6146 0.7825 0.5931 0.6168 0.7475 0.7487 0.7376 0.7479 0.7386 0.7417 0.7511 0.7508 0.7548 0.7486 0.7529 0.7402 0.7522 0.7438 0.7482 0.5831 0.7450 0.5293 0.5302 0.5008 0.4554 0.5014 0.4842 0.4997 0.4978 0.5154 0.5178 0.7512 0.7277 0.7341 0.7447 0.7412 0.7446 0.7382 0.7389 0.7058 0.7427 0.5576 0.7338 0.7470 0.7453 0.7448 0.6752 0.7366 0.7503 0.7471 0.6108 0.7332 0.5464 0.6163 0.6414 0.6547 0.5048 0.5313 0.6123 0.6500 0.6736 0.5493 0.7848 0.6035 0.5978 0.6214 0.6011 0.6580 0.6391 0.5727 0.5404 0.4792 0.5431 0.4951 0.4723 0.4285 0.5092 0.9236 0.5075 0.5581 0.6289 0.6181 0.6103 0.6958 0.5874 0.5480 0.5661 0.5765 0.6991 0.5092 0.4955 0.6288 0.6073 0.6077 0.6024 0.6179 0.5866 0.5413 0.5894 0.6253 0.5701 0.6135 0.7682 0.6278 0.5254 0.5350 0.6859 0.6296 0.6001 4_Methylumbelliferone 4-Methylumbelliferone 0.4257 0.4156 0.4041 0.4179 0.4142 0.4093 0.4070 0.4071 0.4051 0.3923 0.3374 0.4283 0.4172 0.4244 0.4007 0.4379 0.4189 0.4157 0.4061 1.0294 0.5778 0.4961 0.5514 0.5151 0.5809 0.5222 0.4968 0.5179 0.8835 0.4894 0.8449 0.5490 0.4994 0.6067 0.9045 0.5753 0.8214 0.7084 0.5385 0.4225 0.4398 0.4588 0.4414 0.4230 0.4571 0.4347 0.4600 0.4630 0.4413 0.4365 0.4616 0.4383 0.4923 0.4304 0.4267 0.4817 0.4291 0.4661 0.4130 0.4274 0.4171 0.4270 0.4002 0.4158 0.4098 0.4081 0.4335 0.4145 0.4506 0.4007 0.4040 0.4350 0.4260 0.4068 0.4103 0.4526 0.4336 0.4157 0.4288 0.4144 0.4290 0.4146 0.4151 0.6180 0.4823 0.6896 0.7366 0.5653 0.4670 0.5056 0.6988 0.7393 0.7175 0.5096 0.8972 0.5710 0.5819 0.6266 0.7933 0.6993 0.8054 0.4960 0.4921 0.3787 0.5474 0.3927 0.4534 0.3796 0.4592 0.8495 0.3959 0.5056 0.5546 0.8836 0.8541 0.5731 0.5025 0.4829 0.5058 0.5029 0.8928 0.4803 0.5181 0.5345 0.6395 0.8355 0.8086 0.4958 0.6406 0.4992 0.5310 0.5060 0.6597 0.8457 0.5166 0.5037 0.4815 0.8044 0.6900 0.8165 5_Aminolevulinic_acid 5-Amino-levulinic acid 0.6171 0.6126 0.6065 0.6223 0.6148 0.6234 0.6156 0.6220 0.6317 0.6154 0.6196 0.6174 0.6284 0.6300 0.6178 0.6073 0.6103 0.6387 0.6162 0.6076 1.1747 0.6924 0.6514 0.6980 0.6475 0.7439 0.6548 0.6569 0.6537 0.8721 0.6437 0.8609 0.6305 0.5737 0.6707 0.9528 0.6495 0.8554 0.8022 0.6248 0.7280 0.5415 0.6513 0.6397 0.6501 0.6400 0.6440 0.6506 0.6450 0.6542 0.6616 0.6488 0.6418 0.6407 0.6360 0.6459 0.6387 0.6449 0.6212 0.6433 0.5911 0.5901 0.5914 0.5948 0.5906 0.5921 0.5915 0.5885 0.5938 0.5868 0.6057 0.6036 0.6153 0.5973 0.6201 0.6022 0.6078 0.6324 0.4617 0.6067 0.5883 0.5909 0.5936 0.6418 0.6093 0.6163 0.6428 0.6143 0.6047 0.5717 0.7011 0.6468 0.8231 0.8236 0.7066 0.6531 0.6383 0.8588 0.8727 0.9355 0.6135 1.0100 0.8405 0.6819 0.6954 0.8179 0.7528 0.8686 0.6216 0.6183 0.6389 0.9092 0.4967 0.8142 0.6390 0.8180 0.9148 0.5058 0.6569 0.7289 0.8607 0.8607 0.7408 0.6566 0.6566 0.6479 0.6555 0.9120 0.6198 0.6145 0.6661 0.8002 0.8223 0.8487 0.7922 0.6032 0.8240 0.6197 0.6152 0.6131 0.7929 0.9789 0.6099 0.6205 0.6090 0.8894 0.7050 0.8480 5_Aminopentanoic_acid 5-Aminopentanoic acid 0.7794 0.7858 0.7801 0.7826 0.7916 0.7849 0.7836 0.7941 0.7932 0.7775 0.7863 0.7901 0.7794 0.7938 0.7849 0.7852 0.7859 0.7967 0.7877 0.7814 0.6302 0.3968 0.7138 0.7596 0.7648 0.8622 0.7558 0.7555 0.7606 0.7254 0.4066 0.4103 0.5489 0.5113 0.4264 0.4361 0.7696 0.4569 0.7560 0.7723 0.7699 0.7651 0.7617 0.7673 0.7685 0.6898 0.7776 0.7670 0.7660 0.7652 0.7665 0.7635 0.7686 0.7691 0.7496 0.7647 0.7579 0.7496 0.7595 0.7595 0.7534 0.7598 0.7531 0.7601 0.7490 0.7533 0.7429 0.7375 0.7387 0.7515 0.7497 0.7503 0.7497 0.7516 0.5739 0.7440 0.7394 0.7501 0.7530 0.7370 0.7470 0.6189 0.7396 0.7552 0.7238 0.7235 0.5204 0.7300 0.8487 0.7373 0.6412 0.7350 0.5665 0.8184 0.4321 0.6201 0.7457 0.7351 0.5707 0.6390 0.5173 0.5532 0.7624 0.8456 0.8515 0.7433 0.7345 0.7597 0.7623 0.5249 0.7344 0.7299 0.8207 0.7495 0.4759 0.7369 0.6513 0.7358 0.5808 0.5525 0.6582 0.7154 0.6948 0.5479 0.6687 5_Aminovaleric_acid 5-Aminopentanoic acid 0.7637 0.7951 0.8111 0.7679 0.7432 0.7598 0.8000 0.7704 0.7774 0.7669 0.7505 0.7645 0.7536 0.8065 0.7920 0.7966 0.7639 0.7328 0.8017 0.7934 0.5855 0.4583 0.6663 0.7151 0.7122 0.7731 0.6883 0.6678 0.7083 0.4905 0.7524 0.4764 0.4448 0.4204 0.4325 0.5348 0.5839 0.4520 0.3929 0.7875 0.4281 0.6788 0.7815 0.7878 0.7987 0.7835 0.8036 0.7816 0.7926 0.7937 0.7820 0.7702 0.7673 0.8018 0.7657 0.7950 0.7905 0.6552 0.7679 0.7589 0.6409 0.6139 0.6075 0.7397 0.6138 0.7313 0.7529 0.7297 0.7339 0.7765 0.6476 0.7759 0.7747 0.6860 0.7721 0.6927 0.6853 0.5241 0.7742 0.7732 0.7730 0.7749 0.6916 0.7798 0.5344 0.7825 0.7766 0.7526 0.6190 0.5532 0.7434 0.4877 0.4986 0.7446 0.6851 0.6647 0.4981 0.5319 0.5629 0.7465 0.5652 0.5282 0.8445 0.4140 0.6149 0.4196 0.5661 0.6578 0.6758 0.6322 0.6353 0.5866 0.6450 0.7037 0.7665 0.4837 0.7632 0.7609 0.6746 0.6799 0.7065 0.5186 0.6547 0.6972 0.7676 0.5272 0.6802 0.4898 0.7575 0.6684 0.7056 0.5654 0.5412 0.6697 0.6853 0.6679 0.5879 0.6617 0.5149 5_Dehydroquinic_acid 3-Dehydroquinate 0.7464 0.6685 0.7788 0.6765 0.6770 0.6931 0.6578 0.6842 0.6797 0.6563 0.7475 0.6798 0.7117 0.7726 0.7579 0.6538 0.6615 0.7394 0.6654 0.6365 1.0804 0.6029 0.9611 0.8332 0.8236 0.9463 0.8097 0.8027 0.8065 0.8341 0.7686 0.7659 0.7397 0.5769 0.7716 0.8902 0.8843 0.7818 0.8082 0.7252 0.7196 0.6833 0.7905 0.7565 0.7567 0.7496 0.7563 0.7488 0.7533 0.7754 0.7804 0.7145 0.7595 0.7292 0.7392 0.7560 0.7322 0.7626 0.6780 0.7710 0.7018 0.6955 0.7044 0.7032 0.6988 0.7041 0.6890 0.6841 0.6888 0.6869 0.7342 0.7359 0.7493 0.7506 0.7579 0.7639 0.7554 0.7598 0.7636 0.7563 0.7394 0.7410 0.7501 0.7387 0.7551 0.6512 0.7434 0.7700 0.7497 0.7330 0.7935 0.7777 0.8822 0.8907 0.8752 0.9589 0.6919 0.8346 0.8428 0.9424 0.7249 0.9839 0.7315 0.8637 0.7450 0.7257 0.7997 0.8173 0.7057 0.7686 0.6863 0.6537 0.6872 0.5856 0.7028 0.5781 0.9241 0.6667 0.7870 0.8812 0.6901 0.7565 0.8861 0.7926 0.7795 0.6949 0.6994 0.7708 0.7747 0.7731 0.8632 0.7332 0.6544 0.7753 0.7152 0.7712 0.8449 0.8028 0.7203 0.7546 0.7283 0.8308 0.7351 0.7375 0.6750 0.8696 0.7462 0.7635 5_Hydroxyanthranillic_acid 0.5538 0.5725 0.5845 0.5838 0.5818 0.5765 0.5735 0.5776 0.5911 0.5713 0.5069 0.5652 0.4978 0.5841 0.5735 0.5557 0.5731 0.5881 0.5835 0.5635 0.7546 0.7146 0.7680 0.7129 0.7619 0.6693 0.7143 0.7158 0.5967 0.6559 0.4580 0.5079 0.6934 0.5268 0.5302 0.6501 0.6227 0.6358 0.6259 0.6329 0.6323 0.6257 0.6285 0.6426 0.6447 0.6347 0.6235 0.6371 0.6305 0.6350 0.6360 0.6462 0.5885 0.6390 0.5502 0.5463 0.5615 0.5523 0.5557 0.5596 0.5499 0.5614 0.5454 0.5563 0.6002 0.5950 0.6137 0.6117 0.6102 0.6167 0.6096 0.6153 0.5993 0.5646 0.5999 0.5985 0.6012 0.6198 0.5224 0.6005 0.6273 0.6068 0.5650 0.7003 0.7749 0.7017 0.6969 0.6903 0.5724 0.4741 0.7680 0.5192 0.6144 0.6113 0.5484 0.6987 0.6930 0.4483 0.4661 0.4691 0.4606 0.7233 0.7964 0.4901 0.4694 0.8147 0.7218 0.7170 0.7093 0.7196 0.6312 0.6245 0.6952 0.5951 0.5942 0.5954 0.6218 0.5585 0.6984 0.5901 0.6129 0.6526 0.5723 0.6122 0.6206 0.6126 0.5833 0.6878 0.5458 5_Hydroxylysine 5-Hydroxylysine 0.5175 0.6547 0.6359 0.6920 0.7012 0.5788 0.5460 0.6844 0.6555 0.6583 0.5699 0.6746 0.5630 0.5617 0.6748 0.5104 0.5647 0.5990 0.5483 0.6763 1.1244 0.7620 0.5882 0.7233 0.6706 0.7917 0.6858 0.5821 0.6585 0.9088 0.6841 0.8608 0.7047 0.6566 0.7225 0.9834 0.6704 0.8768 0.8167 0.6644 0.7191 0.5577 0.7143 0.7009 0.6874 0.6586 0.5769 0.5949 0.6895 0.6693 0.6875 0.6786 0.6837 0.6424 0.5443 0.6746 0.6623 0.6349 0.6608 0.6706 0.5730 0.6711 0.6885 0.5438 0.6142 0.6892 0.6817 0.5923 0.6831 0.5080 0.6544 0.6450 0.5670 0.5810 0.6541 0.6353 0.6472 0.5635 0.4582 0.6266 0.5509 0.5815 0.6686 0.5930 0.6685 0.5039 0.6755 0.6903 0.5874 0.5381 0.7743 0.6901 0.8419 0.8468 0.7628 0.6983 0.6809 0.8787 0.8993 0.9451 0.5452 1.0527 0.8700 0.6074 0.7459 0.8224 0.8160 0.8960 0.6571 0.6732 0.4496 0.8889 0.5366 0.7254 0.4940 0.7944 0.9619 0.5365 0.6945 0.6972 0.8551 0.8660 0.7728 0.6648 0.7046 0.6608 0.6832 0.9499 0.6695 0.6377 0.7292 0.8002 0.8522 0.8558 0.7926 0.6536 0.8215 0.6602 0.6808 0.6666 0.8152 0.9955 0.6264 0.6727 0.6539 0.9117 0.7975 0.8538 5_Hydroxytryptophan 5-Hydroxy-tryptophan 0.5213 0.5166 0.5180 0.5226 0.5137 0.5089 0.5077 0.5140 0.5075 0.4937 0.5666 0.5215 0.5557 0.6443 0.5226 0.5048 0.4963 0.5263 0.4916 0.4994 0.8042 0.5918 0.6184 0.6068 0.7012 0.5820 0.5595 0.5528 0.6141 0.5700 0.6079 0.4427 0.4742 0.6671 0.6094 0.5601 0.4387 0.5467 0.5081 0.5860 0.5706 0.5759 0.5848 0.6177 0.5365 0.5275 0.5914 0.5494 0.5860 0.5546 0.5757 0.6156 0.5773 0.5323 0.5812 0.5853 0.4763 0.4911 0.4908 0.4782 0.4737 0.4742 0.4812 0.4822 0.4941 0.4802 0.5525 0.5433 0.5514 0.5109 0.5537 0.5672 0.5684 0.5678 0.5644 0.5416 0.5306 0.5534 0.5458 0.5496 0.5304 0.5469 0.5665 0.5617 0.5360 0.5834 0.6103 0.6385 0.6705 0.5896 0.5866 0.6399 0.6304 0.6409 0.5596 0.7217 0.6179 0.6485 0.4942 0.5572 0.5799 0.6205 0.5862 0.5787 0.3449 0.4398 0.4742 0.4230 0.4493 0.4545 0.5454 0.6391 0.6012 0.6026 0.6594 0.5974 0.5742 0.5683 0.5487 0.6546 0.6200 0.5766 0.6536 0.6106 0.6432 0.6037 0.6046 0.5890 0.5875 0.5959 0.5740 0.5721 0.5430 0.6557 0.5554 0.5560 0.5626 0.5040 0.5644 0.5752 6_Aminohexanoic_acid 6-Aminocaproic acid 0.8145 0.8154 0.8879 0.8812 0.8252 0.7895 0.8804 0.8350 0.8315 0.8698 0.8839 0.8783 0.7755 0.8244 0.8107 0.8128 0.8742 0.7819 0.8702 0.8590 0.8113 0.7360 0.8115 0.8661 0.7985 0.9642 0.8524 0.8404 0.8145 0.7675 0.8084 0.6890 0.7620 0.7442 0.5925 0.7642 0.7361 0.7243 0.6519 0.7433 0.8983 0.7170 0.7430 0.8548 0.8519 0.8511 0.8449 0.8574 0.8470 0.8350 0.8637 0.8437 0.8486 0.8441 0.8460 0.8434 0.8920 0.8350 0.8220 0.8904 0.7837 0.7839 0.7858 0.7868 0.7818 0.7579 0.7824 0.8580 0.7764 0.7813 0.8448 0.8117 0.8151 0.8423 0.8036 0.8545 0.8483 0.8056 0.7318 0.8117 0.8102 0.8148 0.8276 0.7856 0.7966 0.7959 0.8105 0.8643 0.7777 0.8012 0.7545 0.8422 0.7839 0.9559 0.8464 0.7856 0.6838 0.8212 0.6513 0.8178 0.7428 0.6674 0.9107 0.6048 0.8129 0.6674 0.7180 0.8327 0.8173 0.7997 0.6355 0.8300 0.4581 0.7643 0.6344 0.7948 0.7141 0.9174 0.9957 0.7444 0.6658 0.9454 0.8363 0.8184 0.8752 0.8421 0.6970 0.8225 0.8231 0.8776 0.8056 0.6982 0.7616 0.8144 0.8417 0.8015 0.8236 0.7975 0.8252 0.8025 0.7230 0.8118 0.8230 0.8155 0.6173 0.8164 0.7361 6_Carboxyhexanoate_Pimelic_acid 0.6511 0.6532 0.6570 0.6427 0.6533 0.6634 0.6470 0.6498 0.6636 0.6534 0.6802 0.6697 0.6495 0.6783 0.6548 0.6713 0.6398 0.6584 0.6720 0.6694 0.5725 0.5947 0.6456 0.7481 0.6614 0.6635 0.6322 0.6790 0.6542 0.6871 0.6767 0.6703 0.6794 0.6641 0.6814 0.6574 0.6621 0.6431 0.6211 0.6008 0.6615 0.6720 0.6669 0.6646 0.6640 0.5354 0.6045 0.6381 0.6310 0.6413 0.6413 0.6368 0.6378 0.6300 0.6308 0.6309 0.4953 0.6634 0.6864 0.7140 0.7186 0.6968 0.5916 0.6899 0.7048 0.6924 0.7025 0.6877 0.6776 0.6898 0.6886 0.6083 0.7049 0.6756 0.6800 0.6989 0.6388 0.7532 0.6598 0.6384 0.7008 0.5911 0.4782 0.5533 0.5058 0.5330 0.5146 0.5142 0.5353 0.6719 0.6355 0.7966 0.7031 0.6976 0.6978 0.6876 0.6364 0.6470 0.6911 0.4827 0.4790 0.6551 0.3613 0.6260 0.6039 0.6277 0.5090 0.6148 0.6256 0.6159 0.6179 6_Hydroxydopamine 6-Hydroxydopamine 0.8816 0.8935 0.9024 0.8981 0.9056 0.8979 0.8934 0.9048 0.9131 0.8851 0.8613 0.8934 0.8813 0.9051 0.8933 0.8827 0.8901 1.0103 0.8918 0.8832 1.0819 0.6992 0.9042 0.9660 0.9099 1.0401 0.9081 0.9012 0.9066 0.8323 0.8920 0.7988 0.7077 0.6941 0.7659 0.9051 0.7135 0.8007 0.8384 0.7078 0.9127 0.6582 0.8952 0.9117 0.9066 0.8980 0.9085 0.9000 0.9021 0.9131 0.9167 0.8993 0.9092 0.9037 0.8996 0.9092 0.9042 0.9132 0.8720 0.9048 0.8589 0.8659 0.8649 0.8649 0.8602 0.8697 0.8599 0.8631 0.8639 0.8607 0.8876 0.8619 0.8719 0.8841 0.8833 0.8920 0.8871 0.8846 0.7207 0.8807 0.8688 0.8640 0.8868 0.8827 0.8931 0.8356 0.8669 0.9017 0.8809 0.8635 0.7730 0.8925 0.7954 0.7796 0.9936 0.8893 0.8804 0.7784 0.8005 0.8058 0.8811 0.9573 0.7806 0.9781 0.7882 0.8530 0.8634 0.7921 0.8867 0.8860 0.7478 0.8282 0.9697 0.8101 0.9910 0.7980 0.9757 0.8623 0.9087 1.0100 0.8460 0.8044 1.0247 0.9098 0.8010 0.9046 0.9092 0.8493 0.8975 0.8877 0.9631 0.8202 0.7847 0.8131 0.8137 0.8867 0.8001 0.8935 0.8800 0.8849 0.8620 0.9542 0.8887 0.8900 0.8789 0.8455 0.8822 0.7831 acetaminophen Acetaminophen 0.5846 0.5826 0.5993 0.6979 0.6845 0.5992 0.5569 0.6782 0.6835 0.5820 0.7024 0.5861 0.5862 0.6872 0.6840 0.6918 0.6760 0.6528 0.5785 0.6926 0.6625 0.4910 0.7304 0.7642 0.7405 0.8490 0.7559 0.7495 0.7401 0.5973 0.7230 0.5143 0.5241 0.5086 0.5042 0.6279 0.6017 0.5669 0.5008 0.5008 0.7262 0.4750 0.6777 0.7364 0.7340 0.7349 0.7363 0.7398 0.7357 0.7382 0.7434 0.7280 0.7311 0.7377 0.7407 0.7266 0.7360 0.7443 0.7431 0.7319 0.6722 0.6502 0.6845 0.6782 0.6735 0.6690 0.6928 0.6949 0.6314 0.6887 0.7175 0.7491 0.7439 0.7161 0.7465 0.7330 0.7391 0.7556 0.5826 0.7475 0.7382 0.7061 0.7148 0.6799 0.7245 0.5367 0.7499 0.7026 0.6751 0.7024 0.6141 0.7596 0.5671 0.5830 0.8354 0.7398 0.6587 0.6607 0.6485 0.7432 0.6344 0.4452 0.8133 0.5111 0.5072 0.5333 0.6037 0.7428 0.7269 0.4893 0.5120 0.5330 0.4980 0.3639 0.6686 0.5814 0.7429 0.8387 0.5792 0.5794 0.8572 0.7315 0.7343 0.7532 0.7499 0.6455 0.7441 0.7170 0.8017 0.5805 0.5354 0.5599 0.5227 0.7380 0.5224 0.7544 0.5689 0.7319 0.5187 0.6370 0.6530 0.7032 0.7124 0.5971 0.6200 0.6008 aconitic_acid cis-Aconitic acid 0.8074 1.0051 1.0026 1.0038 1.0051 0.8009 0.8018 0.8114 0.8372 1.0061 1.0069 1.0035 0.8300 0.8476 1.0051 1.0056 0.8304 0.7958 1.0051 1.0059 1.1603 0.9777 0.9738 1.0421 0.9751 1.1157 0.9746 0.9755 0.9741 0.9766 0.9741 0.9801 0.9773 0.9774 0.9772 0.9720 0.9654 0.9795 0.9782 0.9762 0.9851 0.9859 0.9837 0.9846 0.9833 0.9818 0.9827 0.9820 0.9818 0.9840 0.9845 0.9833 0.9850 0.9828 0.9829 0.9849 0.9833 0.9843 0.9818 0.9825 0.7985 0.7938 0.8018 0.8014 0.7965 0.7993 0.7945 0.7951 0.7956 0.7937 0.9785 0.9756 0.9759 0.9785 0.7622 0.9790 0.9786 0.9778 0.9891 0.9788 0.9800 0.9805 0.9788 0.7671 0.9785 0.9821 0.9800 0.9782 0.9761 0.9821 0.9501 0.9677 0.9702 0.9715 1.0832 0.9677 0.9677 0.9714 0.9717 0.9689 0.9672 1.0626 0.9735 1.0709 0.9729 0.9691 0.9714 0.9743 0.9674 0.9688 0.5802 0.5831 0.6306 0.5636 0.5492 0.5614 0.8763 0.5033 0.9718 1.0767 0.9724 0.9742 1.0965 0.9708 0.9701 0.9683 0.9698 0.9698 0.9753 0.9742 1.0505 0.9749 0.9801 0.9786 0.9748 0.9728 0.9669 0.9745 0.9743 0.9759 0.9754 1.0897 0.9747 0.9746 0.9713 0.6439 0.9760 0.9767 Adenine Adenine 0.6770 0.6095 0.6409 0.6256 0.6403 0.7216 0.6244 0.6177 0.6465 0.7601 0.6112 0.7085 0.5167 0.7700 0.6272 0.6280 0.6077 0.6773 0.6364 0.6950 1.0098 0.7437 0.8114 0.7950 0.8476 0.8722 0.7471 0.7796 0.7422 0.9816 0.7309 0.8670 0.6777 0.6401 0.6554 0.9634 0.6685 0.7943 0.7440 0.6837 0.7085 0.6379 0.7036 0.8488 0.8096 0.8068 0.7206 0.7580 0.7232 0.7307 0.7111 0.7686 0.7349 0.7347 0.6978 0.7398 0.7450 0.8446 0.6730 0.7163 0.6277 0.5747 0.5729 0.5767 0.7438 0.5912 0.5850 0.5833 0.6187 0.5680 0.6251 0.5746 0.6296 0.6295 0.6284 0.7613 0.6461 0.7590 0.5908 0.6870 0.6194 0.5640 0.6532 0.5992 0.6177 0.6017 0.7278 0.6439 0.6309 0.6610 0.6592 0.7522 0.8011 0.7328 0.9053 0.7579 0.7375 0.7649 0.8057 0.8184 0.7110 0.9051 0.6879 0.7909 0.5523 0.7222 0.7572 0.6927 0.7148 0.7176 0.5937 0.7790 0.5537 0.6937 0.6936 0.7799 0.9111 0.6088 0.8830 0.7025 0.7697 0.7558 0.9483 0.7508 0.7482 0.7407 0.6361 0.8210 0.7095 0.8770 0.7540 0.7649 0.8119 0.7058 0.7177 0.7079 0.7128 0.7114 0.7069 0.7809 0.6874 0.8447 0.6930 0.7901 0.6889 0.9795 0.6941 0.8661 Adipate Adipic acid 0.8317 0.8469 0.8648 0.8631 0.8509 0.8254 0.8471 0.8526 0.8611 0.8352 0.7382 0.8284 0.8169 0.8558 0.8370 0.8381 0.8416 0.8820 0.8469 0.8354 1.0768 0.7297 0.8079 0.8641 0.8200 0.9184 0.8067 0.8337 0.8163 0.8213 0.7755 0.7674 0.6907 0.7004 0.7316 0.9071 0.6908 0.7770 0.7853 0.6958 0.8471 0.6906 0.7774 0.8498 0.8421 0.8515 0.8389 0.8546 0.8470 0.8489 0.8555 0.8487 0.8470 0.8468 0.8506 0.8426 0.8536 0.8414 0.7891 0.8432 0.7365 0.7161 0.7398 0.7355 0.7392 0.7027 0.7508 0.7249 0.7227 0.8232 0.7893 0.7311 0.8182 0.8019 0.8197 0.8127 0.7967 0.6725 0.7853 0.7784 0.7756 0.8242 0.8054 0.8024 0.7740 0.7831 0.8272 0.8018 0.7529 0.7464 0.8161 0.7694 0.7991 0.9190 0.8110 0.7823 0.8123 0.8054 0.9004 0.8071 0.9766 0.7605 0.8947 0.7266 0.7898 0.7913 0.8083 0.8207 0.8065 0.7117 0.6996 0.7476 0.5844 0.7254 0.6328 0.9870 0.7484 0.8196 0.8983 0.7489 0.7700 0.9188 0.8050 0.7807 0.8059 0.8208 0.8722 0.7955 0.8050 0.8810 0.7281 0.7699 0.7520 0.7462 0.7912 0.7455 0.7886 0.7926 0.7840 0.7507 0.9340 0.7870 0.8113 0.8074 0.8348 0.8155 0.7432 adrenaline Epinephrine 0.5951 0.5867 0.6039 0.6079 0.5887 0.6788 0.5938 0.6813 0.6682 0.5987 0.7891 0.6109 0.8022 0.6163 0.5894 0.5866 0.5975 0.6157 0.5959 0.5800 0.9235 0.6373 0.6695 0.7323 0.7146 0.7970 0.6904 0.7092 0.6958 0.7163 0.6577 0.6648 0.6003 0.6093 0.6302 0.7548 0.6261 0.6700 0.6716 0.6151 0.6168 0.5669 0.6587 0.6946 0.6473 0.6629 0.6457 0.6553 0.6685 0.6628 0.6529 0.6250 0.6659 0.6030 0.6452 0.6590 0.6378 0.6448 0.5732 0.6536 0.5805 0.6129 0.5731 0.5773 0.5764 0.5907 0.5675 0.5798 0.5944 0.6017 0.6503 0.6411 0.6360 0.6639 0.6547 0.6885 0.6776 0.6570 0.5965 0.6609 0.6300 0.6392 0.7882 0.6415 0.6618 0.5973 0.6355 0.6579 0.6430 0.6283 0.6650 0.6775 0.6737 0.6801 0.7553 0.6900 0.6499 0.6694 0.6906 0.7332 0.6795 0.8337 0.6667 0.7689 0.6435 0.6344 0.7029 0.6998 0.6803 0.6681 0.5121 0.6282 0.5139 0.5836 0.5268 0.5748 0.8455 0.5259 0.6775 0.7771 0.6895 0.7129 0.7653 0.7155 0.7059 0.7111 0.6924 0.7227 0.6915 0.7170 0.7294 0.6353 0.6756 0.6667 0.6178 0.6548 0.6180 0.6886 0.6215 0.6296 0.6203 0.7965 0.6427 0.6571 0.6313 0.7315 0.6309 0.6604 Agmatine_Sulfate Agmatine 0.7794 0.7858 0.7801 0.7821 0.7916 0.7849 0.7836 0.7941 0.7932 0.7775 0.7589 0.7901 0.7794 0.7938 0.7849 0.7852 0.7859 0.7967 0.7877 0.7814 0.3968 0.7138 0.7596 0.7648 0.8622 0.7558 0.7555 0.7606 0.7253 0.4066 0.4103 0.5004 0.5113 0.4264 0.4361 0.7696 0.4569 0.7560 0.7723 0.7699 0.7651 0.7617 0.7673 0.7685 0.7708 0.7776 0.7670 0.7660 0.7652 0.7665 0.7635 0.7686 0.7691 0.7496 0.7647 0.7579 0.7496 0.7595 0.7595 0.7534 0.7598 0.7531 0.7601 0.7490 0.7533 0.7429 0.7375 0.7387 0.7515 0.7497 0.7503 0.7497 0.7516 0.5739 0.7440 0.7394 0.7501 0.7530 0.7370 0.7470 0.6189 0.7396 0.7552 0.7238 0.7235 0.5204 0.7300 0.8487 0.7373 0.6412 0.7350 0.5665 0.8184 0.4321 0.6640 0.7457 0.7338 0.5498 0.6390 0.6030 0.5532 0.7627 0.8456 0.8515 0.7450 0.7345 0.7598 0.7623 0.7344 0.7299 0.8207 0.7495 0.4759 0.7369 0.6513 0.7358 0.5770 0.5525 0.6582 0.7154 0.6948 0.5479 0.6687 Alanine Alanine 0.7651 0.7657 0.7787 0.7665 0.7802 0.8082 0.7701 0.8035 0.8138 0.7649 0.8183 0.7777 0.7848 0.7646 0.7589 0.7545 0.7667 0.8330 0.7618 0.7527 0.6824 0.7342 0.6777 0.8235 0.7170 0.7169 0.7317 0.6565 0.4240 0.7452 0.8049 0.7630 0.7508 0.7610 0.7544 0.7628 0.7802 0.8241 0.7753 0.7564 0.7661 0.7407 0.7371 0.7331 0.7558 0.7624 0.7239 0.7683 0.7144 0.7091 0.7071 0.7102 0.7199 0.6991 0.7113 0.7318 0.7352 0.7084 0.7348 0.8345 0.8388 0.8007 0.8177 0.7896 0.8253 0.8296 0.6645 0.8100 0.8003 0.8380 0.7968 0.7868 0.7717 0.7659 0.8498 0.7794 0.8436 0.7905 0.4585 0.7534 0.8747 0.7588 0.6982 0.6843 0.8606 0.4016 0.6501 0.6819 0.6959 0.4669 0.4321 0.6034 0.6261 0.7099 0.7990 0.7885 0.7084 0.7091 0.6817 0.6812 0.7044 0.7345 0.8122 0.5072 0.4980 0.7537 0.4448 0.7122 0.7666 0.6629 0.6500 0.7038 0.7488 0.7801 0.6999 Allantoin Allantoin 0.6976 0.7646 0.7921 0.7861 0.7893 0.7112 0.7615 0.7731 0.7777 0.7673 0.6937 0.7312 0.7673 0.7749 0.7700 0.7279 0.7602 0.6578 0.7359 0.7317 0.7275 0.6161 0.6074 0.6885 0.6097 0.6884 0.6456 0.6551 0.5954 0.6440 0.5623 0.6666 0.5265 0.5525 0.5688 0.6096 0.5333 0.4931 0.7216 0.5676 0.7526 0.6475 0.5998 0.7856 0.7832 0.7854 0.7852 0.7838 0.7820 0.7739 0.7947 0.7658 0.7776 0.7589 0.7755 0.7668 0.7744 0.7748 0.7175 0.7829 0.5874 0.6495 0.6289 0.5932 0.5912 0.6322 0.6380 0.6450 0.6409 0.6738 0.6353 0.5846 0.5841 0.6031 0.5856 0.6198 0.6315 0.5792 0.6167 0.5526 0.5973 0.6145 0.6083 0.5767 0.6182 0.6203 0.5972 0.6126 0.6130 0.6231 0.5463 0.5708 0.6345 0.6499 0.6971 0.6200 0.6016 0.6302 0.6746 0.6018 0.5938 0.6568 0.6549 0.6004 0.5649 0.6178 0.6283 0.5976 0.5840 0.5795 0.6031 0.5222 0.6531 0.7000 0.6638 0.4807 0.8977 0.6364 0.6134 0.6445 0.6414 0.6369 0.6727 0.6370 0.6281 0.6129 0.6355 0.6661 0.6008 0.5690 0.6458 0.6004 0.6292 0.6585 0.6157 0.5557 0.5868 0.5705 0.5352 0.5775 0.5820 0.6280 0.6149 0.5534 0.6130 0.6409 0.6136 0.6350 Allose Allose 0.6894 0.6966 0.6997 0.6940 0.7044 0.6920 0.6913 0.6978 0.7096 0.6852 0.6826 0.6850 0.6854 0.6991 0.6865 0.6969 0.6770 0.6951 0.6879 0.8452 0.5399 0.6990 0.8081 0.7556 0.8693 0.7577 0.7591 0.7638 0.6903 0.7535 0.6492 0.5381 0.5728 0.5388 0.6982 0.6752 0.6472 0.6867 0.5364 0.7594 0.6188 0.7628 0.8253 0.7642 0.7602 0.7608 0.7610 0.7624 0.7596 0.7751 0.7436 0.7649 0.7176 0.7545 0.7314 0.7564 0.7057 0.7512 0.6813 0.6718 0.6874 0.6650 0.6754 0.6856 0.6665 0.6670 0.6701 0.6638 0.7155 0.7142 0.7200 0.7063 0.7032 0.7397 0.7735 0.7173 0.5968 0.7236 0.7289 0.7018 0.7346 0.7243 0.7412 0.6725 0.7104 0.7357 0.6974 0.7297 0.7169 0.6954 0.6509 0.6568 0.7786 0.6853 0.6865 0.6839 0.6650 0.6481 0.6204 0.8054 0.6498 0.8221 0.5497 0.6184 0.6412 0.6231 0.6859 0.6713 0.6476 0.6429 0.6770 0.6096 0.6758 0.6091 0.8905 0.6619 0.7663 0.7614 0.7473 0.6827 0.8652 0.6736 0.7662 0.7682 0.6885 0.7237 0.7375 0.7468 0.7946 0.6598 0.6583 0.6327 0.6743 0.6861 0.6848 0.7389 0.7212 0.7427 0.6905 0.7611 0.7480 0.6716 0.7416 0.6862 0.7388 0.6607 Allothreonine Allothreonine 0.7746 0.7914 0.8040 0.8042 0.7954 0.7591 0.7930 0.7906 0.7908 0.7790 0.7742 0.7774 0.7961 0.7870 0.7858 0.7742 0.7385 0.7904 0.7845 0.4523 0.7494 0.7915 0.8173 0.9031 0.7994 0.8319 0.7990 0.7358 0.4634 0.8280 0.7838 0.8345 0.8250 0.8457 0.8305 0.8556 0.8406 0.8265 0.8554 0.8425 0.8268 0.8400 0.8488 0.8270 0.8499 0.8257 0.8168 0.8238 0.7810 0.7755 0.7905 0.7814 0.7775 0.7860 0.8133 0.8024 0.7554 0.7886 0.7782 0.7866 0.7610 0.7806 0.7898 0.8018 0.7931 0.7907 0.4387 0.7901 0.8077 0.7485 0.7950 0.7697 0.7800 0.7028 0.8034 0.7754 0.7570 0.7894 0.7968 0.9126 0.8008 0.6877 0.7788 0.8594 0.7177 0.7963 0.7545 0.6678 0.7140 0.7031 0.7422 0.8182 0.8915 0.9297 0.8031 0.6959 0.8074 0.8246 0.8106 0.7634 0.8674 0.7685 0.8027 0.7032 0.7795 0.6750 0.6731 0.7467 0.7348 0.6941 alpha_aminoadipic_acid alpha-Aminoadipic acid 0.4987 0.4756 0.5295 0.5663 0.5319 0.5220 0.5143 0.5426 0.5610 0.5735 0.7046 0.4632 0.6881 0.5111 0.4589 0.4682 0.4960 0.5062 0.5325 0.4712 0.7276 0.4723 0.5157 0.5559 0.5912 0.6179 0.5522 0.6411 0.5698 0.5578 0.5112 0.5395 0.4152 0.3942 0.5112 0.4916 0.4826 0.4295 0.4714 0.5720 0.4767 0.5577 0.5545 0.5272 0.5666 0.5034 0.5544 0.5671 0.5285 0.5121 0.5615 0.5268 0.4933 0.4892 0.5228 0.5415 0.5559 0.5154 0.4221 0.4572 0.4620 0.4646 0.4612 0.5172 0.4496 0.4726 0.4798 0.4761 0.5309 0.5996 0.5258 0.6302 0.5544 0.5000 0.6512 0.6393 0.5936 0.5422 0.5326 0.6417 0.6224 0.5074 0.5391 0.6615 0.5108 0.4697 0.5329 0.5401 0.5066 0.6926 0.4962 0.5255 0.5162 0.5722 0.6845 0.5381 0.5087 0.6085 0.4931 0.4475 0.4564 0.4825 0.4916 0.4137 0.4904 0.5753 0.6427 0.4942 0.5454 0.5894 0.6366 0.5434 0.5119 0.5888 0.6141 0.5375 0.5926 0.5994 0.5124 0.5419 0.5621 0.4922 0.5323 0.6293 0.5321 0.5961 0.5872 0.5496 0.4959 0.5293 0.5555 0.5603 0.5257 Alpha_D_Glucose Glucose 0.7403 0.7391 0.7580 0.7178 0.7429 0.7433 0.7277 0.7310 0.7261 0.7357 0.7385 0.7469 0.7386 1.0004 0.7569 0.7542 0.7222 0.7579 0.7274 0.7299 1.1013 0.7325 0.8278 0.8791 0.8263 0.9499 0.8225 0.8005 0.8301 0.7931 0.8029 0.8025 0.6885 0.7272 0.7522 0.8689 0.8521 0.7870 0.8228 0.7108 0.7714 0.7162 0.8972 0.9489 0.8154 0.7947 0.7929 0.7965 0.7983 0.7716 0.8155 0.7718 0.8128 0.8020 0.7789 0.8156 0.7838 0.9986 0.7453 0.7933 0.7289 0.7281 0.7294 0.7317 0.7342 0.7432 0.7209 0.7142 0.6974 0.7161 0.7574 0.7761 0.7852 0.7894 0.7827 0.8057 0.9073 0.7879 0.6402 0.7890 0.7730 0.9122 0.7865 0.7936 0.7992 0.7666 0.7823 0.8070 0.7856 0.7745 0.8982 0.7923 0.9715 0.8528 0.9073 0.7833 0.7802 0.7433 0.7017 0.7274 0.7773 0.8935 0.7705 0.8845 0.7610 0.7803 0.8250 0.8537 0.8035 0.7968 0.6243 0.6627 0.7400 0.5572 0.7363 0.6105 0.8092 0.7523 0.8246 0.9485 0.8440 0.8452 0.9361 0.9077 0.8315 0.8300 0.8495 0.8227 0.7655 0.7903 0.8495 0.7718 0.7396 0.7141 0.7455 0.7974 0.8674 0.8003 0.7708 0.7973 0.7506 0.9627 0.8176 0.8203 0.8131 0.7834 0.8029 0.7959 alpha_Lactose Lactose 0.8425 0.8710 0.8689 0.8553 0.8792 0.8735 0.8676 0.8807 0.8964 0.8570 0.8135 0.8654 0.8351 0.8793 0.8697 0.8661 0.8467 0.8593 0.8732 0.8573 0.9859 0.5897 0.8642 0.9053 0.8839 1.0080 0.8803 0.8801 0.8867 0.6689 0.8616 0.7033 0.5827 0.5264 0.6366 0.7962 0.6733 0.6066 0.5942 0.6046 0.8672 0.6062 0.8633 0.9071 0.9019 0.8795 0.8826 0.8959 0.8977 0.8996 0.9089 0.8885 0.8962 0.8878 0.8933 0.8964 0.8970 0.9051 0.8615 0.8943 0.8518 0.8341 0.8649 0.8656 0.8487 0.8588 0.8333 0.8348 0.8301 0.8376 0.8586 0.8481 0.8326 0.8635 0.8315 0.8743 0.8685 0.8671 0.6328 0.8636 0.8440 0.8380 0.8730 0.8452 0.8745 0.7739 0.8245 0.8763 0.8083 0.8469 0.7404 0.8287 0.8066 0.7490 0.9689 0.8577 0.8343 0.7351 0.7650 0.6694 0.8657 0.8652 0.6510 0.9610 0.5955 0.8261 0.6980 0.7110 0.8745 0.8418 0.7873 0.7253 0.7956 0.6543 0.7931 0.6414 1.0281 0.8052 0.8804 0.9826 0.7465 0.7483 1.0021 0.8856 0.8758 0.8880 0.8893 0.7649 0.8646 0.8473 0.9371 0.7140 0.6737 0.6540 0.7257 0.8660 0.7478 0.8698 0.8612 0.8685 0.7953 0.8625 0.8697 0.8759 0.8691 0.7158 0.7494 0.7010 alpha_tocopherol alpha-Tocopherol 0.5644 0.5810 0.6008 0.5997 0.5939 0.5889 0.5882 0.6176 0.6180 0.6017 0.5433 0.5748 0.5464 0.5645 0.5190 0.5460 0.5922 0.5829 0.5764 0.5708 0.9207 0.6523 0.6560 0.7130 0.5414 0.7341 0.6649 0.6686 0.4889 0.6976 0.6494 0.6982 0.6997 0.6547 0.6365 0.7757 0.8017 0.6976 0.7128 0.6795 0.6802 0.7881 0.7003 0.7057 0.6927 0.6816 0.6934 0.6747 0.6260 0.6867 0.6757 0.6880 0.6852 0.6826 0.6777 0.7028 0.6798 0.6962 0.6985 0.6975 0.5830 0.6007 0.5842 0.5813 0.5911 0.5819 0.5980 0.5895 0.5980 0.5875 0.7015 0.6467 0.6606 0.6753 0.6576 0.6576 0.6456 0.6494 0.8072 0.6763 0.6683 0.6734 0.6643 0.6866 0.6662 0.6604 0.6610 0.6624 0.6663 0.6485 0.7268 0.6374 0.6447 0.7223 0.6764 0.6306 0.6032 0.6508 0.6917 0.7147 0.6617 0.8138 0.6692 0.7211 0.6741 0.6457 0.7100 0.6727 0.6471 0.6512 0.4524 0.6343 0.4417 0.5033 0.4634 0.5193 0.9851 0.4507 0.6494 0.7155 0.6466 0.7217 0.6495 0.6222 0.6462 0.7158 0.6258 0.6607 0.7230 0.6344 0.6764 0.6631 0.6495 0.6497 0.6575 0.6555 0.6650 0.6580 0.7817 0.6606 0.6490 0.6585 0.6594 0.6430 alpha_tocopherol_ alpha-Tocopherol 0.5855 0.5902 0.5917 0.6016 0.5904 0.5941 0.5824 0.6025 0.6154 0.5848 0.4475 0.5930 0.4537 0.5966 0.5839 0.5740 0.5739 0.6133 0.5793 0.5818 1.1069 0.6325 0.8136 0.8613 0.8093 0.9254 0.8024 0.7983 0.8033 0.8793 0.8067 0.8502 0.5885 0.4938 0.6816 0.9416 0.4911 0.8664 0.7945 0.6097 0.6688 0.6987 0.6866 0.6802 0.6703 0.7002 0.6706 0.6731 0.7089 0.6973 0.6607 0.6751 0.6711 0.6737 0.6850 0.6663 0.7093 0.6793 0.7057 0.6305 0.6312 0.6298 0.6252 0.6209 0.6135 0.6150 0.6170 0.6244 0.6202 0.7004 0.7005 0.7280 0.7139 0.7174 0.7177 0.7195 0.7266 0.7178 0.6653 0.6947 0.6838 0.7048 0.7375 0.6239 0.7066 0.7322 0.7141 0.6543 0.4599 0.7527 0.7805 0.8061 0.8319 0.7306 0.7391 0.8014 0.8372 0.8868 0.7999 0.9990 0.8511 0.8860 0.7078 0.7924 0.8021 0.8605 0.8007 0.8053 0.3546 0.3801 0.3577 0.3650 0.4040 0.3820 0.8127 0.9021 0.8439 0.8439 0.9262 0.8190 0.8230 0.8133 0.8130 0.9263 0.8065 0.7933 0.8607 0.7996 0.8406 0.8092 0.7950 0.7991 0.7490 0.7970 0.7790 0.7835 0.7905 0.9227 0.7972 0.8028 0.7858 0.8647 0.7835 0.8083 Amantadine Loratadine 0.7556 0.5042 0.5112 0.6403 0.5079 0.4997 0.5100 0.5041 0.6683 0.6277 0.6682 0.4938 0.7050 0.5167 0.5043 0.4910 0.5172 0.6627 0.5084 0.5051 0.8089 0.6545 0.7219 0.8169 0.6647 0.7233 0.5966 0.6138 0.6749 0.6099 0.6536 0.5856 0.7148 0.6821 0.5779 0.6579 0.6797 0.5214 0.6685 0.6869 0.5034 0.5929 0.8296 0.4872 0.6966 0.4775 0.5365 0.4991 0.5023 0.5359 0.6823 0.7642 0.5415 0.7679 0.7396 0.7511 0.4948 0.7282 0.5901 0.5295 0.6038 0.6126 0.6012 0.6052 0.6058 0.5958 0.6022 0.5131 0.6285 0.5459 0.5534 0.6752 0.6941 0.5348 0.6858 0.6908 0.5589 0.6901 0.5572 0.6983 0.5901 0.6172 0.6820 0.7076 0.7060 0.6818 0.6935 0.6966 0.6953 0.5909 0.6948 0.6703 0.6537 0.6621 0.7943 0.6635 0.7111 0.6332 0.6747 0.6645 0.6278 0.7479 0.6074 0.7480 0.5920 0.7960 0.6621 0.6427 0.6175 0.6456 0.5985 0.5120 0.5090 0.4740 0.5346 0.4488 0.8722 0.5024 0.5460 0.6500 0.5325 0.6160 0.7647 0.6367 0.6407 0.5458 0.6668 0.6682 0.6249 0.6403 0.7356 0.7591 0.5677 0.7915 0.6286 0.6622 0.5240 0.7350 0.6318 0.7998 0.7493 0.7968 0.6547 0.7296 0.6319 0.8098 0.5868 Aminoadipate Aminoadipic acid 0.8649 0.9565 0.9736 0.9456 0.9802 0.8769 0.9602 0.9971 1.0102 0.9452 0.8425 0.9743 0.8690 0.9623 0.9531 0.9432 0.9763 0.8956 0.9564 0.9288 1.1160 0.7901 0.7822 0.8623 0.8330 0.9246 0.8135 0.7000 0.8096 0.8570 0.8001 0.7841 0.8165 0.7718 0.7840 0.9288 1.0265 0.8085 0.8473 0.7773 0.8495 0.8297 0.7782 0.8545 0.8540 0.8502 0.8520 0.8517 0.8504 0.8607 0.8582 0.8475 0.8522 0.8516 0.8516 0.8557 0.8522 0.8561 0.8419 0.8481 0.8661 0.8539 0.8763 0.8820 0.8671 0.8793 0.8614 0.8651 0.7893 0.8629 0.8199 0.8298 0.8346 0.8128 0.8406 0.7603 0.7492 0.7757 0.8294 0.8384 0.7989 0.8306 0.7660 0.8215 0.7431 0.8567 0.7799 0.7797 0.8265 0.9679 0.7699 0.9145 0.9178 0.8183 0.7859 0.7435 0.8489 0.8739 0.9705 0.7933 1.0026 0.7968 0.8474 0.7882 0.7421 0.8574 0.7251 0.8016 0.7167 0.6766 0.7615 0.7124 0.6080 0.6956 0.6877 1.0923 0.7465 0.8277 0.7606 0.6245 0.7804 0.9361 0.8073 0.7140 0.8147 0.8309 0.9009 0.8485 0.7937 0.8974 0.7473 0.7921 0.7724 0.7512 0.8166 0.8693 0.8026 0.7649 0.7802 0.7637 0.9882 0.7751 0.8005 0.8101 0.8748 0.7639 0.5618 Anthranilic_acid 2-Aminobenzoic acid 0.7965 0.9248 0.9411 0.9300 0.9341 0.7061 0.9285 0.7390 0.8257 0.9294 0.9584 0.8260 0.7910 0.9361 0.9204 0.9229 0.7463 0.8831 0.9222 0.9033 1.1795 0.8460 0.8587 0.9374 0.8886 1.0204 0.9407 0.8898 0.8805 0.9176 0.8056 0.8589 0.8590 0.8549 0.8364 0.9837 0.8304 0.8828 0.8802 0.8392 0.7536 0.8585 0.9271 0.9742 0.9830 0.9655 0.9827 0.9701 0.9739 0.9873 0.9832 0.9671 0.9864 0.9814 0.9702 0.9852 0.9735 0.9847 0.9509 0.9827 0.8908 0.8909 0.8971 0.9007 0.8989 0.8912 0.8934 0.8926 0.8896 0.8923 0.9660 0.9362 0.9284 0.9541 0.7732 0.8963 0.8950 0.9132 0.8711 0.9487 0.9206 0.8316 0.9623 0.8794 0.9013 0.9506 0.9173 0.9630 0.9594 0.9353 0.8404 0.9099 0.8649 0.8776 1.0164 0.9165 0.8593 0.9060 0.8891 0.8321 0.7898 1.0556 0.8744 0.9522 0.7311 0.8355 0.8301 0.8961 0.8571 0.8804 0.8251 0.8281 0.9288 0.6775 0.7975 0.7170 1.1012 0.9448 0.9520 1.0500 0.8534 0.8558 1.0147 0.8944 0.8076 0.9336 0.8917 0.9669 0.8391 0.8800 0.9073 0.8440 0.8584 0.8542 0.8515 0.9235 0.8798 0.7735 0.8120 0.8201 0.8561 1.0112 0.8703 0.8377 0.8005 0.9336 0.8525 0.8338 Arabinose Arabinose 0.4895 0.5002 0.5623 0.5077 0.5068 0.5725 0.4806 0.4865 1.2230 0.7617 0.5907 0.6407 0.6045 0.6769 0.6125 0.5761 0.6009 0.9196 0.6279 0.8640 0.7631 0.7571 0.7932 1.0448 0.7715 0.9022 0.8718 0.7484 0.7596 0.5827 0.6075 0.5558 0.5788 0.6100 0.5485 0.5503 0.5887 0.5649 0.5538 0.5336 0.5662 0.5632 0.5614 0.5461 0.5415 0.5414 0.5201 0.5000 0.5044 0.5598 0.5447 0.4885 0.4925 0.5368 0.5104 0.5000 0.5265 0.4937 0.6663 0.4858 0.5123 0.4958 0.4965 0.5083 0.5327 0.5192 0.5061 0.4904 0.4962 0.8876 0.5847 0.7871 0.8359 0.5918 0.5735 0.5883 0.8583 0.8515 0.9665 0.5874 1.0226 0.8392 0.6041 0.7873 0.6752 0.8458 0.8536 0.5547 0.5472 0.4907 0.9295 0.5052 0.6104 0.5188 0.7575 1.1329 0.5149 0.6402 0.6708 0.8273 0.8199 0.6844 0.6035 0.5981 0.6014 0.6027 0.9832 0.5964 0.5661 0.6417 0.6970 0.8380 0.7996 0.6783 0.5739 0.6534 0.5666 0.6093 0.6073 0.6777 1.0119 0.6098 0.5826 0.5842 0.9150 0.6595 0.7934 Arabitol Arabitol 0.9827 0.9796 0.9747 0.9746 0.9765 0.9770 0.9753 0.9756 0.9750 0.9770 0.9873 0.9765 0.9776 0.9747 0.9804 0.9813 0.9796 0.9830 0.9798 0.9814 1.2052 1.0070 0.9899 1.0622 0.9295 1.1344 0.9900 0.9300 0.9235 1.0077 0.9918 1.0063 1.0076 1.0057 1.0087 1.0096 1.0102 1.0074 1.0069 1.0054 0.9977 1.0037 0.9954 0.9954 0.9832 0.9919 0.9932 0.9910 0.9867 0.9972 0.9960 0.9886 0.9972 0.9852 0.9926 0.9966 0.9952 0.9973 0.9867 0.9941 0.9727 0.9714 0.9728 0.9715 0.9727 0.9712 0.9720 0.9706 0.9705 0.9693 0.9738 0.9802 0.9826 0.9851 0.9820 0.9875 0.9548 0.9892 1.0058 0.9864 0.9864 0.9837 0.9893 0.9550 0.9928 0.9925 0.9848 0.9942 0.9940 0.9877 1.0089 0.9944 1.0065 1.0081 1.0071 0.9930 0.9914 1.0103 1.0105 1.0119 0.9853 1.1060 1.0045 1.0914 1.0053 0.9904 1.0079 1.0086 0.9856 0.9252 0.5048 0.5479 0.6433 0.5225 0.9779 0.5032 0.8384 0.6401 0.9969 1.0990 1.0068 1.0074 1.1185 0.9913 0.9942 0.9870 0.9179 1.0095 0.9935 0.9191 1.0683 0.9969 1.0059 1.0049 0.9930 0.9890 0.9974 0.9895 0.9911 0.9898 0.9934 1.1262 0.9931 0.9211 0.9183 1.0098 0.9952 1.0026 arachidonic_acid Arachidonic acid 0.5476 0.5656 0.5715 0.5675 0.5721 0.5606 0.5643 0.5684 0.5784 0.5721 0.5110 0.5165 0.5726 0.5854 0.5761 0.5677 0.5609 0.5797 0.5801 0.5558 1.0446 0.6107 0.6210 0.6534 0.6470 0.7276 0.6652 0.6409 0.6503 0.7310 0.6063 0.6387 0.5957 0.5471 0.6379 0.9510 0.6517 0.7214 0.7929 0.5799 0.6308 0.5901 0.6287 0.5756 0.6082 0.5881 0.5622 0.5639 0.5784 0.6107 0.5981 0.6168 0.6149 0.6008 0.5793 0.6065 0.5861 0.6028 0.5769 0.5745 0.5875 0.5689 0.5925 0.5939 0.5923 0.5862 0.5861 0.5830 0.6025 0.5719 0.5784 0.5971 0.5525 0.6115 0.6152 0.5737 0.6117 0.5736 0.5910 0.5438 0.6004 0.5972 0.6096 0.6157 0.5336 0.5035 0.5642 0.6320 0.6222 0.5969 0.6508 0.6261 0.6091 0.7183 0.6659 0.6034 0.6079 0.6785 0.7227 0.8963 0.6064 0.9188 0.7196 0.6934 0.6687 0.5869 0.6934 0.7764 0.6339 0.6209 0.4583 0.6366 0.4984 0.5115 0.4588 0.6722 0.9261 0.4726 0.6379 0.6976 0.6886 0.6956 0.7194 0.6611 0.6388 0.6472 0.6528 0.8014 0.6102 0.6257 0.6786 0.5933 0.6137 0.6932 0.5886 0.6164 0.6098 0.6252 0.5497 0.6043 0.5911 0.9271 0.5889 0.6142 0.5609 0.7244 0.5531 0.5997 Asparagine Asparagine 0.7883 0.7865 0.8239 0.8124 0.8070 0.7691 0.7947 0.8284 0.8362 0.8009 0.6262 0.8071 0.7003 0.7926 0.7837 0.7772 0.7909 0.6186 0.7786 0.7529 0.4968 0.4079 0.4833 0.6060 0.5565 0.6627 0.5553 0.5606 0.5015 0.4927 0.5146 0.5721 0.3965 0.3381 0.2684 0.4471 0.5278 0.3929 0.3482 0.5669 0.3724 0.5277 0.5507 0.5488 0.5492 0.5365 0.5581 0.5405 0.4912 0.5596 0.5225 0.5408 0.5099 0.5471 0.5174 0.5233 0.5103 0.5084 0.5603 0.6640 0.6851 0.6740 0.6679 0.6652 0.7056 0.6257 0.6336 0.7529 0.6746 0.4694 0.5621 0.5478 0.4819 0.4836 0.5627 0.5135 0.4085 0.5456 0.4823 0.4851 0.4751 0.5511 0.5370 0.4882 0.5148 0.6022 0.5558 0.5034 0.4715 0.5918 0.6154 0.5532 0.5341 0.4202 0.5369 0.6219 0.3853 0.5428 0.4242 0.5114 0.5659 0.5497 0.3916 0.5038 0.4130 0.4210 0.5228 0.4232 0.5397 0.5598 0.4934 0.5313 0.6029 0.5585 0.5091 0.4932 0.5394 0.5354 0.4986 0.5352 0.5577 0.4980 0.5150 0.4908 0.4406 0.5549 0.5081 0.5342 0.4746 0.4978 0.5021 0.4108 0.5318 0.4763 0.4946 0.5921 0.4724 0.5020 aspartic_acid Aspartic acid 0.6983 0.6983 0.7183 0.7402 0.7118 0.6923 0.7099 0.7075 0.7254 0.7177 0.7190 0.6901 0.6882 0.7138 0.7104 0.7123 0.7036 0.8838 0.7100 0.7134 0.5912 0.4331 0.7052 0.7434 0.7626 0.8422 0.7431 0.7734 0.7268 0.7256 0.4436 0.4670 0.4169 0.3966 0.5129 0.4525 0.4378 0.4473 0.7238 0.4597 0.7391 0.7628 0.7645 0.7609 0.7571 0.7663 0.7490 0.7527 0.7693 0.7490 0.7526 0.7525 0.7674 0.7225 0.7580 0.7447 0.7543 0.7565 0.7207 0.7056 0.7376 0.7344 0.7613 0.7149 0.7267 0.7214 0.6814 0.7217 0.7319 0.7509 0.7170 0.7265 0.7617 0.7479 0.7422 0.7576 0.3928 0.7448 0.7571 0.7090 0.7423 0.7129 0.7347 0.5792 0.7550 0.7240 0.7073 0.7324 0.5797 0.7574 0.4910 0.5099 0.8379 0.7413 0.6605 0.5222 0.7361 0.5366 0.4599 0.7866 0.4558 0.6068 0.4572 0.4903 0.7434 0.7020 0.4798 0.5663 0.3746 0.4913 0.3690 0.5867 0.7615 0.8362 0.4833 0.4805 0.8590 0.7388 0.7098 0.7380 0.7615 0.7607 0.7008 0.8041 0.5305 0.4671 0.4641 0.4806 0.7269 0.7626 0.5834 0.7429 0.5651 0.6567 0.6875 0.7013 0.4835 0.6349 0.4574 Azelate Azelaic acid 0.7022 0.6842 0.6915 0.6705 0.6930 0.7055 0.6876 0.6989 0.7148 0.6763 0.6902 0.6996 0.6838 0.7007 0.6866 0.7017 0.6945 0.7616 0.7009 0.6881 1.0098 0.7186 0.6618 0.6708 0.4284 0.6821 0.6446 0.7974 0.7440 0.6923 0.7124 0.6785 0.7737 0.7085 0.7455 0.7736 0.7098 0.7158 0.5665 0.7681 0.7468 0.7414 0.7390 0.7423 0.7452 0.7374 0.7195 0.7478 0.7293 0.7368 0.7394 0.7432 0.7436 0.7426 0.7474 0.7491 0.7492 0.6724 0.6651 0.6854 0.6819 0.6756 0.6849 0.6786 0.6667 0.6666 0.6668 0.6953 0.6445 0.6760 0.6709 0.7175 0.6118 0.6620 0.7005 0.6246 0.7468 0.6184 0.7003 0.7137 0.6911 0.7208 0.6909 0.6663 0.6630 0.6713 0.7626 0.7273 0.7974 0.7151 0.6897 0.7399 0.7359 0.6802 0.6603 0.8571 0.7399 0.7372 0.7037 0.6282 0.7999 0.5489 0.6537 0.7232 0.5762 0.7215 0.6551 0.6440 0.6673 0.6504 1.1664 0.7513 0.7090 0.7024 0.7644 0.8063 0.6583 0.7249 0.6819 0.6535 0.7209 0.5601 0.7217 0.7713 0.6786 0.6371 0.6692 0.6601 0.6346 0.9254 0.5902 0.6042 0.6800 0.7609 0.6673 0.5882 Benzoate Benzoic acid 0.5418 0.5786 0.4693 0.5637 0.5688 0.5225 0.5491 0.5719 0.5106 0.5299 0.5496 0.5397 0.5498 0.5673 0.5478 0.5402 0.5463 0.5381 0.5597 0.5336 0.7388 0.4317 0.6375 0.6781 0.6672 0.7565 0.6516 0.6503 0.6501 0.6056 0.6045 0.5713 0.5143 0.4884 0.4511 0.5778 0.5505 0.5700 0.5127 0.4791 0.6010 0.4570 0.5923 0.6069 0.6061 0.6043 0.5850 0.5999 0.6002 0.6096 0.6160 0.5898 0.6087 0.6006 0.5988 0.6060 0.6011 0.6073 0.5757 0.6166 0.5119 0.4818 0.5286 0.5582 0.4797 0.5486 0.5361 0.5408 0.5466 0.5468 0.5973 0.5893 0.5898 0.6031 0.5969 0.6074 0.6038 0.6167 0.4791 0.6091 0.5750 0.5771 0.5942 0.5891 0.6097 0.5297 0.5800 0.6169 0.6061 0.5548 0.5839 0.6193 0.6314 0.6480 0.6691 0.6029 0.6052 0.6527 0.6528 0.6842 0.5988 0.6944 0.5840 0.6697 0.5702 0.5473 0.5773 0.5845 0.6175 0.6152 0.4651 0.5172 0.4744 0.3851 0.5285 0.5400 0.5180 0.4640 0.6164 0.7050 0.5798 0.6126 0.7151 0.6319 0.6092 0.6296 0.6388 0.6387 0.6252 0.6175 0.7092 0.5641 0.6063 0.5890 0.5619 0.6361 0.6021 0.6427 0.6101 0.6190 0.5619 0.6459 0.6088 0.6157 0.5989 0.5458 0.5774 0.5631 beta_alanine beta-Alanine 0.7963 0.8074 0.8213 0.8199 0.8145 0.7985 0.8141 0.7160 0.7226 0.8099 0.7077 0.7989 0.6543 0.8163 0.8062 0.8106 0.8013 0.6909 0.8119 0.8052 0.2979 0.7719 0.8003 0.8676 0.9832 0.8561 0.8655 0.8565 0.8343 0.5330 0.3006 0.4351 0.8669 0.7430 0.8811 0.8654 0.8747 0.8655 0.8814 0.8732 0.8668 0.8843 0.8768 0.8657 0.8699 0.8755 0.8617 0.8795 0.8520 0.8652 0.8626 0.8193 0.8035 0.8186 0.8192 0.8116 0.8075 0.8126 0.8131 0.8042 0.8088 0.8202 0.8458 0.8358 0.8468 0.8282 0.8475 0.8475 0.8280 0.7642 0.8174 0.8416 0.8526 0.8386 0.8380 0.8381 0.6554 0.8501 0.8330 0.8177 0.8159 0.3534 0.8237 0.9604 0.8291 0.6644 0.4165 0.8338 0.9442 0.6341 0.8548 0.8356 0.5806 0.7494 0.5559 0.7530 0.8525 0.9496 0.3653 0.9758 0.8584 0.8428 0.8637 0.8669 0.8343 0.8236 0.9243 0.4092 0.4030 0.8431 0.4367 0.8291 0.7328 0.7751 0.6091 0.8260 0.8014 0.6842 beta_gentiobiose beta-Gentiobiose 0.5101 0.6197 0.6304 0.8976 0.8858 0.5941 0.5911 0.6048 0.6161 0.6690 0.5646 0.4443 0.5447 0.6354 0.8594 0.6174 0.6438 0.6281 0.6514 0.9574 0.5873 0.7476 0.7950 0.7524 0.8543 0.7544 0.7072 0.7054 0.7416 0.7330 0.7012 0.5902 0.5511 0.6168 0.8259 0.6617 0.7094 0.6859 0.5732 0.6211 0.6190 0.6083 0.5953 0.5694 0.6082 0.5999 0.5698 0.5683 0.6436 0.5963 0.5775 0.5762 0.6187 0.5813 0.5782 0.6147 0.6539 0.5677 0.5982 0.9113 0.9181 0.9173 0.9160 0.6674 0.9088 0.6466 0.9052 0.6867 0.9059 0.5635 0.5864 0.6046 0.5570 0.5632 0.5492 0.5880 0.6111 0.6044 0.5903 0.5260 0.5551 0.5354 0.5363 0.5751 0.5207 0.5925 0.5774 0.5410 0.5118 0.6116 0.6383 0.6588 0.6867 0.7080 0.6412 0.6255 0.6584 0.6839 0.7049 0.7053 0.8186 0.7159 0.7919 0.6240 0.6918 0.6770 0.7120 0.7044 0.7070 0.9094 0.8755 0.8911 0.7629 0.7057 0.8075 0.9188 0.8997 0.7455 0.8313 0.7398 0.7219 0.8484 0.7512 0.7530 0.7457 0.7524 0.8041 0.7189 0.7168 0.7391 0.6550 0.6640 0.6734 0.6600 0.7148 0.6205 0.7201 0.7010 0.6498 0.6420 0.7972 0.7123 0.7117 0.6926 0.7133 0.6497 0.6534 Beta_Glycerophosphate sn-Glycero-2-phosphate 0.5980 0.7087 0.7056 0.6847 0.6974 0.6844 0.6869 0.6902 0.6884 0.6639 0.6125 0.5741 0.7057 0.6594 0.6738 0.6839 0.7059 0.6819 0.7032 0.6960 0.8282 0.6135 0.6070 0.7347 0.6233 0.7186 0.6560 0.6884 0.6798 0.6814 0.6184 0.6656 0.5841 0.5742 0.5890 0.6805 0.6455 0.5919 0.6105 0.6578 0.6193 0.6253 0.7227 0.7602 0.7755 0.7708 0.7824 0.7847 0.7906 0.7790 0.7967 0.7155 0.7827 0.7362 0.7539 0.7624 0.7708 0.7672 0.7727 0.8050 0.5530 0.6009 0.6310 0.5664 0.5504 0.5791 0.6030 0.5787 0.6334 0.5892 0.6618 0.7177 0.7050 0.7168 0.7189 0.7291 0.7208 0.7262 0.6842 0.7138 0.7820 0.6736 0.7460 0.7006 0.7283 0.7266 0.7006 0.7249 0.6919 0.7456 0.6383 0.8366 0.6586 0.6076 0.8191 0.8226 0.7835 0.6485 0.6421 0.6586 0.6562 0.7510 0.6480 0.7318 0.6180 0.7601 0.6894 0.6676 0.6575 0.7177 0.5570 0.5758 0.6754 0.4983 0.6642 0.5599 0.8320 0.6584 0.6760 0.7685 0.6501 0.6660 0.7965 0.6786 0.7007 0.6779 0.6703 0.7110 0.6608 0.7334 0.7075 0.6453 0.6487 0.6291 0.6124 0.6424 0.6346 0.6748 0.6535 0.6482 0.6466 0.7547 0.6358 0.6473 0.6556 0.6836 0.7166 0.6489 Betaine Betaine 0.9591 0.9711 0.9920 0.9908 0.9786 0.9400 0.9821 0.9815 0.9903 0.9789 0.9108 0.7995 0.9379 0.9810 0.9689 0.9737 0.9654 0.9067 0.9748 0.9662 0.5951 0.4122 0.9072 0.9754 0.9388 1.0648 0.9299 0.9351 0.9363 0.9326 0.6470 0.3944 0.3902 0.4961 0.4064 0.4360 0.3454 0.4781 0.8950 0.9762 0.9785 0.9814 0.9733 0.9858 0.9798 0.9776 0.9914 0.9848 0.9771 0.9817 0.9830 0.9538 0.9867 0.9552 0.9275 0.9776 0.9767 0.9564 0.9761 0.9782 0.9678 0.9715 0.9650 0.9662 0.9582 0.9601 0.9270 0.9070 0.9088 0.9257 0.9081 0.9207 0.9270 0.9257 0.8827 0.8976 0.9183 0.9505 0.9448 0.9336 0.7230 0.9185 0.9263 0.9381 0.8953 0.5330 0.9335 0.5469 0.5230 1.0457 0.9318 0.8837 0.5537 0.5853 0.5509 0.9177 0.5508 0.4367 1.0245 0.4340 0.8453 0.4530 0.4493 0.9259 0.8455 0.6962 0.8518 0.7084 0.9368 1.0391 1.0599 0.9324 0.9355 0.9308 0.9416 0.4763 0.9341 0.9224 1.0076 0.5810 0.5218 0.9181 0.5244 0.9265 0.8855 0.9127 0.8350 0.5403 0.8905 0.9272 0.9119 0.8858 beta_Ketoadipic_acid 0.5620 0.5361 0.4949 0.5211 0.5436 0.5391 0.5384 0.5795 0.5097 0.5311 0.5590 0.5668 0.5412 0.5037 0.5274 0.5061 0.5115 0.4926 0.5570 0.5527 0.7009 0.4142 0.5407 0.8529 0.7876 0.7057 0.6257 0.6205 0.6525 0.8845 0.7931 0.7515 0.7525 0.7593 0.7958 0.6729 0.4782 0.8001 0.6072 0.4185 0.7530 0.7850 0.7671 0.7581 0.8194 0.7587 0.8238 0.8163 0.8184 0.8249 0.6763 0.7631 0.7553 0.8154 0.7572 0.8132 0.7659 0.5782 0.8191 0.4257 0.4669 0.4654 0.4611 0.4967 0.4581 0.4923 0.4753 0.7420 0.7874 0.7924 0.7593 0.7822 0.7622 0.7681 0.7838 0.7820 0.7764 0.7936 0.7565 0.7587 0.7770 0.4541 0.7865 0.7469 0.7513 0.5267 0.5079 0.6259 0.8408 0.6035 0.6881 0.7981 0.8037 0.8933 0.6555 0.6802 0.5805 0.6047 0.5464 0.8766 0.4918 0.5029 0.6086 0.5373 0.6006 0.7947 0.6472 0.5685 0.5754 0.6579 0.6214 0.7066 0.6585 0.7918 0.6887 0.5703 0.5383 0.6933 0.6266 0.6161 0.8004 0.6528 0.6030 0.7895 0.7927 0.7221 0.8016 0.5583 0.5692 0.5412 0.6194 0.8072 0.7775 0.7931 0.6013 0.7915 0.6141 0.7958 0.7998 0.7977 0.6756 0.5107 0.5622 beta_mannosylglycerate 0.8292 0.8370 0.8554 0.8520 0.8475 0.8476 0.8385 0.8544 0.8684 0.8445 0.8363 0.8387 0.8540 0.8495 0.8389 0.8212 0.8350 0.8613 0.8367 0.8254 0.8366 0.5418 0.5827 0.6377 0.6006 0.7108 0.6114 0.6238 0.6087 0.6868 0.5916 0.6320 0.5541 0.5269 0.5582 0.7542 0.5901 0.6345 0.6290 0.5450 0.6130 0.5820 0.5652 0.5670 0.5709 0.5527 0.5504 0.5466 0.5599 0.6200 0.5835 0.6380 0.5600 0.6747 0.6238 0.6410 0.6061 0.6103 0.5820 0.5920 0.8167 0.8187 0.8227 0.8225 0.8178 0.8256 0.8108 0.8146 0.8166 0.8148 0.5943 0.5738 0.5856 0.5934 0.5934 0.6010 0.5832 0.6054 0.5384 0.5875 0.5919 0.5587 0.5988 0.5924 0.5991 0.5157 0.5716 0.6028 0.6007 0.5437 0.6292 0.6321 0.6075 0.6263 0.6992 0.6197 0.6189 0.6386 0.6746 0.7685 0.6029 0.7486 0.6801 0.6786 0.5770 0.5748 0.6343 0.6106 0.6067 0.5131 0.5568 0.5586 0.4541 0.5719 0.5839 0.7621 0.5357 0.6055 0.6725 0.6180 0.6173 0.6916 0.6140 0.6099 0.6005 0.6118 0.6609 0.6015 0.6311 0.6712 0.5921 0.5767 0.5871 0.5453 0.6291 0.5607 0.6286 0.5743 0.5816 0.5574 0.7318 0.6016 0.5950 0.5761 0.6699 0.5967 0.5747 beta_sitosterol Sitosterol 0.3680 0.3232 0.3865 0.3731 0.3841 0.6607 0.5625 0.5923 0.5518 0.6356 0.5539 0.5527 0.5527 0.5500 0.5459 0.5624 0.4116 0.5343 0.5741 0.4611 0.4499 0.4376 0.4370 0.4256 0.4235 0.4516 0.4700 0.4385 0.4453 0.4578 0.4343 0.4785 0.4682 0.4587 0.4587 0.4497 0.4830 0.4409 0.4215 0.4532 0.4508 0.4706 0.4385 0.4714 0.4685 0.5290 0.5367 0.5448 0.5917 0.4987 0.5193 0.5364 0.5703 0.5959 0.5653 0.5713 0.5664 0.6096 0.5390 0.4632 0.5548 0.5559 0.5672 0.5606 0.6239 0.5714 0.5698 0.6384 0.5635 0.5658 0.5595 0.5562 0.5855 0.5517 0.5448 0.5947 0.5444 0.5447 0.5528 0.5332 0.5500 0.5256 0.5532 0.5397 0.5411 0.5394 0.5552 0.5788 0.5438 0.5619 0.5362 0.5401 Biopterin Biopterin 0.4210 0.5070 0.4369 0.4334 0.4340 0.4398 0.4058 0.4369 0.4590 0.4402 0.4156 0.4275 0.4298 0.4118 0.4217 0.4247 0.4121 0.4168 0.4171 0.3910 0.8124 0.5204 0.6562 0.7015 0.6598 0.7508 0.6666 0.6621 0.6681 0.6774 0.6411 0.6388 0.5301 0.4219 0.5159 0.7128 0.5784 0.6574 0.4925 0.4688 0.5580 0.6243 0.5683 0.5726 0.5468 0.5164 0.5185 0.5512 0.5405 0.5476 0.5421 0.5763 0.5459 0.5578 0.5554 0.5600 0.5691 0.5739 0.5270 0.5813 0.4750 0.4754 0.4714 0.4819 0.4594 0.4515 0.4410 0.4605 0.4753 0.4836 0.5383 0.5270 0.4965 0.5290 0.5317 0.5225 0.4921 0.5429 0.6454 0.5122 0.5369 0.5076 0.5237 0.5475 0.5173 0.5166 0.5065 0.5371 0.4996 0.5061 0.5055 0.5722 0.5746 0.5924 0.6251 0.5762 0.5519 0.5667 0.5956 0.5355 0.6279 0.7216 0.6123 0.7052 0.5740 0.6056 0.5998 0.6068 0.6256 0.6332 0.4647 0.5325 0.5482 0.4374 0.4181 0.4499 0.7024 0.5307 0.6650 0.7408 0.6298 0.6060 0.7550 0.6681 0.6694 0.6660 0.6839 0.6886 0.6414 0.6491 0.6966 0.6021 0.5853 0.5600 0.6108 0.6414 0.5396 0.6387 0.6270 0.6222 0.6122 0.6908 0.6302 0.6347 0.6233 0.6518 0.6161 0.6083 biuret Biuret 0.6892 0.6152 0.6121 0.5946 0.6310 0.6245 0.6097 0.6292 0.6181 0.6923 0.6367 0.5809 0.5903 0.6412 0.6308 0.6944 0.6869 0.6470 0.6187 0.6222 0.7414 0.5215 0.6166 0.6699 0.5934 0.6869 0.5972 0.6301 0.6341 0.5959 0.5894 0.6721 0.5353 0.4997 0.5253 0.6610 0.5951 0.5283 0.5600 0.4996 0.6670 0.4937 0.6332 0.6243 0.6369 0.6029 0.7028 0.5937 0.5833 0.7158 0.5870 0.5816 0.7029 0.6348 0.6046 0.6886 0.5819 0.6997 0.6451 0.6942 0.5975 0.6011 0.6056 0.7550 0.5984 0.6062 0.6807 0.6782 0.6003 0.5953 0.5243 0.6469 0.6536 0.6125 0.6389 0.6019 0.6609 0.6328 0.5758 0.6606 0.6193 0.6575 0.5524 0.6887 0.6313 0.5429 0.6573 0.5868 0.6748 0.6267 0.5989 0.6267 0.5668 0.6468 0.7153 0.6421 0.6159 0.6659 0.6752 0.6952 0.6176 0.6857 0.6686 0.7012 0.5367 0.6003 0.5858 0.6427 0.6401 0.6371 0.4838 0.5975 0.4157 0.4776 0.5081 0.5183 0.6796 0.4941 0.5415 0.7041 0.5687 0.5797 0.7263 0.6342 0.6253 0.6334 0.5974 0.6510 0.6628 0.6176 0.6528 0.5772 0.6729 0.6050 0.5304 0.5853 0.5915 0.6314 0.6021 0.6228 0.6043 0.6593 0.5879 0.6139 0.5901 0.6842 0.5873 0.5363 Cadaverine Cadaverine 0.7216 0.7234 0.7254 0.7196 0.7303 0.7307 0.7230 0.7357 0.7396 0.7160 0.7182 0.7247 0.7293 0.7206 0.7207 0.7181 0.7211 0.7326 0.7223 0.7141 0.8843 0.5671 0.6180 0.6851 0.6274 0.7243 0.6333 0.6140 0.6227 0.6926 0.6126 0.6498 0.5469 0.5268 0.5556 0.7164 0.5923 0.6373 0.6126 0.5650 0.6285 0.5464 0.6023 0.6476 0.6367 0.6452 0.6337 0.6287 0.6487 0.6474 0.6340 0.5947 0.6496 0.6231 0.6279 0.6218 0.6575 0.6355 0.5928 0.6330 0.6934 0.6892 0.6936 0.6885 0.6887 0.6920 0.6847 0.6828 0.6840 0.6823 0.6388 0.6269 0.6283 0.6359 0.6352 0.6359 0.6370 0.6467 0.5546 0.6345 0.6161 0.6209 0.6506 0.6354 0.6505 0.6056 0.6402 0.6499 0.6255 0.5942 0.6355 0.6132 0.6306 0.6552 0.6906 0.6042 0.6074 0.6646 0.6550 0.7321 0.6484 0.8405 0.6868 0.7197 0.6220 0.6713 0.6901 0.7135 0.6371 0.6462 0.5079 0.6478 0.5297 0.5550 0.5482 0.5620 0.8032 0.5361 0.6685 0.7424 0.6975 0.7009 0.7557 0.6415 0.6445 0.6414 0.6758 0.7698 0.6184 0.6166 0.6370 0.6216 0.6691 0.6320 0.5975 0.6149 0.5768 0.6226 0.5999 0.6015 0.5820 0.7274 0.5881 0.6227 0.6093 0.7338 0.6069 0.5948 Caffeine Caffeine 0.4677 0.6515 0.6748 0.5563 0.6565 0.4764 0.6791 0.6686 0.5005 0.5291 0.5238 0.6068 0.5507 0.4907 0.5722 0.4403 0.6627 0.5932 0.5054 1.0747 0.4236 0.7390 0.7761 0.7356 0.8290 0.7351 0.7301 0.7352 0.8298 0.7198 0.7766 0.4134 0.6511 0.6948 0.9045 0.5244 0.7972 0.7770 0.4532 0.6354 0.5522 0.7045 0.6928 0.6930 0.4444 0.6893 0.5872 0.6743 0.6551 0.7109 0.6467 0.6747 0.6212 0.6926 0.6729 0.6631 0.6944 0.6831 0.6899 0.5984 0.5420 0.4696 0.4526 0.4260 0.4219 0.4418 0.6569 0.6807 0.6209 0.6773 0.6601 0.6916 0.6778 0.5861 0.6471 0.6542 0.6099 0.6491 0.5827 0.5099 0.7423 0.7834 0.8098 0.8272 0.7368 0.7359 0.8126 0.8368 0.9164 0.7181 0.6995 0.7804 0.7982 0.7143 0.7265 0.4981 0.8114 0.7208 0.7120 0.6044 0.4238 0.6583 0.7410 0.8152 0.7740 0.7807 0.8340 0.7220 0.7342 0.7324 0.7347 0.5876 0.7199 0.7183 0.7835 0.7251 0.7790 0.7563 0.7269 0.7190 0.7430 0.7099 0.7249 0.7238 0.7267 0.9247 0.7173 0.7242 0.7224 0.8664 0.7148 0.7524 capric_acid Capric acid 0.8226 0.8308 0.8391 0.8304 0.8400 0.8812 0.8331 0.8012 0.8554 0.8210 0.8320 0.8343 0.8913 0.8484 0.8294 0.8312 0.8504 0.8221 0.8120 1.1471 0.9437 0.9409 1.0174 0.9471 1.0905 0.9489 0.9495 0.9452 0.8833 0.9459 0.8639 0.9657 0.9629 0.8333 0.9234 0.9648 0.8284 0.8581 0.9560 0.9173 0.9516 0.8148 0.8860 0.9225 0.8885 0.9228 0.8950 0.8831 0.9368 0.8961 0.8850 0.9317 0.9235 0.8858 0.9270 0.8887 0.8861 0.9327 0.8837 0.7994 0.8135 0.7980 0.8069 0.8018 0.8024 0.8022 0.8045 0.7989 0.8034 0.8615 0.7965 0.7908 0.8716 0.7525 0.8733 0.8632 0.7964 0.9233 0.8045 0.8132 0.8150 0.8796 0.8076 0.8004 0.9343 0.8127 0.8573 0.8271 0.9232 0.9301 0.9502 0.8674 0.8853 1.0681 0.9535 0.9559 0.8226 0.8715 0.8217 0.9496 1.0324 0.8206 1.0464 0.8331 0.9488 0.8665 0.8861 0.9502 0.9502 0.7463 0.6953 0.7729 0.5784 0.6817 0.6159 1.0057 0.7930 0.9520 1.0592 0.8583 0.8607 1.0828 0.9539 0.9548 0.9541 0.9542 0.9313 0.9404 0.9468 1.0213 0.7531 0.8132 0.8437 0.9446 0.9419 0.9280 0.9268 0.9430 0.9452 0.9468 0.9986 0.9478 0.9541 0.9503 0.8857 0.9440 0.8553 Cellobiose Cellobiose 0.6566 0.6695 0.6895 0.6921 0.6089 0.6756 0.5907 0.6843 0.6971 0.6804 0.6647 0.6638 0.6821 0.6881 0.6663 0.6471 0.6664 0.6938 0.6697 0.6577 0.8853 0.5473 0.6754 0.7124 0.6484 0.7402 0.6695 0.6482 0.6673 0.7113 0.6497 0.6861 0.5696 0.5173 0.5251 0.6700 0.5735 0.6903 0.5762 0.5503 0.5580 0.5642 0.5571 0.5411 0.6251 0.5671 0.6218 0.5830 0.5738 0.5809 0.5872 0.5860 0.5665 0.5643 0.5570 0.5712 0.6227 0.6386 0.5477 0.5597 0.5660 0.6533 0.5717 0.6525 0.6490 0.6593 0.6496 0.6528 0.6615 0.6543 0.5728 0.5262 0.6248 0.6178 0.5572 0.5165 0.6258 0.5662 0.5436 0.6226 0.5294 0.6130 0.5479 0.5474 0.5705 0.5037 0.6123 0.5651 0.5568 0.5251 0.6159 0.6336 0.6550 0.5998 0.5937 0.6203 0.6241 0.6583 0.6765 0.7012 0.6602 0.8173 0.6907 0.6275 0.5982 0.6594 0.6603 0.6190 0.6614 0.5875 0.4382 0.5505 0.5947 0.6093 0.6156 0.6160 0.6644 0.6063 0.6631 0.7428 0.6916 0.6908 0.7581 0.6698 0.6656 0.5901 0.6666 0.7470 0.6614 0.6654 0.7042 0.5853 0.6922 0.6770 0.6477 0.6685 0.5366 0.6678 0.6547 0.6553 0.6842 0.6987 0.5707 0.5707 0.6564 0.7285 0.6473 0.6714 cerotinic_acid Cerotic acid 0.4487 0.4587 0.4465 0.4533 0.4682 0.4572 0.4654 0.4886 0.4953 0.4790 0.4297 0.4522 0.3907 0.4677 0.4495 0.4300 0.4752 0.4885 0.4885 0.4483 1.0895 0.6258 0.7447 0.7894 0.7389 0.8423 0.7469 0.7506 0.7359 0.8178 0.7236 0.7849 0.6028 0.5603 0.6624 0.9160 0.6527 0.8009 0.7724 0.5930 0.6848 0.6167 0.5975 0.4754 0.6383 0.6733 0.6126 0.6358 0.6710 0.4713 0.6688 0.6614 0.6418 0.6570 0.6449 0.6725 0.6470 0.6694 0.5116 0.5067 0.5077 0.5213 0.5069 0.4842 0.4824 0.5061 0.4863 0.4890 0.6428 0.5863 0.6165 0.5790 0.6069 0.5889 0.5924 0.5904 0.6023 0.5786 0.5350 0.5777 0.5437 0.5814 0.6244 0.5511 0.5945 0.6132 0.5807 0.4733 0.6597 0.5328 0.5593 0.7326 0.7038 0.6484 0.5179 0.7290 0.6614 0.7296 0.7260 0.7355 0.7953 0.7923 0.6697 0.7251 0.7550 0.7713 0.7200 0.7243 0.4737 0.7753 0.4679 0.7084 0.4691 0.6979 0.9624 0.4033 0.7382 0.8218 0.5861 0.7514 0.8365 0.7523 0.7422 0.7276 0.7405 0.7463 0.7152 0.7171 0.7702 0.7144 0.7423 0.7231 0.7237 0.7219 0.5223 0.7038 0.7156 0.7024 0.7317 0.9215 0.7150 0.7318 0.6928 0.8466 0.7224 0.7538 chenodeoxycholic_acid Chenodeoxycholic acid 0.3300 0.3244 0.3335 0.3251 0.3332 0.3235 0.3283 0.3186 0.3252 0.6883 0.4658 0.5771 0.6215 0.5846 0.6703 0.5841 0.5840 0.5851 0.5868 0.5630 0.5558 0.4466 0.4253 0.4339 0.5950 0.5393 0.4599 0.4282 0.4373 0.4315 0.4671 0.4235 0.4348 0.4443 0.4406 0.4298 0.4270 0.4496 0.4211 0.4425 0.3475 0.3327 0.3196 0.3236 0.3272 0.4367 0.4738 0.4956 0.4677 0.4742 0.4730 0.4882 0.4888 0.4627 0.4106 0.4297 0.4209 0.4573 0.4353 0.4132 0.4871 0.4724 0.4182 0.5282 0.5088 0.4964 0.5316 0.5664 0.5027 0.4965 0.5305 0.5358 0.5822 0.5569 0.6470 0.5375 0.6287 0.4934 0.5549 0.5178 0.5409 0.5662 0.5656 0.3680 0.4047 0.2988 0.3697 0.3707 0.3771 0.3649 0.5698 0.6452 0.5554 0.5316 0.6573 0.5818 0.5825 0.5811 0.5823 0.5951 0.5698 0.5737 0.6087 0.5477 0.5343 0.5292 0.5485 0.5693 0.4757 0.5732 0.5591 0.5549 0.5530 0.6078 0.5615 0.5645 0.5573 0.5709 0.5536 0.5279 cholesterol Cholesterol 0.4842 0.4796 0.4892 0.4882 0.4837 0.4756 0.4724 0.3408 0.4921 0.4735 0.4895 0.4838 0.4956 0.4864 0.4808 0.4659 0.4779 0.3673 0.4777 0.4703 0.7191 0.5014 0.5284 0.5336 0.5322 0.5923 0.5126 0.5190 0.5097 0.5559 0.5077 0.5241 0.4572 0.4145 0.4669 0.5961 0.4982 0.5404 0.5517 0.4629 0.4911 0.5057 0.4744 0.4931 0.4504 0.5093 0.4910 0.4603 0.5124 0.4970 0.4893 0.4703 0.5064 0.4968 0.5085 0.4826 0.5213 0.4822 0.5166 0.3289 0.4710 0.3692 0.3673 0.4760 0.4765 0.3241 0.4719 0.3512 0.5066 0.4905 0.4677 0.4969 0.5101 0.5369 0.5453 0.4682 0.5036 0.4503 0.4766 0.5168 0.4871 0.5645 0.4962 0.4683 0.4854 0.4438 0.5310 0.5175 0.5000 0.5289 0.4930 0.4620 0.4718 0.5046 0.5749 0.6002 0.5060 0.6728 0.5242 0.5439 0.5216 0.4948 0.5371 0.5209 0.5092 0.5118 0.3095 0.4988 0.3102 0.4153 0.3407 0.4339 0.6311 0.3218 0.5006 0.5740 0.5357 0.5647 0.5777 0.5038 0.5198 0.5273 0.5038 0.5912 0.4961 0.5276 0.5481 0.5386 0.5381 0.5395 0.5440 0.4951 0.4840 0.5096 0.4961 0.5083 0.5096 0.6234 0.5064 0.5068 0.5107 0.5778 0.5149 0.5165 cholesterone Cholestenone 0.3310 0.3306 0.3201 0.3229 0.7206 0.6189 0.6614 0.6133 0.7008 0.6138 0.6167 0.6123 0.6044 0.6172 0.6224 0.4251 0.6273 0.6330 0.5114 0.4866 0.5129 0.5012 0.5190 0.5325 0.5083 0.5028 0.5310 0.4190 0.5131 0.5031 0.5130 0.5396 0.5257 0.5165 0.5450 0.4363 0.5528 0.2414 0.4744 0.4975 0.5113 0.5121 0.5022 0.5029 0.5061 0.5153 0.4930 0.4492 0.4564 0.4678 0.5251 0.4439 0.4888 0.4239 0.5020 0.4404 0.5837 0.5804 0.5832 0.6417 0.5670 0.5705 0.5524 0.5651 0.5259 0.6263 0.5900 0.6027 0.6807 0.5930 0.4318 0.5584 0.6026 0.6244 0.3025 0.5987 0.6934 0.6047 0.6017 0.7106 0.6245 0.6281 0.6193 0.6210 0.5971 0.6096 0.6139 0.6504 0.5910 0.5598 0.5418 0.5963 0.6113 0.5698 0.6179 0.5894 0.5728 0.6052 0.6171 0.6339 0.5981 0.5428 0.5915 0.5827 cholic_acid Cholic acid 0.3268 0.3333 0.3250 0.3270 0.3294 0.6555 0.5746 0.6127 0.5765 0.6634 0.5807 0.5779 0.5798 0.5636 0.5580 0.5434 0.4207 0.4232 0.5548 0.5413 0.4927 0.4343 0.4368 0.4346 0.4384 0.4398 0.4169 0.4270 0.4272 0.3335 0.3259 0.4242 0.4499 0.4739 0.4346 0.4676 0.4543 0.4674 0.4874 0.4183 0.4180 0.4343 0.4753 0.4742 0.4764 0.4531 0.4136 0.5004 0.5031 0.5014 0.5051 0.5445 0.4790 0.4820 0.4698 0.5283 0.5668 0.5550 0.5899 0.5019 0.6192 0.4566 0.5512 0.4897 0.5066 0.5605 0.5628 0.5594 0.6396 0.5525 0.5227 0.6485 0.5725 0.5752 0.5723 0.5759 0.5502 0.5664 0.5719 0.6085 0.5514 0.5408 0.5405 0.5448 0.5679 0.4586 0.5722 0.5557 0.5478 0.5538 0.5580 0.5593 0.5626 0.5548 0.4689 0.5477 0.5394 Cinnamyl_alcohol Cinnamyl alcohol 0.4895 0.5002 0.5077 0.5068 0.5725 0.4806 0.4865 1.2230 0.7617 0.5907 0.6407 0.6045 0.6769 0.6125 0.5761 0.6009 0.9196 0.6279 0.8640 0.7631 0.7571 0.7932 1.0448 0.7713 0.9021 0.8718 0.7484 0.7596 0.5827 0.6075 0.5558 0.5788 0.6100 0.5485 0.5503 0.5887 0.5649 0.5538 0.5336 0.5662 0.5632 0.5614 0.5461 0.5415 0.5414 0.5201 0.5000 0.5044 0.5598 0.5447 0.4885 0.4925 0.5368 0.5104 0.5000 0.5265 0.4937 0.6663 0.4858 0.5123 0.4958 0.4965 0.5083 0.5327 0.5192 0.5061 0.4904 0.4962 0.8876 0.5847 0.7871 0.8359 0.5918 0.5735 0.5883 0.8583 0.8515 0.9665 0.5874 1.0226 0.8392 0.6041 0.7873 0.6752 0.8458 0.8536 0.5547 0.5175 0.4907 0.9295 0.5052 0.6823 0.5188 0.7575 1.1329 0.5149 0.6402 0.6708 0.8273 0.8198 0.6844 0.6035 0.5981 0.6014 0.6027 0.9832 0.5964 0.5661 0.6417 0.6970 0.8380 0.7996 0.6783 0.5739 0.6534 0.5666 0.6093 0.6073 0.6777 1.0119 0.6098 0.5826 0.5842 0.9150 0.6595 0.7934 Citramalate Citramalic acid 0.8772 0.8040 0.7990 0.7958 0.8993 0.8393 0.8002 0.8874 0.9086 0.7975 0.8645 0.8921 0.8157 0.9024 0.8082 0.9000 0.8794 0.8035 0.7848 1.0416 0.7820 0.7690 0.8076 0.8190 0.9016 0.7863 0.7833 0.7219 0.8157 0.7467 0.7396 0.8169 0.7481 0.7402 0.9055 1.0397 0.7828 0.8370 0.7585 0.8410 0.8277 0.7921 0.6008 0.7871 0.5992 0.7931 0.9233 0.7589 0.7615 0.7398 0.7662 0.7175 0.8161 0.7500 0.8262 0.8233 0.8270 0.8289 0.8236 0.8152 0.8244 0.8230 0.8282 0.8257 0.8887 0.7912 0.7789 0.8855 0.8730 0.8931 0.8853 0.8013 0.8274 0.7897 0.7666 0.7839 0.7676 0.8859 0.8860 0.7341 0.7844 0.9071 0.7932 0.7602 0.9584 0.7439 0.9019 0.9110 0.8795 0.7815 0.7806 0.8080 0.8112 0.9475 0.7468 0.9548 0.7443 0.8382 0.7581 0.7442 0.8757 0.7621 0.7671 0.7405 0.7306 0.7405 0.7670 0.7154 0.7120 0.7140 0.8901 0.7711 0.8578 0.8777 0.7704 0.7692 0.8864 0.7892 0.7616 0.7831 0.8383 0.8422 0.7496 0.7536 0.7853 0.7516 0.7463 0.7485 0.7510 0.7693 0.8509 0.7626 0.7630 0.7627 0.7271 0.9644 0.7696 0.7450 0.7413 0.8132 0.7158 0.7290 Citric_acid Citric acid 0.5470 0.5112 0.5642 0.5630 0.5274 0.5483 0.5314 0.5297 0.5075 0.5439 0.6486 0.4983 0.5422 0.5453 0.5073 0.5035 0.4741 0.6260 0.4894 0.4741 0.6968 0.7596 0.5172 0.8570 0.7630 0.7333 0.5306 0.6624 0.5297 0.7072 0.4885 0.5189 0.5094 0.5298 0.4612 0.5085 0.5432 0.5174 0.5011 0.5240 0.5112 0.5110 0.5252 0.5114 0.5230 0.4643 0.5359 0.4426 0.4534 0.4759 0.4798 0.4519 0.4996 0.4854 0.4557 0.4968 0.4953 0.4193 0.7177 0.7178 0.8126 0.7998 0.8157 0.8111 0.8025 0.7422 0.6875 0.7026 0.4582 0.8088 0.8082 0.5820 0.7255 0.4989 0.7847 0.6853 0.7021 0.7791 0.6892 0.6684 0.4009 0.6584 0.7476 0.6944 0.6895 0.6979 0.5741 0.3635 0.5010 0.5032 0.8500 0.8477 0.7327 0.7007 0.7496 0.5172 0.7042 0.7020 0.5505 0.6095 0.6028 0.7407 0.5688 0.7153 0.6582 0.6744 0.6652 0.6535 0.6990 0.6678 0.6932 Citrulline Citrulline 0.8445 0.8733 0.8914 0.8592 0.8829 0.8931 0.8603 0.8900 0.9210 0.8518 0.8280 0.8859 0.8614 0.8708 0.8455 0.8687 0.8497 0.8724 0.8765 0.8630 0.9795 0.8330 0.9358 1.0048 0.9318 1.0428 0.9275 0.9162 0.9282 0.9322 0.8823 0.8165 0.8237 0.8659 0.7822 0.7617 1.0101 0.9462 0.8223 0.9504 0.7225 0.9517 0.9531 0.9588 0.9382 0.9539 0.9445 0.9393 0.9565 0.9565 0.9497 0.9595 0.9592 0.9444 0.9597 0.9398 0.9593 0.8686 0.9505 0.8350 0.8210 0.8521 0.8080 0.8316 0.8426 0.7903 0.7875 0.8162 0.7987 0.9472 0.8700 0.8619 0.9336 0.9252 0.9374 0.9290 0.9153 0.6748 0.8955 0.8792 0.8628 0.9434 0.9331 0.9284 0.8929 0.8748 0.9445 0.9261 0.9057 0.8235 0.8592 0.9958 1.0211 1.0037 0.9257 0.9022 1.0148 1.0154 0.8799 0.9119 1.0067 1.0127 0.8581 0.9345 0.9339 1.0010 0.8890 0.9232 0.8918 1.0163 0.8894 0.9981 0.9269 1.0029 1.3028 0.8994 0.9371 1.0257 0.9953 0.9999 1.0333 0.8999 0.9027 0.8981 0.9276 0.9843 0.9121 0.9104 0.9960 0.9483 1.0060 0.9943 0.9394 0.9000 0.9409 0.9043 0.9321 0.8918 0.9426 0.8988 0.9425 0.9269 0.9021 0.9660 0.9417 0.9685 conduritol_beta_expoxide Conduritol epoxide 0.5881 0.5936 0.5961 0.5908 0.6058 0.6087 0.5961 0.6053 0.6177 0.5975 0.6014 0.6046 0.6036 0.6062 0.5642 0.5892 0.6086 0.6104 0.5503 0.5882 0.6481 0.4419 0.4646 0.5322 0.4630 0.5615 0.4570 0.4979 0.4306 0.3947 0.3970 0.5207 0.4713 0.4567 0.4022 0.4602 0.4964 0.4823 0.4492 0.4544 0.4737 0.4687 0.4751 0.4623 0.4768 0.4817 0.4693 0.4992 0.5174 0.5550 0.5614 0.5585 0.5538 0.5538 0.5383 0.5474 0.5501 0.5502 0.5280 0.4774 0.4956 0.4970 0.5194 0.5286 0.5522 0.6065 0.5974 0.5145 0.5346 0.5888 0.6192 0.6307 0.6569 0.5249 0.4988 0.5437 0.5313 0.3367 0.5092 0.3916 0.4645 0.3447 0.5550 0.5540 0.4507 0.4627 0.4957 0.5047 0.5175 0.5166 0.4756 0.4652 0.5487 0.4648 0.4404 0.4731 0.4311 0.6020 0.4702 0.4441 0.5894 0.5145 Creatinine Creatinine 0.6120 0.6283 0.6361 0.6252 0.6626 0.6067 0.6187 0.6388 0.6394 0.6271 0.5967 0.6087 0.5867 0.6104 0.6209 0.6003 0.5982 0.5985 0.6264 0.6158 0.8521 0.5543 0.6881 0.7470 0.7327 0.8192 0.7118 0.7135 0.7240 0.6619 0.7315 0.6265 0.5259 0.4890 0.5221 0.6502 0.5774 0.6314 0.6103 0.5127 0.6949 0.4841 0.6299 0.7164 0.7083 0.7063 0.7038 0.7208 0.6794 0.6170 0.7132 0.6796 0.6911 0.7081 0.7274 0.7128 0.7062 0.6832 0.7355 0.6781 0.6389 0.5666 0.6431 0.6407 0.6341 0.6340 0.6349 0.6405 0.6354 0.6341 0.6941 0.7067 0.7035 0.6955 0.7133 0.6989 0.7036 0.7099 0.4837 0.7013 0.7052 0.7213 0.6946 0.6805 0.7088 0.5926 0.7156 0.6987 0.6939 0.6959 0.5708 0.6477 0.5953 0.6076 0.7565 0.6535 0.5962 0.6597 0.6661 0.7037 0.6891 0.7608 0.6257 0.7482 0.5222 0.6329 0.6024 0.6359 0.6873 0.6806 0.5563 0.5476 0.5691 0.4624 0.5341 0.4991 0.8087 0.4734 0.7161 0.7946 0.6128 0.6386 0.8285 0.7222 0.6928 0.7202 0.7276 0.7117 0.6799 0.6559 0.7601 0.5414 0.6282 0.6209 0.5133 0.6820 0.5614 0.6790 0.6609 0.6552 0.6370 0.6445 0.6431 0.6986 0.6738 0.6202 0.6472 0.5822 Cyclopentanone Cyclopentanone 0.7269 0.7285 0.7468 0.7508 0.7462 0.7465 0.7316 0.7452 0.7575 0.7392 0.6603 0.7369 0.6677 0.7513 0.7340 0.7138 0.7324 0.7571 0.7348 0.7227 1.0919 0.6739 0.8289 0.8793 0.8240 0.7688 0.8212 0.8198 0.8163 0.8750 0.8132 0.8273 0.6892 0.5965 0.7192 0.9438 0.6598 0.8384 0.8207 0.6654 0.7958 0.6226 0.7937 0.7899 0.7761 0.7714 0.7875 0.7682 0.7730 0.7950 0.7828 0.7802 0.7841 0.7834 0.7675 0.8256 0.7745 0.7963 0.7524 0.7822 0.7168 0.7258 0.7228 0.7237 0.7200 0.7251 0.7160 0.7208 0.7195 0.7159 0.7604 0.7512 0.7650 0.7593 0.7611 0.7673 0.7589 0.7754 0.6171 0.7628 0.7304 0.7522 0.7507 0.7528 0.7732 0.6991 0.7618 0.7764 0.7630 0.7288 0.7426 0.7972 0.8106 0.8454 0.8882 0.7936 0.7889 0.8189 0.8364 0.8714 0.7884 0.9807 0.8268 0.8906 0.7479 0.7812 0.8025 0.8288 0.7919 0.7998 0.5085 0.6249 0.4834 0.5269 0.5258 0.6137 0.7568 0.6995 0.8128 0.9065 0.8380 0.8320 0.9358 0.8219 0.8202 0.8085 0.8172 0.9229 0.8012 0.6448 0.7017 0.7735 0.8146 0.8026 0.7589 0.8041 0.7697 0.6333 0.7955 0.7949 0.7816 0.9555 0.8040 0.8065 0.7957 0.8787 0.7893 0.7989 Cysteamine Cysteamine 0.6790 0.6434 0.6658 0.6567 0.6691 0.7042 0.6565 0.6675 0.6892 0.6988 0.7235 0.6887 0.7281 0.7054 0.6677 0.6642 0.6582 0.6891 0.6643 0.6759 1.0261 0.6542 0.7642 0.8067 0.5746 0.8716 0.5734 0.7696 0.7549 0.8503 0.7459 0.8098 0.6388 0.6239 0.6754 0.8829 0.5530 0.7988 0.7701 0.6451 0.7535 0.6634 0.7512 0.7832 0.6081 0.7674 0.6026 0.7486 0.7446 0.7562 0.7487 0.7475 0.6044 0.7455 0.7434 0.7539 0.7488 0.7748 0.7252 0.5936 0.6442 0.6166 0.6291 0.6284 0.6821 0.6351 0.6289 0.6218 0.6368 0.6201 0.7272 0.7020 0.7136 0.7213 0.7144 0.7452 0.7155 0.7344 0.6098 0.7228 0.7080 0.7078 0.5852 0.7144 0.7260 0.6925 0.7201 0.7310 0.7086 0.7087 0.5886 0.7434 0.7898 0.7932 0.8236 0.7360 0.4861 0.7914 0.8174 0.6714 0.7260 0.9307 0.7708 0.8101 0.6766 0.7330 0.7666 0.7979 0.7210 0.7029 0.5633 0.5109 0.5997 0.6214 0.5908 0.6070 0.5611 0.5381 0.5722 0.7857 0.7851 0.8703 0.5511 0.7521 0.7453 0.7520 0.8050 0.7533 0.5921 0.8005 0.7763 0.7860 0.7768 0.7448 0.5465 0.5165 0.7453 0.5567 0.7492 0.7382 0.9046 0.7425 0.5666 0.7436 0.8640 0.7452 0.7886 Cysteine Cysteine 0.6357 0.6175 0.6256 0.6104 0.6452 0.6901 0.5757 0.6568 0.6024 0.6083 0.6502 0.6492 0.6710 0.6266 0.6416 0.6152 0.6548 0.6283 0.6094 0.6174 0.7761 0.5647 0.6285 0.6495 0.6428 0.7080 0.6145 0.6231 0.6387 0.8018 0.5959 0.8479 0.5339 0.5554 0.5185 0.8633 0.6177 0.8096 0.6228 0.5308 0.6374 0.6103 0.8522 0.6496 0.6408 0.6416 0.6412 0.6316 0.6051 0.6626 0.6508 0.6390 0.6286 0.6255 0.6057 0.6630 0.6441 0.6482 0.5682 0.6307 0.5925 0.5690 0.6201 0.6246 0.5745 0.5978 0.6123 0.6025 0.5874 0.5675 0.6579 0.6271 0.6168 0.6689 0.6641 0.6744 0.6739 0.6640 0.5028 0.6111 0.6053 0.6208 0.6677 0.6150 0.6441 0.6012 0.6369 0.6769 0.6512 0.6045 0.5840 0.6182 0.8163 0.8321 0.7062 0.5978 0.6064 0.8027 0.7970 0.7945 0.6182 0.9026 0.7728 0.6884 0.6421 0.5877 0.7303 0.8302 0.6185 0.5974 0.5061 0.6948 0.5119 0.7177 0.5068 0.6753 0.8802 0.5297 0.6138 0.7112 0.8204 0.8750 0.7235 0.6455 0.6282 0.6364 0.6415 0.8497 0.6323 0.6242 0.6776 0.5859 0.7629 0.7646 0.5745 0.6208 0.6194 0.5739 0.5766 0.5867 0.6251 0.8696 0.5792 0.5916 0.6150 0.8212 0.5683 0.7035 Cystine Cystine 0.6861 0.7178 0.7200 0.7323 0.7336 0.6986 0.7174 0.7159 0.7336 0.7072 0.6377 0.6941 0.6732 0.7062 0.7287 0.6931 0.6839 0.7016 0.7106 0.7028 0.5787 0.4394 0.7160 0.7549 0.7735 0.8772 0.7657 0.7647 0.7705 0.5039 0.7428 0.4761 0.4315 0.3895 0.4291 0.6177 0.4418 0.5084 0.4828 0.3741 0.7147 0.6671 0.7800 0.7613 0.7707 0.7788 0.7845 0.7508 0.7574 0.7870 0.7180 0.7748 0.7310 0.7674 0.7710 0.7578 0.7468 0.6986 0.7715 0.5758 0.6900 0.6305 0.6324 0.6467 0.6605 0.6730 0.6842 0.6924 0.6967 0.7327 0.7358 0.7333 0.7475 0.7545 0.7627 0.7519 0.7640 0.4687 0.7441 0.7162 0.7289 0.7492 0.7476 0.7708 0.7289 0.7809 0.7495 0.6867 0.5028 0.6021 0.5365 0.5701 0.6948 0.6298 0.4961 0.5752 0.5963 0.6353 0.6940 0.7254 0.4159 0.4422 0.4848 0.6825 0.6760 0.4455 0.4580 0.4911 0.3595 0.4862 0.4198 0.6451 0.4387 0.7575 0.8829 0.5065 0.8861 0.7894 0.7451 0.7776 0.7866 0.5114 0.7174 0.7055 0.7825 0.4556 0.4914 0.4773 0.4659 0.5122 0.5112 0.7621 0.4034 0.5242 0.4198 0.6039 0.5389 0.5556 0.4124 0.5675 0.4425 0.4440 Cytidine_monophosphate CMP 0.6231 0.6390 0.6550 0.6606 0.6544 0.6480 0.6368 0.6579 0.6598 0.6465 0.6393 0.6306 0.6560 0.6456 0.6385 0.6133 0.6422 0.6649 0.6282 0.6207 1.0607 0.6342 0.7855 0.8344 0.7812 0.8924 0.7817 0.7808 0.7791 0.8486 0.7586 0.8014 0.6098 0.5543 0.6624 0.8870 0.6444 0.8087 0.7589 0.5974 0.6805 0.5919 0.7006 0.6855 0.6837 0.6796 0.6897 0.6802 0.6803 0.6964 0.6924 0.6769 0.6852 0.6803 0.6875 0.6931 0.6806 0.6906 0.6607 0.6903 0.6143 0.6183 0.6216 0.6231 0.6238 0.6178 0.6160 0.6164 0.6335 0.6231 0.6795 0.6721 0.6885 0.6836 0.6923 0.6890 0.6944 0.6943 0.5413 0.6865 0.6567 0.6787 0.6775 0.6798 0.6966 0.6276 0.6821 0.7023 0.6873 0.6530 0.6183 0.6912 0.7185 0.7515 0.7627 0.6813 0.6856 0.7322 0.7463 0.7861 0.7638 0.9698 0.8121 0.8503 0.7030 0.7727 0.7871 0.8327 0.7697 0.7737 0.5959 0.6483 0.5962 0.5938 0.6183 0.6000 0.6934 0.6054 0.7797 0.8683 0.8180 0.8201 0.8849 0.7821 0.7883 0.7807 0.7818 0.8943 0.7311 0.7725 0.7831 0.7286 0.7756 0.7549 0.7223 0.7263 0.6853 0.7294 0.7211 0.7164 0.7337 0.8629 0.7264 0.7271 0.7192 0.8125 0.7182 0.7424 D_3_Phenyllactic_acid 0.6553 0.6448 0.7271 0.6481 0.5017 0.6484 0.6453 0.7209 0.7440 0.6599 1.1520 0.8068 0.7420 0.7931 0.7441 0.8578 0.7731 0.7618 0.7679 0.8546 0.7242 0.7987 0.7829 0.8305 0.8390 0.9409 0.9055 0.8194 0.8545 0.7988 0.6402 0.7671 0.7853 0.7928 0.7237 0.7347 0.7401 0.7955 0.7441 0.7417 0.7701 0.7345 0.6663 0.7302 0.7954 0.7633 0.7925 0.6843 0.6879 0.6871 0.6903 0.6787 0.6952 0.6814 0.6698 0.6988 0.6739 0.7981 0.7529 0.7561 0.7911 0.7777 0.7916 0.7855 0.7736 0.8595 0.7669 0.7501 0.7542 0.7941 0.7864 0.7787 0.7359 0.7601 0.7983 0.7819 0.7442 0.8519 0.7971 0.8591 0.8690 0.8521 0.7735 0.7621 0.8284 0.8256 0.9195 0.7459 1.0177 0.7698 0.7923 0.7954 0.7320 0.8577 0.8264 0.7603 0.7276 0.7840 0.7272 0.6714 0.6541 0.8208 0.8349 0.7263 0.7752 0.8544 0.7870 0.7809 0.8647 0.7726 0.7703 0.7558 0.7520 0.8790 0.7659 0.7462 0.8093 0.7590 0.7964 0.7889 0.7491 0.7555 0.8218 0.7658 0.7351 0.7434 0.7200 1.0259 0.7096 0.7495 0.7195 0.8629 0.7254 0.7538 d3_tryptophan 0.4792 0.4895 0.4835 0.5015 0.4757 0.4956 0.4765 0.4792 0.4788 0.4672 0.5181 0.4787 0.5217 0.4815 0.4772 0.4645 0.4589 0.5286 0.4572 0.4733 0.7753 0.5561 0.5103 0.5779 0.7053 0.6283 0.7009 0.5613 0.6740 0.5951 0.6872 0.5806 0.5670 0.5418 0.5428 0.6630 0.6493 0.5759 0.5774 0.5525 0.5223 0.4914 0.5111 0.5132 0.4970 0.5102 0.5244 0.5069 0.4944 0.5129 0.5091 0.4959 0.5037 0.5033 0.4902 0.5168 0.5120 0.5232 0.4760 0.5149 0.5062 0.4983 0.5058 0.5070 0.4907 0.5062 0.4957 0.4818 0.5001 0.5000 0.5224 0.5746 0.5984 0.5735 0.5874 0.5940 0.5769 0.6063 0.5089 0.6000 0.5634 0.5600 0.5719 0.5588 0.5806 0.4982 0.5874 0.5844 0.5876 0.5337 0.6207 0.5539 0.5738 0.5959 0.5939 0.6073 0.6178 0.5688 0.5819 0.6654 0.6498 0.6955 0.5708 0.7088 0.5525 0.5142 0.5880 0.5701 0.6494 0.5329 0.4275 0.5603 0.4212 0.4535 0.4363 0.4602 0.8233 0.4305 0.6401 0.7312 0.5649 0.5708 0.7536 0.6756 0.6693 0.5373 0.6509 0.6499 0.5427 0.7219 0.7112 0.5469 0.5934 0.5677 0.5429 0.6910 0.5533 0.7084 0.5471 0.6630 0.5357 0.6776 0.5521 0.6783 0.6815 0.6208 0.5561 0.5430 d6_cholesterol 0.4028 0.4499 0.4452 0.4511 0.4464 0.4388 0.4195 0.4513 0.4504 0.4311 0.4253 0.4352 0.4550 0.4352 0.4440 0.4396 0.4511 0.4212 0.4409 0.3967 0.7978 0.6356 0.5731 0.6658 0.6130 0.7095 0.5724 0.6149 0.5721 0.6020 0.4951 0.6643 0.5700 0.5999 0.6060 0.5151 0.3948 0.5328 0.5046 0.5061 0.5098 0.5278 0.5025 0.5133 0.5314 0.5226 0.5041 0.5109 0.5076 0.4784 0.5131 0.5135 0.5386 0.5040 0.5335 0.4707 0.4707 0.4109 0.4548 0.4430 0.4628 0.4578 0.4085 0.4598 0.4304 0.4997 0.4304 0.4891 0.4822 0.4873 0.4844 0.4789 0.4915 0.4863 0.4644 0.4459 0.4267 0.4455 0.5122 0.4119 0.4922 0.4950 0.4761 0.4287 0.6978 0.5483 0.5402 0.6070 0.6068 0.5441 0.5383 0.6052 0.6117 0.6704 0.5892 0.8353 0.6269 0.6350 0.6564 0.5487 0.7202 0.6044 0.5703 0.5925 0.4120 0.5261 0.4018 0.4261 0.4225 0.4382 0.8182 0.3807 0.6237 0.6432 0.6528 0.6408 0.6901 0.6100 0.6212 0.6003 0.6078 0.7459 0.5796 0.6383 0.5999 0.5851 0.5806 0.5268 0.5709 0.5137 0.5441 0.7111 0.5289 0.5416 0.5329 0.6327 0.5348 0.5623 D_Alanine D-Alanine 0.6685 0.6720 0.6830 0.6695 0.6840 0.7051 0.6730 0.7061 0.7150 0.6707 0.7263 0.6828 0.6854 0.6686 0.6644 0.6575 0.6741 0.6964 0.6676 0.6583 0.3813 0.6130 0.6237 0.5378 0.6740 0.6058 0.5970 0.6182 0.5948 0.6628 0.7487 0.6804 0.6677 0.6821 0.6741 0.6822 0.6993 0.7425 0.6956 0.6756 0.6886 0.6623 0.6600 0.6534 0.6745 0.6817 0.5948 0.6893 0.5804 0.7047 0.7349 0.7251 0.7286 0.7630 0.7196 0.7487 0.7511 0.6687 0.6201 0.7351 0.7042 0.6913 0.6360 0.7340 0.6851 0.4518 0.6851 0.7359 0.6693 0.6443 0.6159 0.7029 0.6302 0.6252 0.6152 0.4750 0.4845 0.5018 0.5205 0.6245 0.6897 0.4342 0.6908 0.5943 0.6035 0.6113 0.6184 0.6099 0.6184 0.6953 0.6282 0.6094 0.6732 0.6216 0.6321 0.6496 0.6469 0.6616 0.6355 D_Arabinose_5_phosphate 0.4510 0.4170 0.4143 0.3890 0.3973 0.4751 0.4422 0.4240 0.4160 0.4597 0.4432 0.4380 0.3622 0.3894 0.4144 0.4177 0.3865 0.5097 0.5656 0.6277 0.5793 0.5650 0.5846 0.5413 0.4398 0.4399 0.5674 0.4304 0.5463 0.4626 0.5307 0.4657 0.5245 0.4990 0.5164 0.5054 0.4518 0.4699 0.5467 0.5085 0.5098 0.4539 0.5612 0.3730 0.3626 0.4675 0.3745 0.3927 0.4084 0.3935 0.3994 0.4780 0.4784 0.4444 0.5146 0.4902 0.4495 0.4996 0.4423 0.4803 0.4599 0.4932 0.4593 0.5238 0.4857 0.6118 0.5403 0.5289 0.4611 0.5773 0.6677 0.5277 0.5912 0.5663 0.4115 0.4147 0.3827 0.4289 0.5627 0.6340 0.4827 0.4530 0.6280 0.5690 0.5532 0.5656 0.5705 0.6217 0.5954 0.6681 0.5449 0.5267 0.4912 0.5076 0.6212 0.4899 0.6095 0.5363 0.4281 0.4890 0.5036 0.5096 0.4675 0.4850 0.4881 Dehydroisoandrosterone_3_sulfate Dehydroepiandrosterone sulfate 0.4574 0.4588 0.4658 0.5283 0.4624 0.5042 0.5048 0.5021 0.5133 0.5080 0.4561 0.4521 0.4649 0.4599 0.5051 0.4845 0.4753 0.5036 0.4666 0.4918 0.7765 0.5638 0.5352 0.5497 0.5425 0.6178 0.5118 0.5513 0.5024 0.6107 0.5338 0.5460 0.5704 0.5549 0.5581 0.6314 0.6538 0.5543 0.5978 0.5726 0.5234 0.5901 0.5117 0.5351 0.5053 0.5139 0.5384 0.5115 0.5073 0.5130 0.5170 0.4902 0.5009 0.4995 0.4896 0.5142 0.5002 0.5304 0.5071 0.5191 0.4990 0.5133 0.4603 0.4994 0.4630 0.4998 0.4913 0.5029 0.4671 0.5034 0.5278 0.4843 0.4993 0.5083 0.5250 0.5055 0.5050 0.5142 0.5896 0.5035 0.4980 0.5138 0.4866 0.5083 0.5197 0.4842 0.4963 0.5034 0.5203 0.4961 0.6491 0.5360 0.5539 0.5525 0.5936 0.5504 0.5158 0.5757 0.5765 0.6436 0.5065 0.7048 0.5485 0.5881 0.5683 0.4917 0.6070 0.5719 0.5259 0.5155 0.4318 0.6476 0.4295 0.5196 0.4553 0.5814 0.8326 0.4386 0.5170 0.6022 0.5475 0.5497 0.6216 0.5224 0.5034 0.5184 0.5126 0.6482 0.5198 0.5413 0.5724 0.5200 0.5703 0.5428 0.5485 0.5098 0.5204 0.5397 0.5692 0.5166 0.5179 0.6941 0.5422 0.5246 0.5067 0.6134 0.5253 0.5318 deoxycholic_acid Deoxycholic acid 0.3272 0.3249 0.3589 0.3437 0.3234 0.3230 0.3206 0.3189 0.7291 0.4423 0.6427 0.6810 0.6402 0.7403 0.6444 0.6631 0.6434 0.6210 0.4935 0.5928 0.4323 0.4315 0.4549 0.5763 0.5456 0.5024 0.4625 0.4478 0.5006 0.4672 0.4858 0.4752 0.4246 0.4229 0.4621 0.4426 0.4496 0.3801 0.4674 0.4294 0.4238 0.4502 0.4491 0.5008 0.3278 0.3397 0.3223 0.3403 0.4406 0.4189 0.4301 0.4296 0.4307 0.4149 0.4292 0.4582 0.4235 0.4665 0.4998 0.4396 0.5179 0.4698 0.4093 0.4572 0.5352 0.4685 0.4670 0.4956 0.5515 0.5041 0.5423 0.6232 0.5525 0.5384 0.5061 0.5358 0.5957 0.6252 0.6714 0.5703 0.7104 0.4844 0.6201 0.5409 0.5714 0.6377 0.6419 0.3541 0.4065 0.3543 0.3698 0.3892 0.3761 0.3750 0.6178 0.7037 0.6058 0.5932 0.7108 0.6319 0.6344 0.6298 0.6316 0.6198 0.6208 0.6385 0.5344 0.5991 0.5876 0.5464 0.6011 0.6307 0.5011 0.6340 0.6196 0.4662 0.4974 0.6155 0.6212 0.5052 0.6191 0.5784 0.6155 0.4600 Deoxycytidine Deoxycytidine 0.7689 0.7710 0.7688 0.7613 0.7691 0.7631 0.5998 0.7948 0.6296 0.5921 0.7812 0.7753 0.7748 0.7664 0.7032 0.7801 0.7993 1.0795 0.7096 0.7006 0.7523 0.7034 0.8150 0.6951 0.7003 0.6945 0.8164 0.7529 0.7617 0.6931 0.7062 0.7277 0.9103 0.6832 0.7834 0.7910 0.6987 0.7287 0.6931 0.7171 0.7109 0.7285 0.7252 0.7312 0.7337 0.7300 0.7300 0.7400 0.7158 0.7277 0.7288 0.6960 0.7256 0.7200 0.7299 0.7097 0.7121 0.7966 0.7095 0.7967 0.7912 0.7801 0.7793 0.6221 0.7860 0.7102 0.7765 0.7057 0.6974 0.6931 0.7053 0.6867 0.7119 0.7087 0.7134 0.6371 0.7119 0.6740 0.7064 0.7141 0.6914 0.7152 0.6637 0.6905 0.7234 0.7193 0.6805 0.7205 0.6976 0.7563 0.7810 0.7843 0.7066 0.6962 0.7839 0.7918 0.8622 0.6857 0.9791 0.7606 0.7827 0.7258 0.6960 0.7969 0.7985 0.7073 0.7070 0.6578 0.7559 0.6596 0.6724 0.6593 0.5429 0.9346 0.6730 0.7628 0.7671 0.7559 0.7516 0.8006 0.6986 0.6993 0.7348 0.7375 0.8759 0.7249 0.6887 0.7477 0.7043 0.7518 0.7369 0.6974 0.6837 0.7055 0.7181 0.6829 0.7507 0.7296 0.9281 0.6915 0.7358 0.6858 0.8492 0.6903 0.7268 Deoxyguanosine Deoxyguanosine 1.0456 1.0565 1.0704 1.0676 1.0754 1.0757 1.0580 1.0731 1.0880 1.0570 0.9269 1.0594 0.9442 1.0687 1.0549 1.0486 1.0564 1.0730 1.0579 1.0445 1.3659 0.9484 1.0187 1.0952 1.0247 1.1697 1.0260 1.0184 1.0198 1.0485 1.0176 0.9873 0.9212 0.9389 1.0265 1.1761 0.7740 0.9990 1.1013 0.9419 1.0394 0.8141 1.0440 1.0332 1.0364 1.0185 1.0320 1.0194 1.0236 1.0389 1.0352 1.0286 1.0361 1.0353 1.0215 1.0369 1.0263 1.0396 1.0086 1.0276 1.0553 1.0564 1.0618 1.0604 1.0524 1.0590 1.0538 1.0502 1.0543 1.0463 1.0173 0.9766 0.9870 0.9997 0.9990 1.0049 0.9985 0.9969 0.8256 0.9953 0.9919 0.9929 1.0070 1.0005 1.0118 0.9853 0.9908 1.0129 1.0001 0.9875 0.9610 1.0231 0.9554 0.9524 1.1388 1.0198 1.0172 0.9527 0.9773 1.0368 1.0067 1.1798 0.9624 1.1182 1.0255 1.0083 1.1072 1.0002 1.0086 1.0158 1.0406 0.5600 1.0327 0.8611 1.0546 0.6161 1.0824 1.0404 1.0341 1.1354 1.0177 0.9828 1.1609 1.0257 1.0307 1.0167 1.0221 1.0453 1.0272 1.0137 1.1004 0.9846 0.9616 1.0007 0.9725 1.0087 0.9453 1.0135 1.0152 1.0108 1.0166 1.2203 1.0213 1.0204 1.0090 1.0566 1.0246 0.9530 Deoxyribose Deoxyribose 0.7888 0.7930 0.8055 0.8040 0.7983 0.9301 0.7969 0.7952 0.8008 0.8115 0.8187 0.7800 0.9652 0.7979 0.7928 0.7257 0.7829 0.7869 0.7932 0.8001 0.9618 0.7253 0.8204 0.8697 0.9534 0.9848 0.8461 0.8620 0.9239 0.7367 0.8140 0.7103 0.7390 0.7366 0.6537 0.7958 0.7360 0.6370 0.7087 0.7359 0.7778 0.7042 0.7343 0.8018 0.7754 0.7950 0.7942 0.7841 0.7796 0.8219 0.7994 0.7846 0.7968 0.7891 0.8037 0.7879 0.7871 0.7916 0.8162 0.7805 0.7965 0.8003 0.8026 0.8033 0.7995 0.7934 0.8029 0.8005 0.8248 0.8030 0.7751 0.8152 0.8176 0.7958 0.8141 0.8244 0.8234 0.8222 0.7371 0.8146 0.8136 0.8164 0.7893 0.7875 0.8165 0.7881 0.8117 0.8118 0.7872 0.8012 0.6836 0.8461 0.7096 0.7444 0.9707 0.8163 0.8030 0.7164 0.7221 0.8044 0.7934 0.8726 0.6928 0.7688 0.6540 0.8234 0.7218 0.7225 0.8353 0.7590 0.8085 0.6754 0.8581 0.5548 0.7186 0.5817 0.9203 0.7877 0.9484 0.9635 0.7229 0.7086 0.9621 0.8518 0.8269 0.8553 0.9299 0.7780 0.8410 0.8409 0.9752 0.7991 0.7045 0.7015 0.8204 0.8549 0.7751 0.8480 0.7982 0.8396 0.7949 0.8502 0.8106 0.8227 0.7384 0.7463 0.8232 0.7034 D_Glucose_6_phosphate Glucose 6-phosphate 0.7901 0.3811 0.8121 0.8089 0.4368 0.7969 0.3905 0.4503 0.4360 0.7931 0.7930 0.7956 0.8089 0.8033 0.3515 0.7797 0.7930 0.4255 0.7894 0.7813 1.2322 0.7276 0.9864 1.0546 0.8785 1.0039 0.8786 0.9812 0.8736 0.9608 0.9787 0.9171 0.6934 0.6270 0.7927 1.0614 0.7361 0.9418 0.8988 0.7060 0.8257 0.6567 0.8348 0.8182 0.8258 0.8029 0.8328 0.8030 0.8083 0.8388 0.8288 0.8098 0.8124 0.8195 0.8248 0.8238 0.8091 0.8444 0.8115 0.8341 0.7974 0.4218 0.4351 0.4563 0.7964 0.3655 0.7869 0.4783 0.5080 0.4742 0.8181 0.8054 0.8255 0.8320 0.8206 0.8231 0.8188 0.8244 0.6357 0.8191 0.7770 0.8065 0.7979 0.8176 0.8395 0.7521 0.8174 0.8375 0.8206 0.7708 0.7677 0.8626 0.9339 0.9156 0.9640 0.9013 0.8564 0.9391 0.9517 1.0091 0.9602 1.1913 0.9245 1.0746 0.8148 0.9527 0.9884 1.0219 0.9613 0.8790 0.5794 0.6571 0.5665 0.5430 0.5904 0.5930 0.8458 0.5746 0.9950 1.0918 1.0056 0.9743 1.1165 0.9858 0.9909 0.9780 0.9827 1.1118 0.8786 0.8663 0.9417 0.8686 0.9028 0.8859 0.8564 0.8678 0.8806 0.8727 0.8640 0.8694 0.8696 1.0436 0.8773 0.8913 0.8615 0.9803 0.8641 0.8794 D_Glutamine D-Glutamine 0.5492 0.5465 0.5904 0.5565 0.5635 0.6146 0.5717 0.5381 0.6121 0.5450 0.5607 0.5628 0.5725 0.6134 0.5875 0.5772 0.5763 0.5921 0.5274 0.5804 0.8553 0.5670 0.5355 0.5832 0.7761 0.8996 0.7567 0.7579 0.5227 0.6428 0.7405 0.5932 0.5632 0.5272 0.5476 0.7137 0.6317 0.5697 0.6110 0.5444 0.5691 0.5453 0.5746 0.5821 0.5545 0.5692 0.6408 0.5590 0.6086 0.6072 0.6465 0.5993 0.5439 0.5642 0.5468 0.6319 0.5613 0.5715 0.6000 0.5645 0.6036 0.5585 0.5566 0.6100 0.6025 0.5474 0.5999 0.6073 0.6023 0.6147 0.5923 0.6531 0.6780 0.6536 0.5718 0.5607 0.5640 0.6909 0.5390 0.6733 0.5534 0.5684 0.6635 0.5684 0.5693 0.5961 0.6665 0.5848 0.6757 0.6326 0.5872 0.6351 0.6394 0.7962 0.7048 0.5814 0.6434 0.6528 0.7248 0.7082 0.7701 0.6593 0.7952 0.5834 0.6183 0.6177 0.6656 0.5920 0.7441 0.5976 0.6046 0.6102 0.4660 0.6272 0.5390 0.8420 0.5874 0.7067 0.8081 0.6523 0.6601 0.8287 0.6102 0.7344 0.5878 0.6106 0.6733 0.7454 0.6455 0.8139 0.5974 0.6177 0.6414 0.5922 0.7565 0.6028 0.7786 0.5354 0.7314 0.6580 0.6977 0.5593 0.7424 0.7432 0.6357 0.5843 0.5742 D_homoserine D-Homoserine 0.6705 0.6832 0.7324 0.6831 0.6974 0.6384 0.6835 0.7516 0.7694 0.6933 0.6186 0.6802 0.6052 0.6896 0.6860 0.6770 0.6816 0.7139 0.6825 0.6724 0.7162 0.5457 0.6394 0.6959 0.6577 0.7177 0.6080 0.6262 0.6388 0.6209 0.5877 0.5552 0.5661 0.5262 0.5234 0.6659 0.6338 0.5919 0.5883 0.5340 0.6821 0.5436 0.5816 0.7152 0.6852 0.7093 0.6853 0.6908 0.7083 0.6140 0.7177 0.7090 0.6024 0.7018 0.7077 0.8039 0.7086 0.6098 0.7992 0.6859 0.6179 0.5989 0.6229 0.6239 0.6150 0.6470 0.6066 0.6248 0.5968 0.6033 0.5636 0.5866 0.6015 0.5870 0.6251 0.5976 0.6397 0.5996 0.5373 0.5658 0.5963 0.5879 0.7579 0.6367 0.6281 0.5316 0.5901 0.5919 0.6303 0.5736 0.6546 0.7414 0.6242 0.6127 0.6682 0.5844 0.5978 0.6107 0.6354 0.6493 0.5678 0.7293 0.6058 0.6215 0.6380 0.6198 0.6191 0.5836 0.7236 0.4791 0.5578 0.5057 0.4852 0.4671 0.5142 0.7983 0.5243 0.6330 0.7101 0.6078 0.6152 0.6477 0.6277 0.6140 0.6515 0.6536 0.6744 0.6076 0.6044 0.6602 0.5567 0.5945 0.5893 0.6059 0.5746 0.6153 0.6047 0.5780 0.6027 0.6999 0.5879 0.6196 0.6103 0.6329 0.6175 0.5547 Diaminopimelate 2,6-Diaminopimelic acid 0.6975 0.5201 0.5595 0.6942 0.6977 0.6972 0.6933 0.5477 0.7093 0.6919 0.5574 0.5613 0.6838 0.6926 0.6969 0.6923 0.6905 0.7053 0.6972 0.6884 0.8407 0.5028 0.6537 0.6805 0.6361 0.7272 0.6275 0.6260 0.6374 0.6466 0.6286 0.6448 0.4892 0.4094 0.4079 0.7190 0.6374 0.6032 0.4226 0.6472 0.4484 0.6338 0.6381 0.6397 0.6366 0.6469 0.6364 0.6381 0.6461 0.6568 0.6402 0.6407 0.6406 0.6369 0.6466 0.6369 0.6484 0.6155 0.6338 0.6701 0.5045 0.5175 0.6713 0.5124 0.6746 0.6601 0.6637 0.5145 0.5013 0.5510 0.5947 0.6083 0.5877 0.6049 0.6105 0.6245 0.5971 0.6037 0.6004 0.5999 0.6164 0.5843 0.6159 0.6010 0.5897 0.6180 0.5831 0.6021 0.4897 0.6358 0.5790 0.5355 0.6376 0.5684 0.6302 0.6387 0.6448 0.5589 0.6179 0.6933 0.5365 0.6618 0.5058 0.6178 0.5839 0.5810 0.5596 0.6191 0.4947 0.5404 0.4791 0.3778 0.4890 0.3457 0.5046 0.5506 0.7104 0.5608 0.5530 0.6506 0.5663 0.6362 0.5505 0.6220 0.6845 0.6199 0.6192 0.6735 0.5936 0.6121 0.6089 0.6150 0.6247 0.5314 0.6195 0.6164 0.6257 0.6228 0.7023 0.6305 0.6288 0.6192 0.6534 0.6201 0.5405 Diethanolamine Diethanolamine 0.6582 0.6694 0.6764 0.6727 0.6735 0.6714 0.6659 0.6727 0.6744 0.6451 0.6854 0.6681 0.6587 0.6683 0.6681 0.6596 0.6723 0.6888 0.6759 0.6631 1.0861 0.6654 0.7400 0.8029 0.7401 0.8609 0.7441 0.7484 0.7422 0.8403 0.7200 0.7785 0.4878 0.4237 0.4420 0.8982 0.4883 0.7848 0.7512 0.4811 0.6750 0.4900 0.5883 0.6881 0.6745 0.6844 0.6759 0.7062 0.6803 0.6474 0.6883 0.6803 0.6497 0.6780 0.6881 0.6789 0.6938 0.6562 0.6204 0.6781 0.4897 0.5553 0.5444 0.4999 0.5032 0.5479 0.5506 0.5211 0.5392 0.5423 0.6482 0.6548 0.6833 0.6631 0.6704 0.6625 0.6759 0.6933 0.5341 0.6830 0.6565 0.5803 0.6398 0.6327 0.6681 0.5609 0.6465 0.6473 0.6123 0.5938 0.5639 0.7715 0.8178 0.8485 0.8536 0.7632 0.7708 0.8559 0.8626 0.9509 0.7467 0.9880 0.8039 0.8295 0.7260 0.7514 0.7991 0.8344 0.7465 0.7534 0.5291 0.5803 0.5333 0.4707 0.5205 0.4782 0.6277 0.5459 0.7459 0.8371 0.7952 0.8136 0.8589 0.7514 0.7568 0.7550 0.7486 0.9015 0.7420 0.7476 0.7915 0.7669 0.8136 0.7874 0.7557 0.7436 0.7772 0.7341 0.7372 0.7251 0.7372 0.9209 0.7382 0.7362 0.7340 0.8509 0.7222 0.7732 dihydrocholesterol Dihydrocholesterol 0.4105 0.3879 0.3953 0.3722 0.4086 0.3952 0.3838 0.3913 0.4130 0.4073 0.4031 0.3846 0.4064 0.3994 0.3838 0.4150 0.3887 0.3667 0.3567 0.8124 0.5239 0.6548 0.6979 0.6505 0.7484 0.6511 0.6444 0.6494 0.6763 0.6487 0.6692 0.5285 0.4875 0.5497 0.7474 0.5722 0.6828 0.6312 0.5271 0.5197 0.4083 0.5876 0.5949 0.5720 0.5988 0.5720 0.5748 0.6067 0.5936 0.5785 0.5766 0.5897 0.5972 0.5926 0.5221 0.6111 0.5851 0.6056 0.3846 0.3932 0.3879 0.3863 0.3623 0.3800 0.3688 0.4003 0.3936 0.3908 0.5873 0.4338 0.6002 0.5993 0.5887 0.5894 0.5900 0.5912 0.5900 0.4832 0.5794 0.5646 0.5862 0.6114 0.4904 0.5872 0.6043 0.5901 0.5482 0.5970 0.6514 0.6564 0.6709 0.7153 0.6342 0.6427 0.6684 0.6842 0.7091 0.6630 0.7759 0.6786 0.7152 0.5712 0.6332 0.6486 0.6786 0.6530 0.6634 0.3657 0.4983 0.3751 0.4179 0.3744 0.4150 0.6452 0.3696 0.6625 0.7272 0.6745 0.6501 0.7460 0.6597 0.6602 0.6533 0.6562 0.7278 0.6476 0.6375 0.6972 0.6476 0.6418 0.6347 0.5677 0.6458 0.6358 0.6492 0.6357 0.6420 0.6380 0.7146 0.6496 0.6590 0.6276 0.4791 0.6166 0.6034 Dihydrouracil Dihydrouracil 1.0127 1.0315 1.0499 1.0433 1.0343 0.9539 1.0341 1.0359 1.0449 1.0168 0.9732 0.9426 0.9608 1.0389 1.0259 1.0281 1.0244 0.9334 1.0352 1.0249 0.9356 0.6731 0.8159 0.7892 0.8575 0.9232 0.8159 0.8080 0.8456 0.7028 0.7241 0.6226 0.6419 0.6816 0.6516 0.7931 0.5827 0.6357 0.6221 0.6789 0.9600 0.6692 0.7070 0.9277 0.9221 0.9638 0.9162 0.9687 0.9261 0.9155 0.9394 0.9292 0.9183 0.9236 0.9312 0.9200 0.9347 0.9068 0.8040 0.9204 0.8435 0.9936 1.0012 0.8546 0.8317 0.8766 0.8043 0.9963 0.9920 0.8332 0.8829 0.9081 0.9069 0.9131 0.8352 0.8757 0.8681 0.9017 0.9092 0.9004 0.6680 0.9133 0.9092 0.8508 0.7617 0.8706 0.9093 0.8852 0.8902 0.7390 0.6508 0.8160 0.6625 0.6959 0.8492 0.7827 0.7687 0.6738 0.7003 0.7373 0.5755 0.8391 0.6628 0.7020 0.6244 0.7707 0.6824 0.7039 0.7925 0.7299 0.8459 0.6478 0.8583 0.6162 0.8109 0.5383 0.9006 0.8628 0.8431 0.9198 0.6439 0.6576 0.9097 0.8069 0.7055 0.7934 0.8436 0.7638 0.6997 0.7282 0.9158 0.7319 0.6771 0.6507 0.7303 0.7991 0.7675 0.8979 0.6955 0.6435 0.6920 0.7524 0.7073 0.7623 0.6941 0.6716 0.7717 0.6782 dithiothreitol D-1,4-Dithiothreitol 0.6095 0.6475 0.6338 0.6311 0.6179 0.6716 0.6118 0.6239 0.6763 0.6232 0.6145 0.6665 0.6798 0.6233 0.6072 0.6055 0.6631 0.6363 0.6558 0.5979 1.0579 0.7803 0.8152 0.8657 0.8191 0.9511 0.8139 0.8176 0.7958 0.8328 0.7744 0.7652 0.7528 0.7591 0.7506 0.8745 0.7428 0.7776 0.7788 0.7574 0.6735 0.6630 0.6700 0.6883 0.6870 0.6895 0.6873 0.6868 0.6795 0.6894 0.6843 0.6802 0.6794 0.6839 0.6896 0.6781 0.6931 0.6879 0.6994 0.6743 0.5744 0.5764 0.5748 0.6561 0.5712 0.5798 0.5667 0.5675 0.5710 0.5630 0.6912 0.7415 0.7378 0.7133 0.7089 0.7208 0.7275 0.7190 0.6744 0.7224 0.7375 0.7458 0.7128 0.7167 0.7245 0.7294 0.7361 0.7087 0.7194 0.7339 0.7055 0.6736 0.6373 0.6548 0.7121 0.6249 0.6278 0.6450 0.6589 0.7032 0.7912 0.8951 0.7834 0.8730 0.7672 0.7876 0.7937 0.7994 0.7946 0.7909 0.4503 0.5234 0.4707 0.4713 0.4567 0.4706 0.8560 0.5464 0.7832 0.8749 0.7633 0.7533 0.9042 0.8030 0.7962 0.8036 0.7932 0.8539 0.8022 0.8035 0.8651 0.7919 0.7620 0.7807 0.8028 0.8182 0.6284 0.7976 0.7758 0.7892 0.7749 0.9191 0.7734 0.8004 0.7955 0.8408 0.7781 0.7655 DL_2_3_Diaminopropionic_acid 0.5824 0.5722 0.5771 0.5886 0.5813 0.5820 0.5810 0.5879 0.5973 0.5722 0.5588 0.5800 0.5821 0.5965 0.5693 0.5886 0.5875 0.6288 0.5845 0.5697 0.4609 0.6480 0.7148 0.6996 0.7838 0.6888 0.6827 0.6934 0.5252 0.6616 0.4632 0.4717 0.4199 0.4482 0.5263 0.4499 0.6900 0.6672 0.6981 0.6887 0.6891 0.6930 0.6884 0.6903 0.7008 0.7033 0.6890 0.6894 0.6852 0.6909 0.6916 0.6903 0.6989 0.6591 0.6959 0.5498 0.5482 0.5576 0.5587 0.5656 0.5555 0.5397 0.5493 0.5424 0.5572 0.6863 0.6709 0.6813 0.6923 0.6897 0.6855 0.6933 0.6954 0.4163 0.6823 0.6612 0.6714 0.6825 0.6827 0.6934 0.5222 0.6785 0.7048 0.6878 0.6415 0.5438 0.6672 0.5505 0.5535 0.7409 0.6508 0.5686 0.5591 0.5773 0.6026 0.6554 0.4913 0.7421 0.4742 0.4881 0.5100 0.6787 0.6652 0.4662 0.4828 0.4225 0.4695 0.6956 0.7747 0.4885 0.4957 0.7763 0.6845 0.6746 0.6974 0.6987 0.5403 0.6631 0.6592 0.7438 0.4973 0.4869 0.6493 0.5306 0.6681 0.5654 0.6296 0.5212 0.5821 0.6419 0.6198 0.5236 0.5842 0.4834 DL_3_4_Dihydroxymandelic_acid 0.7386 0.7437 0.7570 0.7039 0.7510 0.7499 0.7423 0.7534 0.7656 0.7434 0.7432 0.7477 0.7617 0.7569 0.7470 0.7305 0.7396 0.7650 0.5923 0.7332 1.0310 0.7328 0.7970 0.8486 0.7922 0.9199 0.7807 0.7775 0.7683 0.8112 0.7619 0.7391 0.7337 0.7064 0.7151 0.8846 0.9777 0.7745 0.7957 0.7174 0.6822 0.7373 0.7252 0.6811 0.6821 0.6880 0.7066 0.6979 0.6858 0.7340 0.6901 0.6759 0.7022 0.6889 0.6837 0.7293 0.6840 0.7423 0.6786 0.7002 0.7224 0.7240 0.7260 0.7256 0.7228 0.7292 0.7154 0.7198 0.7211 0.7193 0.6968 0.6930 0.7158 0.7002 0.7181 0.7168 0.7094 0.7190 0.7421 0.7152 0.6951 0.7099 0.7140 0.7127 0.7298 0.6850 0.7158 0.7200 0.7214 0.6624 0.8343 0.7451 0.8954 0.8985 0.8494 0.7597 0.7584 0.7959 0.8093 0.9476 0.7367 0.9458 0.7910 0.8263 0.7468 0.7053 0.7812 0.7917 0.7510 0.7659 0.7186 0.8052 0.7188 0.5238 0.6751 0.6985 0.9007 0.7129 0.7317 0.8332 0.7662 0.7654 0.8591 0.7555 0.7610 0.7498 0.7529 0.8528 0.7655 0.7827 0.8360 0.7140 0.7695 0.7609 0.6758 0.7761 0.8551 0.7945 0.7574 0.7502 0.6899 0.9345 0.7570 0.7647 0.7644 0.8199 0.7379 0.7120 D_L_alpha_epsilon_Diaminopimelic_acid 0.8478 0.8416 0.8507 0.8517 0.8470 0.8819 0.8483 0.9196 0.8619 0.8631 0.8680 0.9193 0.9067 0.8463 0.8426 0.8521 0.8340 0.8618 0.8423 0.8510 0.7500 0.8112 0.8786 0.9448 0.8982 1.0188 0.8918 0.8887 0.8961 0.6530 0.8806 0.5598 0.8498 0.8188 0.6650 0.6923 0.8255 0.6363 0.6948 0.8195 0.8676 0.7838 0.8006 0.8760 0.8738 0.8588 0.8777 0.8609 0.8533 0.8641 0.8714 0.8436 0.8907 0.8627 0.8632 0.8869 0.8498 0.8569 0.8874 0.8531 0.8544 0.8595 0.8625 0.8626 0.8582 0.8513 0.8609 0.8579 0.8556 0.8614 0.8443 0.8829 0.8842 0.8651 0.8750 0.8682 0.8718 0.8776 0.8215 0.8774 0.8827 0.8860 0.8612 0.8565 0.8703 0.8612 0.8821 0.8488 0.8495 0.8711 0.8499 0.9182 1.0397 0.9223 0.9234 0.6665 0.6694 0.8917 0.6529 0.9764 0.6800 0.8891 0.7123 0.6361 0.9023 0.8876 0.7344 0.5811 0.8293 0.4911 0.7604 0.5185 0.5662 0.8076 0.8883 0.9918 0.6656 0.6534 1.0109 0.8936 0.8899 0.8964 0.8967 0.5797 0.8939 0.9028 0.9679 0.8717 0.6138 0.6084 0.8911 0.8981 0.8747 0.8878 0.8725 0.8836 0.8765 0.6749 0.8756 0.8885 0.8869 0.6977 0.8769 0.7142 DL_beta_Hydroxybutyric_acid 0.9553 0.9577 0.9684 0.9539 0.9699 0.9715 0.9598 0.9795 0.9811 0.9399 0.9510 0.9591 0.9761 0.9696 0.9549 0.9514 0.9600 0.9471 0.9544 0.9450 0.9211 0.7812 0.8630 0.8542 0.8529 0.8205 0.8046 0.7641 0.8381 0.6831 0.8205 0.7991 0.8061 0.7853 0.8192 0.9743 0.8177 0.6334 0.8751 0.7887 0.9855 0.8968 0.8285 0.9807 0.9805 0.9655 0.9765 0.9668 0.9740 0.9876 0.9809 0.9771 0.9813 0.9821 0.9674 0.9805 0.9734 0.9833 0.7642 0.9725 0.7228 0.7135 0.6648 0.7236 0.7169 0.7108 0.8236 0.7175 0.7137 0.7194 0.9667 0.9374 0.9362 0.9542 0.9534 0.9606 0.9554 0.9482 0.8457 0.6977 0.7708 0.9453 0.9641 0.9602 0.9569 0.7480 0.9488 0.9662 0.9620 0.7470 0.8143 0.7953 0.7545 0.8496 0.8650 0.7584 0.8938 0.7007 0.8696 0.9595 0.7540 1.0612 0.8322 0.8708 0.8112 0.9320 0.8865 0.8872 0.7557 0.7839 0.7452 0.6575 0.6275 0.5932 0.7362 0.6565 1.0107 0.6384 0.7373 0.8183 0.8228 0.8210 0.8731 0.7463 0.7880 0.7271 0.8272 0.9576 0.7826 0.7686 0.8628 0.9042 0.7993 0.7874 0.8682 0.7737 0.7905 0.7955 0.9265 0.6803 0.8849 0.8423 0.9117 0.8330 0.9018 0.7830 0.9415 0.7572 DL_Homocysteine Homocysteine 0.9065 0.8763 0.8793 0.8697 0.8877 0.9891 0.8969 0.9530 0.9604 0.8873 0.9417 0.9211 0.9511 0.8756 0.8765 0.8555 0.8891 0.8973 0.8573 0.8475 0.6120 0.4304 0.7973 0.8509 0.7479 0.8640 0.7539 0.7917 0.7548 0.4681 0.7798 0.5187 0.4448 0.4303 0.4086 0.4947 0.5089 0.4500 0.4261 0.4737 0.6015 0.6421 0.6595 0.6230 0.6223 0.6148 0.6028 0.5860 0.7790 0.5938 0.5908 0.6464 0.6190 0.6369 0.6418 0.5822 0.5464 0.6891 0.5720 1.0114 1.0076 0.9966 1.0107 1.0028 1.0136 0.8731 0.9106 1.0113 0.9651 0.4193 0.6026 0.5971 0.5908 0.5486 0.6075 0.5800 0.6041 0.5883 0.5921 0.5420 0.5929 0.5882 0.6322 0.4952 0.5965 0.5869 0.6167 0.5701 0.6911 0.4843 0.8297 0.7275 0.7082 0.4809 0.5092 0.7809 0.5362 0.8789 0.4256 0.7963 0.4727 0.4710 0.7709 0.8073 0.6361 0.4199 0.4220 0.6647 0.6183 0.7534 0.8305 0.4879 0.8722 0.7680 0.7772 0.7465 0.7522 0.7612 0.7908 0.8166 0.5658 0.5239 0.4662 0.7567 0.4619 0.7454 0.7746 0.7294 0.7870 0.5281 0.7804 0.7860 0.7756 0.4760 0.7809 0.5565 DL_Isocitric_acid 0.8260 0.7986 0.7912 0.7706 0.8072 1.0019 0.8261 0.8281 0.8111 0.8793 0.8199 0.9986 0.8110 0.8079 0.8158 0.8152 0.8940 0.8109 0.8259 1.0457 0.6528 0.8100 0.8612 0.8194 0.9420 0.8097 0.8153 0.8029 0.6686 0.7724 0.7434 0.7400 0.7408 0.6504 0.8567 0.7933 0.7645 0.7032 0.6349 0.8194 0.6997 0.8407 0.7543 0.8191 0.7150 0.8117 0.7059 0.7345 0.8181 0.8193 0.7221 0.8210 0.6429 0.8212 0.7645 0.7016 0.8821 0.8927 0.8637 0.8862 0.8767 0.8468 0.8297 0.8133 0.8942 0.8610 0.7780 0.7613 0.7659 0.7777 0.7716 0.7900 0.7813 0.7733 0.6694 0.7806 0.7595 0.7331 0.7926 0.7800 0.7854 0.7368 0.7546 0.7925 0.7470 0.7524 0.7787 0.8152 0.7531 0.7736 0.9072 0.7871 0.8000 0.7495 0.8034 0.7772 0.8724 0.7478 0.8816 0.6874 0.8052 0.7269 0.7415 0.7994 0.7859 0.6346 0.6646 0.6604 0.5256 0.6816 0.5983 1.0926 0.6875 0.7816 0.8990 0.7461 0.7434 0.9157 0.7988 0.7761 0.7957 0.7953 0.8255 0.7982 0.8024 0.8673 0.7457 0.7733 0.7713 0.7864 0.8149 0.7255 0.7982 0.7684 0.7828 0.7694 0.9058 0.7753 0.7951 0.8010 0.7381 0.8228 0.7446 DL_Malic_acid Malic acid 0.5857 0.5952 0.5954 0.5881 0.5969 0.5916 0.5806 0.5948 0.6015 0.5820 0.6486 0.6044 0.6468 0.6073 0.5928 0.5851 0.5844 0.5991 0.5886 0.5746 1.0571 0.5651 0.6215 0.6677 0.6242 0.7056 0.6050 0.6145 0.6186 0.7448 0.5933 0.5930 0.5612 0.5530 0.7754 0.8668 0.6962 0.5995 0.8910 0.5448 0.6205 0.5431 0.6255 0.6311 0.6235 0.6225 0.6245 0.6234 0.6235 0.6272 0.6249 0.6222 0.6160 0.6265 0.6256 0.6359 0.6338 0.6238 0.5892 0.6291 0.5648 0.5609 0.5723 0.5649 0.5675 0.5571 0.5619 0.5648 0.5636 0.5613 0.6011 0.5658 0.5667 0.5896 0.5978 0.6032 0.6031 0.5868 0.5558 0.5801 0.5827 0.5826 0.5998 0.5936 0.6069 0.5592 0.5701 0.6028 0.5839 0.5734 0.6549 0.5999 0.6252 0.6585 0.6791 0.6091 0.5925 0.6399 0.6654 0.7058 0.5843 1.0122 0.6335 0.6583 0.7456 0.5967 0.8810 0.6401 0.5907 0.5906 0.4877 0.6294 0.5011 0.4897 0.4965 0.5684 0.8698 0.5010 0.6145 0.6714 0.5957 0.6243 0.6809 0.5995 0.6066 0.6111 0.6079 0.8129 0.6055 0.5906 0.6563 0.5927 0.6402 0.6071 0.5914 0.5881 0.6020 0.5961 0.6329 0.5965 0.5737 0.9565 0.6254 0.6181 0.6004 0.7667 0.6524 0.5891 DL_Norvaline 0.8756 0.8385 0.8037 0.7916 0.8556 0.9668 0.8576 0.9186 0.9256 0.7887 0.5698 0.8890 0.9194 0.8372 0.8391 0.7942 0.8561 0.9423 0.8004 0.7915 0.7936 0.5408 0.7139 0.8259 0.7297 0.8379 0.7310 0.7679 0.7334 0.6156 0.7659 0.5841 0.5982 0.5078 0.5460 0.6485 0.5959 0.5944 0.5809 0.5176 0.7890 0.5598 0.6430 0.8277 0.8094 0.8206 0.8085 0.8161 0.8347 0.7529 0.8287 0.8143 0.6937 0.8042 0.8115 0.8028 0.8225 0.7985 0.6657 0.8269 0.9910 0.9848 0.9688 0.9890 0.9805 0.9917 0.8362 0.8762 0.9958 0.9361 0.6402 0.5882 0.6740 0.6250 0.6063 0.6373 0.6375 0.6520 0.5577 0.6185 0.6873 0.7032 0.6750 0.6398 0.6102 0.5583 0.6844 0.6786 0.6371 0.6231 0.6138 0.6736 0.5945 0.6243 0.8013 0.7075 0.6343 0.6178 0.6516 0.6759 0.7035 0.7144 0.5888 0.8560 0.5399 0.7731 0.6127 0.6020 0.7510 0.7844 0.6018 0.5645 0.6156 0.4933 0.5868 0.5073 0.8622 0.6133 0.7273 0.8049 0.5862 0.6138 0.8400 0.7453 0.7184 0.6988 0.5822 0.6446 0.7374 0.7690 0.7904 0.5949 0.6037 0.5868 0.5245 0.6868 0.5603 0.7353 0.7516 0.7040 0.7647 0.6925 0.7552 0.7605 0.7002 0.6395 0.7556 0.5677 DL_threo_beta_Methylaspartic_acid 0.8696 0.8885 0.8877 0.8058 0.8957 0.8860 0.8716 0.8940 0.8998 0.8724 0.8605 0.8796 0.8727 0.8942 0.8708 0.8730 0.8720 0.8532 0.8827 0.8815 1.0037 0.7930 0.8356 0.9032 0.8566 0.9719 0.8478 0.8447 0.8534 0.7816 0.8441 0.7133 0.7988 0.8002 0.7201 0.8355 0.6914 0.7333 0.7609 0.7987 0.8642 0.7934 0.8378 0.8674 0.8620 0.8547 0.8509 0.8562 0.8575 0.8345 0.8646 0.8585 0.8475 0.8657 0.8572 0.8510 0.8591 0.8355 0.8312 0.8591 0.8848 0.8361 0.8402 0.8399 0.8378 0.8774 0.8201 0.8262 0.8475 0.8820 0.8700 0.8357 0.8118 0.8262 0.8267 0.8434 0.8561 0.8291 0.7675 0.8035 0.8179 0.8427 0.8775 0.8559 0.8287 0.8231 0.8323 0.8687 0.8259 0.8706 0.7849 0.8431 0.7492 0.7608 0.9469 0.8791 0.8422 0.7922 0.7146 0.8584 0.8340 0.9068 0.7318 0.9409 0.7105 0.7452 0.7542 0.7338 0.8425 0.8793 0.7357 0.7217 0.7566 0.6025 0.7798 0.6387 1.0684 0.7656 0.8198 0.9391 0.6421 0.6981 0.9571 0.8505 0.8380 0.8470 0.8478 0.7796 0.8336 0.8470 0.9306 0.7250 0.7549 0.7400 0.8294 0.8436 0.8118 0.7760 0.7609 0.8629 0.8288 0.8726 0.7599 0.8472 0.8485 0.7831 0.8229 0.7381 D_Neg_Penicillamine Penicillamine 0.8052 0.9942 0.8378 0.7952 0.7548 0.9968 0.7573 1.0120 0.8298 0.9867 0.8743 0.9973 0.9938 0.6392 0.7672 0.9917 0.9935 0.8283 0.7659 0.9907 1.1189 0.7696 0.8420 0.8555 0.9466 0.9507 0.8272 0.8274 0.9385 0.8404 0.8208 0.7843 0.7709 0.7564 0.7922 0.9418 0.7737 0.8035 0.8347 0.7645 0.9798 0.7608 0.8278 0.9758 0.8839 0.7534 0.9714 0.8871 0.9662 0.9788 0.8913 0.8762 0.9760 0.9774 0.8890 0.9775 0.8862 0.9774 0.8585 0.9702 0.8442 0.8560 0.8652 0.6923 0.8526 0.9071 0.8165 0.7034 0.8519 0.8297 0.9685 0.8329 0.8342 0.9564 0.8855 0.9599 0.9508 0.8829 0.7632 0.8542 0.8210 0.8029 0.9624 0.8888 0.8897 0.6965 0.8058 0.9647 0.8834 0.8107 0.8912 0.7761 0.8717 0.9297 0.7733 0.8380 0.7925 0.8830 0.9605 0.8002 0.9801 0.8196 0.9625 0.7664 0.7877 0.8856 0.8004 0.8197 0.7470 0.8041 0.8797 0.8333 0.6939 0.7634 0.7374 1.1023 0.9450 0.8707 1.0502 0.8024 0.7696 0.9489 0.8265 0.8379 0.8131 0.9379 0.8426 0.8601 0.6990 1.0151 0.7321 0.7354 0.7860 0.7524 0.8097 0.8720 0.7710 0.7863 0.8337 0.8116 0.9854 0.8283 0.7917 0.7948 0.8938 0.7771 0.7387 D_Neg_Ribose Ribose 0.9572 0.9751 0.9840 0.9730 0.9866 0.9727 0.9795 0.9818 0.9889 0.9580 0.9444 0.9668 0.9714 0.9855 0.9754 0.9673 0.9746 0.9445 0.9751 0.9673 1.0626 0.7239 0.9302 1.0047 0.9546 1.0081 0.9461 0.8645 0.8843 0.7816 0.8328 0.7567 0.7032 0.7424 0.8226 0.7910 0.7955 0.7835 0.7138 0.9794 0.7106 0.9719 0.9769 0.9795 0.9625 0.9746 0.9661 0.9655 0.9832 0.9747 0.9681 0.9796 0.9774 0.9640 0.9792 0.9673 0.9784 0.8921 0.9708 0.8905 0.9478 0.9491 0.9525 0.8843 0.9331 0.9551 0.9415 0.9441 0.9473 0.9656 0.9418 0.9327 0.9540 0.9307 0.9578 0.9528 0.9423 0.7057 0.9497 0.9381 0.9393 0.9637 0.9556 0.9572 0.8504 0.9418 0.9664 0.9635 0.9389 0.7619 0.9425 0.8075 0.8534 0.9779 0.9323 0.8237 0.8352 0.8728 0.9456 0.9380 0.8313 1.0326 0.7271 0.9288 0.8011 0.8442 0.8335 0.9304 0.9094 0.7817 0.9113 0.8029 0.9003 0.7683 1.0566 0.8460 0.9466 1.0045 0.7885 0.8187 0.9920 0.8636 0.8378 0.8962 0.8689 0.8501 0.9375 0.9318 1.0258 0.8515 0.8477 0.8180 0.8558 0.9337 0.7950 0.9338 0.8386 0.9308 0.8237 0.8744 0.8447 0.9318 0.9336 0.8508 0.9271 0.7815 docosahexaenoic_acid Docosahexaenoic acid 0.4357 0.4522 0.4581 0.4652 0.4589 0.4532 0.4133 0.4518 0.4642 0.4577 0.4191 0.4526 0.4341 0.4446 0.4468 0.4360 0.4468 0.4695 0.4539 0.4576 0.7436 0.5284 0.6014 0.6414 0.5995 0.6915 0.6046 0.6153 0.6029 0.6165 0.5838 0.5686 0.5241 0.5190 0.5217 0.6323 0.6058 0.5691 0.5561 0.5170 0.5111 0.5099 0.4996 0.5074 0.4810 0.5081 0.5159 0.5054 0.5026 0.5263 0.5177 0.4935 0.5096 0.4985 0.4839 0.4772 0.4976 0.5180 0.4891 0.5180 0.4571 0.4601 0.4579 0.4542 0.4596 0.4600 0.4554 0.4437 0.4529 0.4600 0.4519 0.4877 0.5198 0.5085 0.5156 0.5101 0.5034 0.5339 0.5219 0.5089 0.4855 0.4804 0.4773 0.4818 0.5204 0.4833 0.4939 0.5248 0.5057 0.4814 0.6305 0.5834 0.5461 0.5904 0.6391 0.5715 0.5693 0.5651 0.5636 0.6343 0.5936 0.6923 0.5785 0.6687 0.5518 0.5770 0.5784 0.5901 0.5941 0.5992 0.4252 0.5452 0.4152 0.4213 0.4539 0.4477 0.7144 0.4594 0.5813 0.6674 0.5849 0.5745 0.6832 0.6022 0.6046 0.5975 0.6030 0.5971 0.5906 0.6160 0.6430 0.5789 0.5804 0.5993 0.5546 0.6000 0.5343 0.6104 0.5817 0.5773 0.5672 0.6699 0.5905 0.5958 0.5910 0.6153 0.5790 0.5702 Dopamine Dopamine 0.6534 0.5453 0.6225 0.5754 0.6241 0.7042 0.6035 0.6024 0.6382 0.7271 0.5611 0.6665 0.5752 0.7294 0.6073 0.5874 0.5806 0.6705 0.6156 0.6725 0.9920 0.6911 0.7799 0.7390 0.8132 0.8206 0.6750 0.7399 0.6650 0.9219 0.6611 0.8193 0.6384 0.6044 0.5932 0.8900 0.6584 0.7121 0.6834 0.6306 0.4492 0.5520 0.6004 0.7745 0.7084 0.7254 0.6312 0.6730 0.6255 0.6559 0.6107 0.6734 0.6485 0.6388 0.5946 0.6556 0.6503 0.7380 0.5835 0.6150 0.6121 0.5503 0.5605 0.5640 0.7364 0.5639 0.5608 0.5432 0.6354 0.5306 0.5636 0.5778 0.5665 0.5613 0.6821 0.5792 0.6988 0.5715 0.6246 0.5013 0.5595 0.5763 0.5344 0.5755 0.5032 0.6437 0.5835 0.5650 0.5469 0.6691 0.6727 0.8489 0.7296 0.8518 0.7229 0.6752 0.7542 0.7967 0.8228 0.6578 0.9338 0.7068 0.7324 0.6194 0.6638 0.6867 0.7225 0.6543 0.6557 0.4973 0.6854 0.6711 0.6338 0.6460 0.7217 0.7905 0.5270 0.8295 0.7428 0.7762 0.7766 0.9113 0.6785 0.6902 0.6714 0.6719 0.8072 0.6658 0.8256 0.7087 0.8233 0.7905 0.7074 0.6706 0.6617 0.7348 0.6662 0.6812 0.7215 0.6570 0.8064 0.6560 0.7681 0.6603 0.8839 0.6645 0.8106 D_Ornithine D-Ornithine 0.8378 0.8486 0.8446 0.8436 0.8491 0.8119 0.8433 0.8423 0.8460 0.8332 0.8333 0.8405 0.8349 0.8545 0.8487 0.8433 0.8459 0.8020 0.8478 0.8449 0.8038 0.7676 0.8109 0.8706 0.9687 0.8572 0.8559 0.8688 0.8125 0.4398 0.4047 0.8789 0.8257 0.8862 0.8821 0.8824 0.8779 0.8872 0.8889 0.8981 0.8943 0.8833 0.8791 0.8789 0.8850 0.8786 0.8871 0.8858 0.8531 0.8801 0.8159 0.8080 0.8275 0.8274 0.8312 0.8250 0.8175 0.8224 0.7842 0.8186 0.8489 0.8350 0.8133 0.8425 0.8567 0.8552 0.8483 0.8514 0.8345 0.8380 0.8127 0.8546 0.8363 0.8502 0.6320 0.8293 0.8485 0.8146 0.8253 0.3913 0.7875 0.9402 0.8014 0.4934 0.8263 0.9220 0.3960 0.4988 0.8463 0.7875 0.6758 0.7347 0.6866 0.7645 0.8681 0.9710 0.9799 0.8582 0.8235 0.8728 0.8807 0.8232 0.7575 0.9290 0.8156 0.8361 0.5214 0.6773 0.4610 0.5587 0.6896 0.6785 0.5851 D_Pos_Allose Allose 0.6334 0.6311 0.6294 0.6291 0.6367 0.6442 0.6158 0.6405 0.6388 0.6181 0.6299 0.6325 0.6428 0.6452 0.6259 0.6115 0.6343 0.6470 0.6288 0.6224 1.2203 0.7042 0.7622 0.8794 0.7140 0.8108 0.7043 0.7714 0.6655 0.9830 0.7472 0.8573 0.7373 0.6963 0.7042 0.8777 0.7671 0.8050 0.7354 0.6798 0.7145 0.6175 0.7065 0.6696 0.7073 0.6972 0.6994 0.6653 0.7020 0.7295 0.7083 0.6384 0.6327 0.6943 0.6884 0.7033 0.7009 0.6648 0.6739 0.6929 0.6136 0.6033 0.6126 0.6234 0.6091 0.6130 0.5948 0.6130 0.6019 0.5981 0.7111 0.6730 0.7082 0.7111 0.7169 0.7039 0.7213 0.7182 0.5982 0.6994 0.6876 0.7036 0.7220 0.6925 0.7149 0.6579 0.6956 0.7141 0.6725 0.6869 0.8829 0.8336 0.8371 0.8698 0.7775 0.7860 0.8250 0.8800 0.8880 0.8951 0.7686 0.9832 0.8700 0.8261 0.7964 0.8572 0.8065 0.9076 0.7216 0.8166 0.5763 0.6575 0.5828 0.6541 0.6112 0.6464 0.9685 0.5865 0.7754 0.8335 0.9168 0.9218 0.8781 0.7481 0.8074 0.7422 0.7525 1.0001 0.7417 0.8107 0.7731 0.8553 0.9044 0.9024 0.8061 0.6824 0.8214 0.6858 0.7634 0.6851 0.7936 1.0019 0.7861 0.7921 0.7671 0.8301 0.8481 0.8552 D_Pos_Galactosamine Galactosamine 0.6630 0.6542 0.6652 0.6021 0.6697 0.6427 0.6657 0.6780 0.6849 0.6585 0.7334 0.6688 0.6486 0.6653 0.6461 0.6494 0.6626 0.7529 0.6558 0.6486 0.6891 0.5028 0.5909 0.7044 0.6779 0.7692 0.7587 0.7359 0.6707 0.7187 0.6895 0.5288 0.5104 0.4729 0.4931 0.8024 0.5674 0.6661 0.5152 0.5054 0.6958 0.6449 0.6495 0.6942 0.6904 0.7047 0.6868 0.7056 0.6941 0.5934 0.7089 0.6837 0.6589 0.6841 0.7291 0.6852 0.7046 0.6416 0.6233 0.6812 0.5856 0.5052 0.5884 0.5802 0.5798 0.5870 0.5228 0.5764 0.5839 0.5917 0.6191 0.6704 0.6729 0.6031 0.6345 0.6311 0.6284 0.6316 0.5092 0.6961 0.6602 0.6590 0.6239 0.6326 0.6323 0.6323 0.6572 0.6335 0.6403 0.6572 0.5777 0.6698 0.5775 0.6759 0.7295 0.6727 0.6563 0.6701 0.6244 0.6045 0.6633 0.8764 0.5764 0.7426 0.5175 0.6556 0.7220 0.6860 0.7175 0.6728 0.6804 0.4298 0.5518 0.4512 0.6046 0.4774 0.6947 0.5482 0.6671 0.7374 0.5894 0.5937 0.8336 0.7535 0.7048 0.6720 0.6714 0.6232 0.6878 0.5990 0.6867 0.5775 0.5251 0.5380 0.5815 0.7307 0.6474 0.6674 0.6573 0.6565 0.5831 0.6545 0.5347 0.6684 0.5678 0.5934 0.5872 0.6434 D_Pos_Galactose Galactose 0.5328 0.6071 0.6201 0.6295 0.6335 0.5991 0.6049 0.6111 0.6281 0.6162 0.5484 0.5544 0.5591 0.5916 0.5825 0.5734 0.5708 0.6074 0.6034 0.5893 0.7435 0.5233 0.6616 0.6704 0.6822 0.7624 0.6256 0.6744 0.6384 0.5562 0.5690 0.5371 0.5462 0.5083 0.4882 0.5976 0.5887 0.5516 0.5569 0.5249 0.6071 0.5279 0.5272 0.6227 0.6315 0.6065 0.6347 0.6397 0.6178 0.5516 0.6469 0.6225 0.6054 0.6001 0.6525 0.6141 0.6490 0.5806 0.5850 0.6085 0.5710 0.5876 0.5866 0.5842 0.5452 0.5961 0.6078 0.6012 0.6403 0.6142 0.5361 0.5430 0.5603 0.5680 0.5726 0.5889 0.5792 0.5841 0.5183 0.5669 0.5392 0.5469 0.5602 0.5658 0.5951 0.5175 0.5419 0.5998 0.5564 0.5208 0.6029 0.5426 0.5386 0.5850 0.5825 0.5724 0.5041 0.5613 0.5619 0.6181 0.5181 0.6850 0.5725 0.5795 0.5462 0.5382 0.5861 0.5534 0.5485 0.4890 0.5168 0.4218 0.5100 0.4639 0.4577 0.4620 0.7192 0.5188 0.5537 0.6900 0.5429 0.5491 0.6293 0.5769 0.5641 0.6050 0.6321 0.5775 0.5936 0.5857 0.7168 0.5281 0.5376 0.5580 0.5298 0.5335 0.5182 0.6793 0.5457 0.5073 0.5109 0.6539 0.5724 0.6163 0.5262 0.6039 0.5290 0.5079 D_Pos_Galacturonic_acid Galacturonic acid 0.8955 0.8659 0.8868 0.8874 0.8820 0.8748 0.8792 0.8935 0.9053 0.9029 0.8394 0.8726 0.8821 0.8848 0.8627 0.8721 0.8771 0.8951 0.8502 0.4974 0.5151 0.6682 0.7272 0.5878 0.6063 0.6549 0.5301 0.6049 0.5474 0.6264 0.6296 0.6252 0.8009 0.5336 0.6121 0.6350 0.6188 0.6303 0.6282 0.4933 0.6243 0.6483 0.8217 0.6705 0.6207 0.8250 0.8845 0.6747 0.7445 0.6915 0.5362 0.5555 0.5364 0.4827 0.5121 0.5038 0.4962 0.4811 0.3171 0.5245 0.4640 0.5241 0.5222 0.4970 0.4520 0.5414 0.5206 0.4313 0.4642 0.6222 0.5718 0.5416 0.4752 0.5013 0.4503 0.5248 0.5978 0.7000 0.6649 0.6140 0.4766 0.6204 0.6489 0.5425 0.6654 0.5438 0.6178 0.5010 0.4509 D_Pos_Glucosamine Glucosamine 0.5633 0.4993 0.5383 0.5204 0.5333 0.5995 0.5213 0.5195 0.5376 0.6287 0.5234 0.5746 0.5265 0.6252 0.5245 0.5080 0.5137 0.5710 0.5184 0.5738 0.8658 0.6011 0.6970 0.6447 0.7317 0.7194 0.5903 0.6517 0.5804 0.8362 0.5755 0.7345 0.5550 0.5143 0.5195 0.7816 0.5374 0.6225 0.5884 0.5483 0.5979 0.5856 0.5333 0.6939 0.6387 0.6481 0.6325 0.5972 0.6282 0.5848 0.5438 0.6783 0.6485 0.6271 0.5448 0.6554 0.6515 0.6630 0.5884 0.5510 0.5310 0.4879 0.4987 0.4922 0.6492 0.4889 0.4982 0.4859 0.5414 0.4828 0.5466 0.5521 0.5159 0.5093 0.4985 0.6104 0.5088 0.6231 0.5648 0.4921 0.5086 0.5208 0.5314 0.5775 0.4448 0.6468 0.5228 0.5040 0.5422 0.6198 0.5935 0.7604 0.6380 0.7502 0.6326 0.5940 0.6579 0.6988 0.7302 0.5818 0.9271 0.6267 0.6487 0.5535 0.5880 0.5977 0.6394 0.5781 0.5805 0.4367 0.6119 0.5418 0.5498 0.5334 0.6163 0.6350 0.4395 0.7511 0.6601 0.6878 0.6873 0.8208 0.6018 0.6195 0.5965 0.5938 0.7100 0.5820 0.7500 0.6179 0.7429 0.6932 0.6166 0.5878 0.5809 0.6513 0.5820 0.5971 0.6397 0.5731 0.7034 0.5769 0.6803 0.5797 0.7825 0.5844 0.7285 D_Pos_Glucose Glucose 0.5090 0.5950 0.6059 0.6048 0.6223 0.6122 0.5988 0.6123 0.6203 0.6026 0.5204 0.5905 0.5271 0.5969 0.5952 0.5709 0.5466 0.5757 0.5935 0.5820 0.7945 0.5271 0.6330 0.6653 0.5806 0.6969 0.6327 0.6273 0.6157 0.6530 0.6082 0.6380 0.5456 0.4999 0.4864 0.6359 0.5785 0.6309 0.5286 0.5179 0.5674 0.5156 0.5479 0.5963 0.5668 0.5770 0.5797 0.4518 0.5477 0.5709 0.6158 0.5626 0.5661 0.5877 0.5564 0.5725 0.5557 0.5612 0.5436 0.5467 0.5809 0.5812 0.5756 0.5828 0.5735 0.5589 0.5839 0.6175 0.5700 0.5533 0.5568 0.5311 0.5576 0.5369 0.5540 0.5396 0.5344 0.5641 0.5349 0.5052 0.5632 0.5659 0.5790 0.5209 0.5114 0.5564 0.5290 0.5358 0.5980 0.5838 0.5346 0.6473 0.6428 0.5705 0.5753 0.5564 0.6223 0.6466 0.6106 0.7317 0.5800 0.6755 0.5585 0.6094 0.5860 0.6419 0.6153 0.6209 0.4196 0.4938 0.4186 0.4505 0.4160 0.4608 0.6415 0.4128 0.5267 0.6885 0.6410 0.6334 0.7051 0.6198 0.6265 0.6191 0.6184 0.6227 0.6193 0.6238 0.6519 0.5990 0.6424 0.6313 0.6026 0.6261 0.5782 0.6226 0.6050 0.6065 0.6358 0.7052 0.6117 0.6280 0.6079 0.6749 0.6011 0.6197 D_Pos_Mannose Mannose 0.5311 0.6062 0.6168 0.6252 0.6298 0.5997 0.6000 0.6032 0.6257 0.6150 0.5362 0.5433 0.5405 0.5765 0.5819 0.5769 0.5576 0.5989 0.6006 0.5854 0.7417 0.5317 0.6577 0.6676 0.6822 0.7679 0.6206 0.6729 0.6327 0.5512 0.5728 0.5494 0.5352 0.5020 0.5125 0.6147 0.5887 0.5641 0.5569 0.5122 0.5438 0.5279 0.5434 0.5934 0.5960 0.6008 0.6045 0.6091 0.5913 0.5509 0.6126 0.5921 0.5860 0.6001 0.5816 0.6198 0.6214 0.5802 0.5685 0.6234 0.5710 0.5993 0.5849 0.5803 0.5567 0.5938 0.6072 0.5990 0.6394 0.6117 0.5555 0.5354 0.5629 0.5666 0.5788 0.5875 0.5817 0.5764 0.5183 0.5648 0.5469 0.5549 0.5716 0.5584 0.5861 0.5149 0.5459 0.5941 0.5561 0.5156 0.5796 0.5367 0.5543 0.5844 0.5855 0.5698 0.5041 0.5605 0.5853 0.6328 0.5181 0.6656 0.5857 0.5926 0.5393 0.5645 0.5860 0.5731 0.5812 0.5361 0.4104 0.5486 0.5107 0.4639 0.5294 0.5231 0.7173 0.5236 0.5537 0.6900 0.5597 0.5451 0.6713 0.5915 0.5643 0.6050 0.6321 0.6200 0.5936 0.5979 0.7121 0.5259 0.5376 0.5675 0.5340 0.5516 0.5179 0.6778 0.5491 0.5537 0.5157 0.6613 0.5799 0.6152 0.5262 0.5927 0.4797 0.5154 D_Ribose_5_phosphate Ribose 0.5257 0.5005 0.5375 0.5348 0.5486 0.5453 0.5448 0.5672 0.5500 0.5427 0.5517 0.5272 0.5172 0.5519 0.5294 0.5154 0.5114 0.5451 0.5372 0.5388 0.8812 0.6234 0.5610 0.6286 0.6190 0.7464 0.7307 0.6397 0.5785 0.6748 0.5654 0.6141 0.6171 0.6103 0.5966 0.7265 0.7355 0.6231 0.6640 0.6282 0.5900 0.6828 0.6088 0.5907 0.5888 0.5718 0.5988 0.5778 0.5744 0.5914 0.5999 0.5863 0.6007 0.6009 0.5965 0.6039 0.5944 0.5909 0.5821 0.5988 0.5595 0.5574 0.5657 0.5724 0.5610 0.5543 0.5494 0.5622 0.5624 0.5558 0.5924 0.5489 0.5602 0.5820 0.5699 0.5691 0.5660 0.5366 0.6705 0.5672 0.5636 0.5711 0.5704 0.5795 0.5794 0.5650 0.5599 0.5769 0.5828 0.5661 0.7091 0.5612 0.5878 0.6392 0.6185 0.5389 0.5549 0.6359 0.6429 0.6766 0.5457 0.7820 0.6043 0.6166 0.6237 0.5576 0.6345 0.6381 0.5895 0.5351 0.5581 0.5995 0.4605 0.4817 0.5022 0.5025 0.8903 0.4540 0.5797 0.7846 0.6136 0.6116 0.7200 0.6482 0.5825 0.7074 0.5289 0.7111 0.6050 0.5841 0.6264 0.5906 0.6154 0.6069 0.5955 0.6123 0.5461 0.5728 0.5843 0.5599 0.5647 0.7495 0.5740 0.5584 0.5833 0.6937 0.5623 0.5941 D_Ribulose_1_5_diphosphate 0.4585 0.5011 0.5012 0.5169 0.4988 0.5092 0.4958 0.5015 0.5021 0.4989 0.4906 0.4591 0.5017 0.4796 0.4792 0.4805 0.4822 0.4835 0.4916 0.4975 0.8588 0.5963 0.6750 0.7435 0.7387 0.8169 0.6615 0.7003 0.7064 0.6211 0.5443 0.5959 0.5837 0.5994 0.6180 0.7204 0.7199 0.6170 0.6437 0.6039 0.5751 0.6914 0.5881 0.5726 0.5796 0.5635 0.5565 0.5672 0.5672 0.5684 0.5685 0.5752 0.5626 0.5809 0.5701 0.5842 0.5771 0.5702 0.5762 0.5656 0.4351 0.4720 0.4562 0.4649 0.4722 0.4619 0.4595 0.4605 0.4865 0.4782 0.5689 0.5484 0.5500 0.5589 0.5724 0.5567 0.5562 0.5513 0.6752 0.5677 0.5495 0.5606 0.5600 0.5550 0.5570 0.5599 0.5518 0.5611 0.5609 0.5574 0.7619 0.6185 0.6132 0.6486 0.6626 0.6501 0.5190 0.6294 0.6586 0.7276 0.5607 0.7444 0.5820 0.6839 0.5956 0.6203 0.6424 0.6082 0.6066 0.6681 0.4477 0.5959 0.4425 0.4647 0.4495 0.5061 0.9113 0.4386 0.6672 0.7916 0.5805 0.5833 0.8022 0.6956 0.6885 0.7096 0.7206 0.6615 0.5724 0.6977 0.6877 0.5678 0.5883 0.5806 0.5452 0.6458 0.5584 0.6890 0.5279 0.5512 0.5321 0.7416 0.5437 0.5964 0.5471 0.6681 0.5531 0.5571 D_Sorbitol_6_phosphate 0.4388 0.4659 0.4719 0.4684 0.4713 0.4659 0.4659 0.4632 0.4745 0.4702 0.4464 0.4611 0.4563 0.4596 0.4707 0.4638 0.4520 0.4701 0.4598 0.4618 0.7900 0.5671 0.6771 0.7183 0.6442 0.7665 0.6319 0.6367 0.6161 0.6148 0.6255 0.5491 0.5587 0.5308 0.5530 0.6673 0.6451 0.5596 0.6069 0.5534 0.5012 0.5089 0.4746 0.4980 0.4633 0.4775 0.4910 0.4841 0.4992 0.5021 0.5044 0.4943 0.5070 0.5008 0.4631 0.4860 0.4770 0.4923 0.4352 0.4825 0.4527 0.4708 0.4851 0.4712 0.4803 0.4780 0.4613 0.4599 0.4713 0.4727 0.4909 0.5013 0.5148 0.5140 0.5119 0.5099 0.5201 0.5224 0.5267 0.5159 0.4775 0.4952 0.5043 0.5066 0.5189 0.4902 0.5062 0.5212 0.5168 0.4738 0.6448 0.5434 0.5667 0.5810 0.6027 0.5432 0.5321 0.5882 0.5847 0.6295 0.5794 0.6936 0.5661 0.6438 0.5593 0.5279 0.5954 0.5785 0.5872 0.6244 0.4119 0.5444 0.4270 0.4431 0.4297 0.4716 0.8400 0.4181 0.5915 0.6605 0.5706 0.5675 0.6960 0.6168 0.6101 0.5942 0.5948 0.6572 0.6059 0.6596 0.6364 0.5335 0.5713 0.5647 0.5180 0.6301 0.5086 0.6586 0.6059 0.5948 0.5096 0.6950 0.6165 0.6231 0.6207 0.6175 0.5354 0.5277 D_Threitol Threitol 0.8402 0.7441 0.8038 0.7977 0.7552 0.8672 0.7877 0.7649 0.7870 0.8727 0.8599 0.9141 0.7703 0.7628 0.7374 0.7563 0.8554 0.7648 0.7684 1.0051 0.7438 0.8272 0.8277 0.8228 0.9424 0.8196 0.8227 0.7880 0.8691 0.8023 0.8906 0.7254 0.7349 0.7467 0.8776 0.7584 0.8700 0.7608 0.7394 0.7744 0.7350 0.8177 0.8065 0.8106 0.7934 0.7785 0.7576 0.7908 0.7585 0.7948 0.8038 0.8048 0.7511 0.8066 0.8093 0.7933 0.7681 0.8196 0.7615 0.7212 0.7582 0.7599 0.7580 0.7579 0.7567 0.7553 0.7234 0.7545 0.9692 0.9177 0.9032 0.9490 0.9460 0.9587 0.9525 0.9430 0.7293 0.9357 0.8888 0.8886 0.9666 0.9585 0.9502 0.7466 0.9289 0.9549 0.8559 0.7961 0.7739 0.9271 0.8534 0.7893 0.7737 0.9540 0.9050 0.7616 0.8797 0.9088 0.7453 0.7648 0.7626 0.8905 0.6851 0.7662 0.9039 1.1833 0.7064 0.7860 0.7683 0.7938 0.8834 0.7288 0.7583 0.7483 0.8124 0.8789 0.8599 0.8462 0.8057 0.9083 0.7591 0.8074 0.7679 0.7629 0.8201 0.7689 0.8966 0.7603 0.8103 0.7782 0.9054 0.7653 0.7886 D_Xylulose L-Ribulose 1.0450 1.0540 1.0606 1.0682 0.9089 1.0598 1.0743 1.0825 1.0516 0.8894 1.0554 0.9101 1.0638 1.0511 1.0483 1.0498 0.8882 1.0505 1.0387 0.9515 0.7344 1.0095 1.0829 1.0040 1.1587 1.0083 1.0125 1.0067 0.8261 0.9972 0.7836 0.6302 0.6286 0.6669 0.8597 0.6570 0.7714 0.7065 0.6329 1.0508 0.6800 1.0390 1.0492 1.0485 1.0311 1.0460 1.0363 1.0361 0.8790 1.0466 1.0395 1.0502 1.0476 1.0339 1.0504 1.0361 1.0496 1.0152 1.0407 1.0404 1.0369 1.0413 1.0434 1.0375 1.0225 1.0467 1.0301 1.0336 1.0361 0.9076 0.9976 0.7694 0.8973 0.8899 0.9009 0.8995 0.8902 0.8495 0.9969 1.0075 1.0087 0.9113 0.8899 0.8921 0.9837 0.8157 0.9110 0.8935 1.0093 0.7536 0.9974 0.8068 0.8118 1.1134 1.0005 0.9912 0.8141 0.7855 0.9901 0.8677 0.7762 1.1011 0.6639 0.9865 0.7212 0.8069 0.9937 0.9984 0.6995 0.7925 0.7713 0.7616 0.8396 0.7478 0.8683 0.7904 1.0038 1.1122 0.8148 0.8373 1.1443 1.0084 1.0105 1.0035 1.0035 0.8620 0.9995 1.0065 1.0716 0.8207 0.8124 0.8228 0.8572 0.9958 0.8370 0.9972 0.9908 0.9944 0.9809 0.8646 0.9962 1.0094 0.9978 0.8332 0.9916 0.7961 Elaidic_acid Elaidic acid 0.6969 0.7011 0.5177 0.7134 0.7014 0.7061 0.6969 0.5170 0.7165 0.6996 0.7075 0.6961 0.7222 0.7049 0.6960 0.6827 0.6949 0.7046 0.6928 0.6876 1.2582 0.7528 0.8915 0.9664 0.9067 1.0416 0.9158 0.9054 0.9056 0.9965 0.8897 0.9437 0.6743 0.6165 0.7750 1.0586 0.7525 0.9616 0.8959 0.7101 0.7384 0.5684 0.7783 0.7572 0.7519 0.7593 0.7827 0.7611 0.7542 0.8002 0.7819 0.7496 0.7493 0.7446 0.7532 0.7598 0.7458 0.8042 0.7480 0.8093 0.7127 0.7087 0.7056 0.7049 0.7247 0.7214 0.7063 0.7205 0.6961 0.7047 0.6974 0.6943 0.7314 0.7067 0.7190 0.7214 0.7310 0.7372 0.7278 0.6737 0.6801 0.6865 0.6963 0.7381 0.5998 0.6990 0.7289 0.7042 0.6305 0.7079 0.8588 0.8976 0.9278 0.9274 0.8247 0.8400 0.9212 0.9488 1.0475 0.8549 1.1196 0.9261 0.9578 0.7837 0.8739 0.8882 0.9523 0.8674 0.8747 0.6178 0.2240 0.8385 0.8947 0.9996 0.9451 0.9437 1.0177 0.9028 0.9015 0.8911 0.8976 1.0426 0.8737 0.8810 0.9254 0.8797 0.9282 0.9158 0.8729 0.8684 0.8712 0.8748 0.8337 0.8523 0.8428 1.0095 0.8496 0.8422 0.8392 0.9628 0.8438 0.8718 epicatechin Epicatechin 0.4852 0.5045 0.4774 0.4874 0.4733 0.4942 0.4804 0.5037 0.5099 0.4750 0.4704 0.4982 0.4943 0.5056 0.5115 0.4714 0.5048 0.4851 0.5090 0.5068 0.8286 0.5998 0.5763 0.6135 0.5634 0.6787 0.6107 0.5996 0.6006 0.6670 0.5525 0.6150 0.5991 0.5716 0.5878 0.7025 0.7537 0.6276 0.6253 0.5956 0.5682 0.6361 0.5658 0.5680 0.5559 0.5590 0.5608 0.5492 0.5491 0.5608 0.5521 0.5659 0.5411 0.5604 0.5540 0.5662 0.5691 0.5832 0.5528 0.5710 0.4859 0.5098 0.4861 0.4921 0.4586 0.4741 0.4875 0.4823 0.5090 0.5040 0.5634 0.5312 0.5325 0.5357 0.5429 0.5288 0.5430 0.5544 0.6351 0.5384 0.5384 0.5548 0.5344 0.5631 0.5462 0.5357 0.5343 0.5337 0.5457 0.5247 0.6892 0.5642 0.7086 0.7042 0.6388 0.5761 0.5787 0.6278 0.6239 0.7419 0.5701 0.7780 0.6486 0.6468 0.5991 0.5578 0.7085 0.6326 0.5657 0.5852 0.4449 0.5594 0.4423 0.4501 0.4305 0.4886 0.8800 0.4439 0.5797 0.6337 0.6117 0.6192 0.6496 0.5780 0.6102 0.5912 0.5871 0.6739 0.5757 0.6107 0.6606 0.6154 0.6580 0.6416 0.5693 0.5842 0.6594 0.5931 0.6245 0.5511 0.5734 0.7786 0.6073 0.6085 0.6031 0.6557 0.5922 0.5936 epsilon_caprolactam Epsilon-caprolactam 0.8136 0.8149 0.8246 0.8221 0.8176 0.7524 0.8204 0.8174 0.8234 0.8032 0.9062 0.8159 0.7675 0.8240 0.8125 0.8200 0.8062 0.7971 0.8171 0.8130 1.0003 0.8444 0.6730 0.9223 0.6704 1.0336 0.7870 0.8783 0.8811 0.7550 0.8682 0.6945 0.8421 0.8539 0.6074 0.8894 0.8509 0.7656 0.6829 0.5812 0.7769 0.9143 0.7939 0.8264 0.7719 0.8277 0.8174 0.8312 0.8229 0.7861 0.8350 0.8343 0.8130 0.8256 0.8307 0.7834 0.8320 0.7997 0.8321 0.8247 0.6586 0.6940 0.8095 0.7077 0.7931 0.7829 0.6783 0.7085 0.6413 0.6903 0.7751 0.7836 0.7796 0.7756 0.7558 0.7611 0.7604 0.8881 0.8677 0.7907 0.7030 0.7661 0.7984 0.8995 0.7653 0.7429 0.7804 0.7694 0.9011 0.7506 0.5630 0.8640 0.7338 0.7446 0.8702 0.8604 0.8607 0.7795 0.8113 0.8115 0.7223 0.9073 0.7693 0.8578 0.6360 0.8183 0.6990 0.6782 0.8828 0.7032 0.7687 0.7107 0.8715 0.6333 0.7346 0.6649 0.6638 0.8932 0.9761 0.7242 0.7073 1.0183 0.9070 0.8685 0.8686 0.8810 0.8509 0.7597 0.8548 0.7622 0.7308 0.7243 0.7137 0.7432 0.7756 0.8384 0.7560 0.7518 0.7709 0.6701 0.9042 0.8002 0.6803 0.6995 0.8078 0.7769 0.7233 Erythritol Erythritol 1.0302 1.0457 1.0562 1.0496 1.0513 1.0147 1.0495 1.0492 1.0556 1.0395 0.9818 1.0370 1.0108 1.0529 1.0495 1.0460 1.0355 0.9766 1.0641 1.0590 1.0830 0.7911 0.8899 0.9672 0.9020 1.0259 0.8875 0.8935 0.8794 0.8773 0.8981 0.8500 0.8009 0.7817 0.7638 0.9072 0.8154 0.8458 0.8558 0.7872 0.9561 0.7854 0.8277 0.9619 0.9672 0.9530 0.8894 0.9562 0.9536 0.9135 0.9624 0.9448 0.8914 0.9544 0.9487 0.8685 0.8685 0.8732 0.8449 0.9604 1.0196 0.9840 1.0423 1.0269 1.0187 1.0066 1.0556 1.0521 0.9488 1.0422 0.8451 0.8335 0.8353 0.8518 0.8452 0.8479 0.8509 0.8529 0.8057 0.8381 0.8363 0.8304 0.8708 0.8229 0.8529 0.8156 0.8343 0.8532 0.8297 0.8198 0.8178 0.8386 0.8364 0.8351 0.9799 0.8238 0.8232 0.8285 0.8333 0.8720 0.8575 0.9635 0.8192 0.9365 0.7461 0.8302 0.8284 0.8351 0.8707 0.8365 0.6537 0.7574 0.6906 0.6409 0.9520 0.8264 0.9219 0.9699 0.8530 0.8600 1.0120 0.8716 0.8786 0.8951 0.8760 0.9155 0.8660 0.8599 0.9367 0.8086 0.8246 0.7769 0.8389 0.8864 0.8185 0.8402 0.8366 0.9038 0.8454 0.9777 0.8347 0.8614 0.8530 0.8445 0.8347 0.7574 Estradiol_17_Alpha Estradiol-17alpha 0.6316 0.6138 0.6508 0.6360 0.6305 0.6277 0.6136 0.6360 0.6364 0.6246 0.8237 0.6282 0.8307 0.6338 0.6181 0.6015 0.6364 0.6387 0.6262 0.6144 0.9002 0.5985 0.6927 0.7411 0.6910 0.7916 0.6971 0.6928 0.6912 0.7001 0.6736 0.6389 0.5913 0.5676 0.5648 0.8014 0.6522 0.6253 0.6355 0.5845 0.6589 0.6222 0.6707 0.6571 0.6487 0.6415 0.6535 0.6372 0.6395 0.6602 0.6553 0.6434 0.6432 0.6429 0.6382 0.6506 0.6382 0.6590 0.6092 0.6493 0.6036 0.5993 0.6087 0.6033 0.6004 0.6063 0.5981 0.5994 0.5941 0.5982 0.6518 0.6033 0.6227 0.6202 0.6240 0.6252 0.6289 0.6318 0.6260 0.6165 0.5944 0.6301 0.6182 0.6210 0.6433 0.5814 0.6162 0.6323 0.6203 0.5881 0.7032 0.6828 0.6232 0.6591 0.7458 0.6751 0.6825 0.6802 0.6936 0.6692 0.8195 0.6831 0.7356 0.6144 0.6467 0.6682 0.6638 0.6703 0.6744 0.5396 0.7202 0.5324 0.6347 0.5529 0.6735 0.9386 0.5409 0.6880 0.7657 0.6728 0.6817 0.7828 0.6874 0.6953 0.6883 0.6877 0.6787 0.6800 0.7321 0.6479 0.6645 0.6390 0.6320 0.6697 0.6495 0.6805 0.6669 0.6625 0.6424 0.7237 0.6703 0.6717 0.6654 0.7229 0.6611 0.6200 ethanolamine Ethanolamine 0.6572 0.6498 0.8001 0.7943 0.8014 0.8084 0.6483 0.8126 0.8137 0.7836 0.6375 0.7649 0.7688 0.6572 0.6503 0.6536 0.7755 0.7985 0.6464 0.6486 0.7305 0.5489 0.8010 0.8718 0.8089 0.9793 0.8489 0.8653 0.8424 0.5887 0.6142 0.5400 0.5552 0.5366 0.5369 0.6067 0.6099 0.4608 0.5699 0.5419 0.8366 0.5263 0.8067 0.8210 0.8345 0.7018 0.8236 0.7011 0.8082 0.8210 0.7038 0.7103 0.8387 0.8158 0.7019 0.8234 0.6987 0.8107 0.8251 0.8190 0.7973 0.8388 0.8104 0.8136 0.8200 0.8165 0.8146 0.8020 0.8438 0.8159 0.8107 0.8256 0.8342 0.8200 0.8245 0.8253 0.8207 0.8213 0.5234 0.8396 0.6127 0.8311 0.8246 0.8200 0.7346 0.8375 0.8226 0.8328 0.8476 0.6303 0.5957 0.5593 0.5737 0.9930 0.8958 0.8590 0.5747 0.5536 0.6072 0.8592 0.7020 0.5441 0.9254 0.5458 0.8347 0.5737 0.5414 0.8649 0.5886 0.6125 0.5175 0.5975 0.4816 0.7875 0.8299 0.6275 0.8016 0.9548 0.4657 0.5233 0.9906 0.8714 0.8579 0.8544 0.8506 0.6156 0.8615 0.8634 0.9011 0.6428 0.5280 0.5405 0.6088 0.8579 0.5537 0.8635 0.7782 0.8142 0.7840 0.6615 0.7903 0.8409 0.8425 0.5852 0.8136 0.5169 ethanol_phosphate Ethylphosphate 0.6379 0.6879 0.7176 0.7008 0.7037 0.7052 0.6900 0.7119 0.7159 0.6956 0.6193 0.6562 0.7296 0.6908 0.6820 0.6871 0.7013 0.5772 0.6895 0.6739 0.9129 0.6165 0.7369 0.7949 0.7559 0.7199 0.7462 0.6328 0.7678 0.6073 0.6526 0.6458 0.5958 0.6080 0.5648 0.6872 0.5683 0.6651 0.6896 0.6140 0.7172 0.6183 0.9057 0.7979 0.8135 0.7963 0.8089 0.7964 0.7990 0.8154 0.8059 0.7507 0.8167 0.7809 0.7786 0.8004 0.7887 0.8168 0.7792 0.8021 0.6663 0.5345 0.5409 0.5547 0.5415 0.6865 0.5422 0.6894 0.6944 0.6935 0.7631 0.7813 0.7759 0.7866 0.7886 0.7967 0.7880 0.7888 0.7980 0.7876 0.7599 0.7667 0.7958 0.7842 0.7927 0.7929 0.7753 0.7976 0.8042 0.6146 0.6151 0.6790 0.6669 0.6714 0.8765 0.7983 0.8257 0.6823 0.6931 0.7486 0.7588 0.8398 0.6572 0.8307 0.6213 0.7763 0.6983 0.6776 0.7647 0.7857 0.5966 0.5656 0.5875 0.4854 0.6050 0.5023 0.9385 0.5984 0.6007 0.7122 0.6389 0.6392 0.8394 0.7455 0.7601 0.7578 0.7731 0.6150 0.7348 0.7831 0.8397 0.8050 0.6498 0.5912 0.7847 0.7528 0.7346 0.6366 0.7499 0.7481 0.7898 0.6460 0.7928 0.7784 0.7590 0.7093 0.7667 0.5880 Ethyl_3_Ureidopropionate Ethyl 3-(carbamoylamino)propanoate 0.9767 0.9867 1.0151 1.0068 1.0005 0.9782 0.9895 1.0103 0.9669 0.8278 0.9910 0.9668 1.0162 0.9991 0.9622 0.9988 0.7338 0.9875 0.9703 0.9392 0.6570 0.8400 0.8826 0.9541 0.9857 0.8727 0.8624 0.8844 0.7147 0.8139 0.6813 0.6290 0.7364 0.6193 0.7799 0.7368 0.6920 0.6780 0.6288 0.7807 0.7042 0.7344 0.8570 0.7953 0.9241 0.7951 0.9283 0.9004 0.8180 0.9470 0.7853 0.7976 0.7876 0.9101 0.7914 0.8639 0.7905 0.8162 0.7811 0.8093 0.7833 0.8249 0.8177 0.8114 0.8499 0.7584 0.8005 0.8147 0.7826 0.7788 0.6801 0.8177 0.7910 0.8146 0.8244 0.8233 0.7683 0.7372 0.8147 0.8136 0.6682 0.7896 0.6491 0.8168 0.7881 0.6711 0.8174 0.7834 0.8013 0.7514 0.8452 0.7009 0.7080 0.9704 0.8540 0.8508 0.7113 0.7036 0.8237 0.8217 0.8533 0.7098 0.8978 0.6227 0.7486 0.6897 0.7105 0.8493 0.8239 0.7384 0.6492 0.8011 0.5665 0.7017 0.5615 0.8413 0.7976 0.8831 0.9679 0.7289 0.7338 0.9626 0.8564 0.8398 0.8593 0.8730 0.7796 0.8259 0.8387 0.9820 0.7225 0.7155 0.7198 0.8188 0.8584 0.8004 0.8344 0.7979 0.8164 0.8020 0.8189 0.8058 0.8140 0.8118 0.7399 0.7800 0.6852 Ethylmalonate Ethylmalonic acid 1.0451 1.0540 1.0712 1.0606 1.0682 1.0625 1.0598 1.0743 1.0824 1.0515 1.0215 1.0104 1.0607 1.0638 1.0512 1.0484 1.0038 1.0359 1.0505 1.0387 0.9415 0.7346 0.8645 1.0057 1.0255 0.9079 0.8873 0.9245 0.7898 0.7311 0.7928 0.7849 0.7003 0.6851 0.8272 0.6496 0.7486 0.7267 0.7054 1.0513 0.7423 1.0388 1.0492 1.0487 1.0311 1.0462 1.0365 1.0360 1.0522 1.0468 1.0394 1.0503 1.0475 1.0339 1.0506 1.0361 1.0496 0.8955 1.0411 1.0404 1.0369 0.9707 0.9605 0.9330 1.0225 1.0467 0.9623 1.0336 0.9310 1.0366 0.8640 0.8686 1.0230 1.0148 0.9927 1.0210 0.9963 0.7316 0.9987 1.0078 1.0086 1.0328 0.9910 1.0010 0.7560 1.0090 1.0368 0.9865 0.8306 0.7374 0.8550 0.8062 0.7881 0.9326 0.8229 0.8415 0.7459 0.8102 0.8689 0.7954 0.8831 0.7719 0.9445 0.6848 0.7884 0.7536 0.7787 0.8632 0.8120 0.9824 0.7716 0.9817 0.7159 0.9748 0.7320 0.8566 0.9883 0.9200 0.9980 0.7803 0.7133 1.0118 0.8898 1.0106 0.8892 0.9163 0.8375 0.7916 0.8168 0.9980 0.7631 0.8080 0.7786 0.8019 0.8792 0.8380 0.8495 0.9907 0.8618 0.7937 0.9809 0.9962 0.8202 0.8413 0.8230 0.8061 0.7868 Ethylmalonic_acid Ethylmalonic acid 0.6666 0.5536 0.4906 0.5608 0.5589 0.6632 0.5630 0.6785 0.6867 0.6780 0.6665 0.5632 0.6568 0.5803 0.5506 0.5460 0.6704 0.6160 0.5576 0.6850 0.7595 0.5317 0.5318 0.5855 0.5149 0.6438 0.5127 0.5225 0.5043 0.5964 0.5360 0.5393 0.5403 0.5281 0.5069 0.6635 0.5914 0.5586 0.5669 0.5662 0.5723 0.5115 0.5338 0.5362 0.5724 0.5870 0.5676 0.5936 0.5383 0.5480 0.5941 0.5668 0.5512 0.5685 0.5923 0.5719 0.5882 0.5294 0.5677 0.5735 0.6894 0.6805 0.6880 0.6884 0.6837 0.6765 0.6831 0.6808 0.6836 0.6825 0.5433 0.5135 0.5596 0.5297 0.5490 0.5492 0.5118 0.5225 0.5126 0.5303 0.5132 0.5236 0.5297 0.6039 0.5893 0.5907 0.5779 0.6184 0.5947 0.6032 0.5850 0.6104 0.6645 0.5651 0.6961 0.5601 0.5590 0.5436 0.4962 0.5754 0.5678 0.5490 0.5094 0.4022 0.5511 0.4678 0.4552 0.4250 0.4804 0.7293 0.4503 0.5725 0.6291 0.5480 0.5601 0.6513 0.5753 0.5502 0.5576 0.5711 0.6146 0.5144 0.5214 0.6061 0.5321 0.5478 0.5682 0.5399 0.5460 0.5724 0.5385 0.5117 0.5336 0.6668 0.4885 0.5353 0.5307 0.6001 0.5284 0.5445 Ferulic_acid trans-Ferulic acid 0.6348 0.6414 0.6586 0.6649 0.6556 0.6587 0.6435 0.6579 0.6681 0.6575 0.5598 0.6380 0.5728 0.6530 0.6415 0.6184 0.6433 0.6786 0.6389 0.6292 0.9349 0.5640 0.7445 0.7902 0.7280 0.8407 0.7324 0.7525 0.7328 0.7800 0.7298 0.7665 0.4991 0.6122 0.8176 0.7653 0.6952 0.5455 0.6602 0.6593 0.6846 0.6641 0.6660 0.6853 0.6598 0.6687 0.7002 0.6832 0.6547 0.6780 0.6625 0.6599 0.6673 0.6588 0.6870 0.6428 0.6718 0.5997 0.6198 0.6043 0.6033 0.6089 0.6101 0.5969 0.6096 0.6231 0.6063 0.6498 0.6560 0.6607 0.6646 0.6693 0.6730 0.6644 0.6842 0.6673 0.6322 0.6406 0.6444 0.6411 0.6778 0.5965 0.6514 0.6750 0.6548 0.6294 0.7273 0.7634 0.7818 0.7988 0.7167 0.7181 0.7680 0.7831 0.8149 0.7182 0.8703 0.7634 0.8056 0.6252 0.7299 0.7080 0.7570 0.7184 0.7214 0.3305 0.5977 0.3116 0.5562 0.6144 0.6041 0.6018 0.7171 0.8282 0.7751 0.7751 0.8350 0.7458 0.7459 0.7351 0.7454 0.8222 0.7175 0.7344 0.7734 0.7258 0.7665 0.7582 0.7133 0.7292 0.7166 0.7224 0.7021 0.6903 0.7047 0.8240 0.7201 0.7171 0.7139 0.7814 0.7183 0.7469 formononetin Formononetin 0.4284 0.4378 0.5255 0.5023 0.5204 0.4867 0.5194 0.5458 0.5168 0.3625 0.4321 0.3920 0.3417 0.4780 0.3368 0.5327 0.5225 0.4386 0.7043 0.5144 0.4937 0.5264 0.5181 0.6059 0.5606 0.5304 0.5279 0.5785 0.5015 0.5280 0.4617 0.4446 0.5708 0.5079 0.5504 0.4612 0.4276 0.4661 0.4522 0.4394 0.4383 0.4329 0.4260 0.4504 0.4351 0.4403 0.4274 0.4328 0.4446 0.4531 0.4352 0.4450 0.4501 0.4346 0.4423 0.4710 0.4447 0.4252 0.4763 0.4460 0.5284 0.4851 0.4720 0.4602 0.5316 0.4115 0.4116 0.4090 0.4072 0.4172 0.4224 0.4107 0.4143 0.4110 0.6020 0.4804 0.4871 0.5213 0.5307 0.4304 0.4824 0.5286 0.5419 0.5978 0.4812 0.6630 0.5480 0.5277 0.4910 0.4861 0.5447 0.5009 0.4715 0.4682 0.4858 0.9110 0.7031 0.7717 0.7334 0.8084 0.8634 0.7198 0.5038 0.5392 0.5420 0.5367 0.6083 0.4978 0.5181 0.4913 0.5364 0.6090 0.4857 0.5159 0.5510 0.5242 0.5183 0.5198 0.5168 0.4915 0.4617 0.4832 0.4874 0.4872 0.4839 0.5228 0.4538 0.4780 0.4759 0.4835 0.4654 0.4709 Fructose Fructose 0.6568 0.7208 0.7179 0.6361 0.8708 0.6512 0.7092 0.8447 0.6616 0.6542 0.6560 0.6506 0.8183 0.6531 0.6598 0.9397 0.7342 0.7718 0.8729 0.7671 0.9196 0.7637 0.8566 0.8949 0.7148 0.7276 0.7283 0.8614 0.6907 0.8190 0.7385 0.7285 0.7378 0.7225 0.7604 0.7468 0.7460 0.7392 0.7441 0.7513 0.7078 0.7699 0.7524 0.7567 0.7117 0.7561 0.7439 0.7536 0.7608 0.7404 0.7417 0.6028 0.6336 0.6700 0.6436 0.6180 0.6026 0.6509 0.6605 0.6319 0.6558 0.9699 0.8996 0.9216 0.9603 0.9468 0.9513 0.9428 0.7182 0.9228 0.9173 0.8631 0.9570 0.9593 0.9502 0.7382 0.9092 0.9602 0.9528 0.7355 0.7823 0.9329 0.7858 0.7746 0.9518 0.9115 0.7943 0.8257 0.9085 0.7317 0.7598 0.7350 0.8861 0.7661 0.8475 0.6193 1.0258 0.6279 0.6764 0.7470 0.9717 0.7625 0.8634 0.7957 0.8374 0.8161 0.9100 0.7575 0.7621 0.7514 0.8238 0.7589 0.8486 0.7495 0.8110 0.7666 0.8894 0.7540 Fructose_6_phosphate Fructose 6-phosphate 0.5690 0.6069 0.6111 0.6213 0.6192 0.6125 0.6035 0.6178 0.6286 0.6192 0.6322 0.5910 0.6479 0.6020 0.6029 0.5938 0.6437 0.6244 0.6100 0.6003 0.6979 0.7424 0.7006 0.8066 0.6877 0.6939 0.7033 0.4903 0.6747 0.4617 0.5202 0.4497 0.6849 0.6236 0.6986 0.7019 0.6896 0.7049 0.6805 0.7082 0.7205 0.7071 0.6910 0.7012 0.6936 0.6858 0.6849 0.6930 0.7184 0.6614 0.6971 0.5947 0.6163 0.6060 0.6093 0.6120 0.6136 0.5975 0.6065 0.6195 0.6105 0.6544 0.6633 0.6763 0.6831 0.6707 0.6772 0.6793 0.6814 0.6777 0.6528 0.6494 0.6678 0.6662 0.6774 0.5997 0.6610 0.6867 0.6755 0.6445 0.6948 0.4687 0.4656 0.7692 0.6965 0.6753 0.4943 0.6798 0.7638 0.4866 0.5090 0.6889 0.6947 0.4072 0.4225 0.3359 0.4455 0.4023 0.7092 0.7807 0.4983 0.7930 0.7013 0.7204 0.7211 0.7124 0.6703 0.6790 0.7285 0.4485 0.4628 0.4656 0.4724 0.6865 0.4806 0.6835 0.6512 0.6810 0.5204 0.6820 0.7025 0.6750 0.6275 0.4688 Fructose_bisphosphate Fructose 1,6-bisphosphate 0.6904 0.7058 0.7166 0.7136 0.7185 0.7160 0.7087 0.7188 0.7263 0.7021 0.6890 0.7108 0.7190 0.7155 0.7090 0.6993 0.7007 0.7227 0.7121 0.6996 0.8714 0.6164 0.8112 0.8634 0.8171 0.9371 0.8072 0.8077 0.8077 0.6783 0.7973 0.6015 0.5922 0.5975 0.6051 0.7252 0.7365 0.6377 0.6537 0.6003 0.7727 0.5996 0.7495 0.7988 0.6246 0.7880 0.8047 0.7992 0.7905 0.7818 0.8084 0.7661 0.7991 0.6165 0.7913 0.8025 0.7874 0.7915 0.7259 0.7886 0.6807 0.6803 0.6859 0.6862 0.6847 0.6852 0.6752 0.6816 0.6842 0.6785 0.7704 0.7579 0.7772 0.7882 0.7848 0.7876 0.7861 0.7898 0.6281 0.7840 0.7619 0.7570 0.7832 0.7755 0.7931 0.6869 0.7668 0.8010 0.7818 0.7511 0.6790 0.8267 0.7247 0.7283 0.9200 0.8189 0.8191 0.6563 0.6710 0.7611 0.7945 0.8110 0.6066 0.8662 0.6125 0.6582 0.6780 0.6547 0.7938 0.8026 0.5259 0.6363 0.6611 0.5109 0.5673 0.5457 0.8775 0.6581 0.7984 0.9032 0.6007 0.6091 0.9216 0.8132 0.8146 0.8074 0.8122 0.7137 0.7971 0.7888 0.8538 0.6136 0.6321 0.6305 0.6003 0.7990 0.6964 0.7969 0.7701 0.7818 0.6967 0.7832 0.7914 0.8088 0.7803 0.6966 0.7730 0.6012 Fumarate Fumaric acid 0.9305 0.9247 0.9453 0.9378 0.9369 0.9184 0.9332 0.9451 0.9532 0.9302 0.9567 0.9276 0.9265 0.9358 0.9222 0.9177 0.9218 0.9042 0.9264 0.9109 0.7070 0.5325 0.8678 0.9499 0.9104 1.0406 0.9170 0.9303 0.9090 0.5509 0.8860 0.4567 0.5426 0.5184 0.5154 0.5199 0.6009 0.4304 0.5403 0.5335 0.9190 0.5042 0.8924 0.9103 0.9188 0.9104 0.9168 0.9178 0.9051 0.9218 0.9201 0.8987 0.9213 0.8934 0.9039 0.9045 0.8957 0.9119 0.9066 0.9180 0.9482 0.9286 0.9488 0.9500 0.9458 0.9138 0.9646 0.9523 0.8890 0.9554 0.9070 0.9156 0.9101 0.9097 0.9206 0.9163 0.9102 0.9211 0.8176 0.9179 0.9278 0.8927 0.9087 0.8818 0.9095 0.8588 0.9309 0.9168 0.8682 0.9109 0.5953 0.9232 0.5284 0.5749 1.0354 0.9121 0.8607 0.5088 0.5377 0.5383 0.9028 0.6808 0.4639 0.9554 0.5276 0.8524 0.5503 0.4864 0.9102 0.8523 0.7766 0.8355 0.4122 0.8714 0.3584 0.7282 0.8645 0.9136 1.0230 0.4836 0.5141 1.0600 0.9014 0.8796 0.9247 0.9283 0.5480 0.9096 0.8741 0.9907 0.5928 0.5345 0.5227 0.7191 0.9018 0.5157 0.9164 0.8425 0.9095 0.8357 0.5962 0.8537 0.8664 0.8725 0.5129 0.8370 0.5132 Fusaric_acid 0.4429 0.4567 0.4621 0.4637 0.4601 0.4660 0.4589 0.4626 0.4718 0.4619 0.4447 0.4504 0.4661 0.4663 0.4488 0.4334 0.4515 0.4726 0.4591 0.4440 0.8192 0.5413 0.6341 0.6697 0.5905 0.6835 0.5955 0.6020 0.6009 0.6405 0.5833 0.6123 0.5750 0.5277 0.5169 0.6803 0.6133 0.6157 0.5819 0.5367 0.4866 0.5021 0.4509 0.4877 0.4495 0.5048 0.4687 0.4337 0.5083 0.4720 0.4808 0.4501 0.4496 0.4958 0.4516 0.4504 0.5018 0.4829 0.4825 0.4545 0.4601 0.4606 0.4510 0.4762 0.4586 0.4670 0.4541 0.4574 0.4824 0.4702 0.4978 0.4726 0.4913 0.5013 0.5000 0.5061 0.5034 0.5031 0.5056 0.4593 0.4948 0.4773 0.4785 0.5002 0.4497 0.4935 0.5124 0.4967 0.4675 0.6111 0.5783 0.5861 0.6053 0.6311 0.5677 0.5639 0.5945 0.6249 0.6650 0.5742 0.7632 0.6387 0.6400 0.5651 0.5758 0.5830 0.5930 0.5915 0.6228 0.6065 0.6046 0.6046 0.5326 0.6188 0.5497 0.8122 0.4526 0.5973 0.6688 0.6105 0.6100 0.7049 0.6270 0.6051 0.5957 0.6231 0.6927 0.5980 0.5538 0.6425 0.5921 0.6147 0.6071 0.5775 0.5918 0.5519 0.6006 0.5933 0.5842 0.5855 0.6961 0.5955 0.6054 0.5923 0.6585 0.5896 0.5876 GABA gamma-Aminobutyric acid 0.8231 0.8195 0.8420 0.6848 0.8358 0.8495 0.8276 0.8507 0.8575 0.8631 0.8058 0.8370 0.8491 0.8406 0.8223 0.8190 0.8307 0.8306 0.8113 0.8122 0.7932 0.8290 1.0025 0.9353 1.0435 0.9337 0.9106 0.9287 0.9191 0.9173 0.8619 0.8163 0.8207 0.8615 0.7508 0.4458 1.0157 0.9312 0.8203 0.9547 0.8154 0.9422 0.9506 0.9468 0.9348 0.9414 0.9285 0.9409 0.9556 0.9425 0.9373 0.9473 0.9448 0.9307 0.9528 0.9356 0.9499 0.8669 0.9365 0.7857 0.8017 0.5580 0.7878 0.5635 0.7945 0.7805 0.7811 0.8032 0.7896 0.9468 0.9105 0.9119 0.9334 0.9410 0.9215 0.9176 0.9345 0.7709 0.9292 0.8818 0.8264 0.9337 0.9512 0.9483 0.8945 0.8701 0.9259 0.9515 0.9066 0.5347 0.9947 1.0096 0.9883 0.9306 1.0215 1.0199 0.8754 0.6281 0.8692 0.9704 0.5859 0.9276 0.8796 0.9226 0.8436 1.0500 0.7976 0.9336 0.8772 0.9538 1.6135 0.8454 0.9390 1.0221 0.9923 0.9923 1.0408 0.9036 0.8957 0.8976 0.9332 0.8868 0.8917 0.8575 0.9927 0.9910 0.9249 0.8959 0.9357 0.8851 0.9269 0.8910 0.9344 0.8609 0.9351 0.9093 0.9644 0.9380 0.9656 Galactarate Galactaric acid 0.8026 0.8031 0.8188 0.8119 0.8029 0.8004 0.8019 0.8128 0.8302 0.8086 0.7538 0.8258 0.7733 0.8166 0.8025 0.8135 0.8123 0.7880 0.8061 0.8055 1.2746 0.6963 0.8579 0.9279 0.8672 0.9641 0.8540 0.8406 0.8614 0.8131 0.8286 0.8380 0.7012 0.6634 0.6850 1.0924 0.6420 0.8160 0.7911 0.6817 0.9004 0.6172 0.8740 0.8958 0.8988 0.8868 0.8982 0.8861 0.8898 0.9035 0.9006 0.8921 0.8970 0.9008 0.8883 0.9028 0.8892 0.8925 0.8073 0.8926 0.7359 0.7432 0.7377 0.7388 0.7368 0.7418 0.7318 0.7287 0.7468 0.7373 0.8683 0.7995 0.8052 0.8498 0.8353 0.8488 0.8467 0.8212 0.6710 0.8139 0.8011 0.8094 0.8649 0.8138 0.8226 0.7880 0.8134 0.8612 0.8358 0.8126 0.7447 0.8667 0.8537 0.8610 0.9270 0.8586 0.8434 0.8690 0.9107 0.8155 0.9831 0.8524 0.9172 0.7304 0.8526 0.8123 0.8322 0.8207 0.8448 0.7658 0.7815 1.0084 0.7525 0.8141 0.7063 1.0525 0.7897 0.8684 0.9471 0.8849 0.8633 0.9562 0.8475 0.8524 0.8414 0.8590 0.8985 0.8487 0.8454 0.9266 0.8627 0.8379 0.8516 0.8513 0.8280 0.8421 0.8387 0.8631 0.8214 0.8658 0.8733 0.8546 0.8392 1.0136 0.8700 0.8418 Galactitol Galactitol 0.9312 0.9380 0.9302 0.9233 0.9406 0.9432 0.9319 0.9278 0.9258 0.9173 0.9358 0.9392 0.9667 0.9396 0.9373 0.9291 0.9272 0.9606 0.9373 0.9335 1.0749 0.9016 0.9715 1.0422 0.9693 1.1260 0.9894 0.9828 0.9731 0.9179 0.9685 0.9482 0.8794 0.8808 0.9271 0.8108 0.8820 0.9164 0.9604 0.8852 0.9743 0.8876 1.0185 0.9643 0.9282 0.9303 0.9554 0.9500 1.0190 0.9321 0.9307 1.0193 0.9259 0.9197 0.9170 0.9229 0.9228 0.9165 0.9224 0.9156 0.9149 0.9174 0.9121 1.0116 0.9642 0.9688 0.9980 0.9971 1.0024 0.9956 0.9913 0.7351 0.9816 0.9597 0.9680 1.0067 1.0034 0.9972 0.9171 0.9626 1.0125 1.0027 0.9512 0.8775 0.9623 1.0015 0.9102 1.0885 0.9385 0.8194 1.0435 0.9158 0.9599 0.9700 0.9004 1.0694 0.9329 0.9597 0.9588 0.8997 0.9665 0.9394 0.9715 0.9797 0.9646 1.0279 1.1079 1.2444 0.8910 0.9904 1.0925 1.0017 1.0051 1.1021 0.9864 0.9916 0.9785 0.9766 0.9450 0.9818 0.9533 1.0192 0.9616 0.9978 1.0010 0.9616 0.9701 0.9141 0.9747 0.9582 0.9677 0.9544 0.9680 0.9572 0.9619 0.9532 0.9554 0.9544 0.9650 galactonic_acid Galactonic acid 0.6115 0.6577 0.6699 0.6426 0.6728 0.6811 0.6571 0.6720 0.7080 0.6583 0.6289 0.6664 0.6290 0.6937 0.6370 0.6731 0.6297 0.6442 0.6868 0.6533 0.6916 0.4388 0.6079 0.6802 0.6759 0.7695 0.6555 0.6526 0.6116 0.5729 0.5633 0.5924 0.4994 0.5041 0.5382 0.6961 0.4490 0.6415 0.5731 0.4990 0.4835 0.4866 0.5475 0.6120 0.5464 0.5604 0.5338 0.5192 0.5772 0.5633 0.5718 0.4855 0.5518 0.5833 0.7899 0.4900 0.5431 0.6013 0.5219 0.4772 0.6867 0.6455 0.6978 0.7015 0.6728 0.6968 0.6921 0.6538 0.6411 0.6655 0.5238 0.5599 0.5758 0.5936 0.5866 0.5789 0.5956 0.5653 0.5822 0.5805 0.5381 0.5718 0.5673 0.5675 0.5916 0.6122 0.5771 0.5912 0.5805 0.7626 0.5175 0.5070 0.5717 0.6460 0.4992 0.5406 0.5678 0.5421 0.6678 0.7767 0.5432 0.6204 0.4509 0.4963 0.6029 0.5654 0.5547 0.4702 0.4679 0.4471 0.4758 0.3774 0.4596 0.5574 0.6665 0.5613 0.5336 0.6514 0.5734 0.5898 0.6010 0.5718 0.6460 0.6283 0.6189 0.7120 0.4790 0.5523 0.4990 0.4908 0.6374 0.4882 0.6641 0.5400 0.6103 0.5143 0.6049 0.5240 0.5958 0.5891 0.6221 0.5299 0.4997 galactose Galactose 0.8052 0.7373 0.7650 0.7617 0.7559 0.7498 0.7482 0.7693 0.7741 0.7499 0.7344 0.7403 0.7524 0.7332 0.7348 0.7251 0.7411 0.7341 0.7944 0.7203 1.1245 0.7136 0.8255 0.8908 0.8268 0.9199 0.8203 0.8034 0.8317 0.9332 0.8135 0.8966 0.9177 0.9185 0.7449 0.7947 0.9024 0.9044 0.9966 0.9176 0.8498 0.6983 0.8410 0.8474 0.8488 0.8334 0.8439 0.8332 0.8379 0.8451 0.8486 0.8395 0.8525 0.8489 0.8375 0.8503 0.8362 0.8494 0.7830 0.8426 0.6807 0.6947 0.6826 0.6819 0.6855 0.6895 0.6777 0.6747 0.7009 0.7252 0.8225 0.7410 0.7532 0.8107 0.8072 0.8157 0.8094 0.8015 0.6504 0.7863 0.7578 0.7563 0.8210 0.8132 0.7940 0.7944 0.7692 0.8105 0.8087 0.8052 0.6728 0.8389 0.8858 0.9076 0.9093 0.8286 0.8320 0.9101 0.9412 0.8981 0.7878 0.7531 0.9024 0.8980 0.7463 0.8321 1.0037 0.8925 0.7888 0.8211 0.7053 0.7683 0.6966 0.7525 0.7130 0.8320 1.3959 0.6789 0.8381 0.9118 0.8932 0.8911 0.9260 0.8210 0.8299 0.8123 0.8301 0.8605 0.8238 0.8136 0.8896 0.8422 0.8977 0.8831 0.8304 0.7895 0.8411 0.7913 0.8312 0.7884 0.8410 0.9915 0.8403 0.8279 0.8082 0.9110 0.8428 0.8601 Galacturnonate 0.7421 0.7476 0.7441 0.7374 0.7539 0.7414 0.7451 0.7459 0.7495 0.7288 0.7413 0.7444 0.7432 0.7490 0.7463 0.7386 0.7428 0.7440 0.7444 0.7377 0.9578 0.7326 0.7951 0.8470 0.7982 0.9165 0.7955 0.7956 0.7941 0.7900 0.7860 0.8044 0.7102 0.7134 0.7574 0.6345 0.7326 0.8392 0.8318 0.7116 0.7997 0.7367 0.7935 0.7945 0.7969 0.7896 0.7918 0.7918 0.7915 0.7943 0.8029 0.7918 0.7965 0.7940 0.7914 0.7961 0.7923 0.7608 0.7759 0.7911 0.7412 0.7273 0.7401 0.7406 0.7344 0.7396 0.7280 0.7288 0.7287 0.7273 0.7709 0.7682 0.7770 0.7695 0.7758 0.7768 0.7862 0.7766 0.6876 0.7707 0.7718 0.7808 0.7776 0.7664 0.7776 0.7601 0.7690 0.7766 0.7520 0.7665 0.8560 0.7841 0.8302 0.7973 0.8785 0.7836 0.7808 0.8453 0.7527 0.7796 0.8861 0.5934 0.8646 0.7670 0.7813 0.8399 0.7028 0.7843 0.7810 0.5705 0.6489 0.6124 0.6021 0.7071 0.6764 0.8425 0.6292 0.8007 0.8837 0.8131 0.8323 0.9028 0.7939 0.7956 0.7948 0.7941 0.7058 0.7892 0.7837 0.8490 0.7818 0.7048 0.7953 0.7764 0.7827 0.6608 0.7834 0.7771 0.7853 0.7769 0.8686 0.7791 0.7851 0.7788 0.7056 0.7766 0.7937 Gallic_acid Gallic acid 0.4005 0.3891 0.3937 0.4705 0.4104 0.3883 0.3827 0.3789 0.3927 0.3863 0.6975 0.4649 0.5408 0.4037 0.4420 0.4883 0.6323 0.6371 0.4690 0.4253 0.4692 0.6135 0.5459 0.5917 0.5300 0.4647 0.4517 0.4370 0.4371 0.4218 0.4232 0.3705 0.3971 0.3682 0.3690 0.3857 0.3900 0.3783 0.3909 0.4477 0.4774 0.4290 0.5800 0.6226 0.6391 0.4470 0.4350 0.6388 0.6553 0.7242 0.6714 0.6449 0.4460 0.5818 0.5304 0.5857 0.3160 0.5557 0.3113 0.5491 0.3354 0.4747 0.6240 0.3288 0.4736 0.6695 0.6842 0.5426 0.6619 0.4948 0.4903 0.6071 0.6510 0.6283 0.5914 0.5844 0.4085 0.5173 0.6028 0.4532 0.4400 0.6052 0.4352 0.6169 gallocatechin 0.3422 0.3335 0.4744 0.4624 0.3768 0.4554 0.3305 0.4680 0.4259 0.3825 0.4067 0.4641 0.3956 0.6183 0.6587 0.6081 0.6966 0.6038 0.6168 0.6012 0.5980 0.6122 0.5941 0.5232 0.5954 0.5033 0.5168 0.5158 0.5164 0.5030 0.5351 0.5065 0.5054 0.5232 0.5280 0.5064 0.5203 0.5369 0.5194 0.5188 0.5489 0.5231 0.5474 0.4715 0.5002 0.5094 0.5160 0.5106 0.5033 0.5085 0.5142 0.5044 0.4549 0.4777 0.4691 0.5047 0.5271 0.4979 0.5191 0.5050 0.4146 0.5851 0.5686 0.5835 0.6372 0.5718 0.5734 0.5447 0.5536 0.4896 0.6112 0.5863 0.6618 0.5861 0.4559 0.5496 0.5821 0.6140 0.3232 0.5910 0.6774 0.6139 0.6148 0.7070 0.6144 0.6213 0.6079 0.6142 0.6137 0.5964 0.6073 0.6332 0.5876 0.5890 0.5790 0.5707 0.5970 0.5622 0.6008 0.5731 0.5557 0.5795 0.6017 0.6228 0.5898 0.5739 0.5672 gamma_Linolenic_acid gamma-Linolenic acid 0.6704 0.6601 0.6633 0.6615 0.6674 0.6686 0.6609 0.6675 0.6494 0.6675 0.6854 0.6698 0.6515 0.6734 0.6668 0.6748 0.6611 0.6832 0.6705 0.6799 0.8566 0.7342 0.7655 0.8273 0.7684 0.8887 0.7718 0.7736 0.7697 0.8700 0.7708 0.8234 0.7291 0.7375 0.7753 0.7168 0.7028 0.8411 0.8349 0.7350 0.7426 0.7161 0.7744 0.7550 0.7398 0.7451 0.7455 0.7479 0.7432 0.7466 0.7465 0.7407 0.7389 0.7361 0.7519 0.7375 0.7380 0.7509 0.7607 0.7351 0.6664 0.6603 0.6664 0.6676 0.6620 0.6653 0.6582 0.6624 0.6606 0.6608 0.7353 0.7637 0.7708 0.7491 0.7617 0.7498 0.7534 0.7669 0.6422 0.7639 0.7601 0.7686 0.7392 0.7422 0.7616 0.7559 0.7648 0.7434 0.7319 0.7583 0.7477 0.7764 0.8257 0.8593 0.8727 0.7767 0.7817 0.8653 0.6751 0.9583 0.7700 1.0267 0.8235 0.8526 0.7699 0.7697 0.8422 0.8646 0.7729 0.7718 0.6211 0.8494 0.6294 0.6908 0.6174 0.7115 0.9478 0.6330 0.7720 0.8617 0.8103 0.8231 0.8824 0.7759 0.7766 0.7770 0.7733 0.9293 0.7698 0.7730 0.8292 0.7766 0.8280 0.8060 0.7703 0.7691 0.7803 0.7612 0.7668 0.7717 0.7683 0.9945 0.7710 0.7756 0.7731 0.9100 0.7627 0.7945 Gentisic_acid Gentisic acid 0.5949 0.5363 0.5614 0.5394 0.6148 0.5885 0.6184 0.5955 0.6107 0.5497 0.6480 0.6324 0.6051 0.5605 0.6108 0.5444 0.6105 0.5966 0.5807 0.5751 1.0451 0.7647 0.6993 0.7408 0.6811 0.8109 0.7158 0.7086 0.7120 0.8160 0.6791 0.7580 0.7834 0.7376 0.7388 0.9088 1.0076 0.7955 0.8227 0.7479 0.7017 0.7985 0.7265 0.7007 0.7151 0.7233 0.7310 0.7294 0.7113 0.7320 0.6997 0.7001 0.7266 0.7010 0.7111 0.7565 0.7122 0.7616 0.7111 0.7203 0.6038 0.5771 0.5306 0.6257 0.5845 0.5462 0.5956 0.5869 0.5692 0.5585 0.7045 0.6920 0.7163 0.6932 0.7193 0.7285 0.7132 0.6970 0.8039 0.7203 0.7110 0.7212 0.7350 0.7196 0.7387 0.7155 0.7202 0.7183 0.7175 0.6713 0.9284 0.7492 0.9367 0.9441 0.8728 0.7848 0.7870 0.8408 0.8402 0.9946 0.6960 0.9657 0.7860 0.7802 0.7615 0.6891 0.7273 0.7961 0.6840 0.6955 0.3821 0.5705 0.5446 0.4815 0.4720 0.5145 0.8209 0.3811 0.7161 0.7700 0.7707 0.7752 0.8019 0.7086 0.7285 0.7177 0.7119 0.8667 0.6879 0.7094 0.7744 0.7204 0.7739 0.7567 0.6853 0.6954 0.8919 0.6263 0.7200 0.6774 0.6779 0.9482 0.7119 0.7186 0.7037 0.8228 0.7051 0.7124 Gentistic_acid 0.6711 0.6801 0.6902 0.6895 0.6894 0.6903 0.6809 0.6908 0.6998 0.6759 0.7133 0.6809 0.7105 0.6908 0.6746 0.6670 0.6781 0.6937 0.6816 0.6720 0.8775 0.5292 0.7519 0.5060 0.4611 0.5190 0.7531 0.7487 0.7508 0.6818 0.7386 0.6363 0.4368 0.5359 0.7345 0.6306 0.5420 0.4808 0.7400 0.7468 0.5336 0.7374 0.7306 0.7390 0.7252 0.7311 0.7460 0.7462 0.5253 0.7346 0.7268 0.5380 0.5545 0.7269 0.4934 0.7060 0.7361 0.6502 0.6483 0.6524 0.6544 0.6479 0.6507 0.6461 0.6501 0.6453 0.6446 0.7080 0.6798 0.6970 0.6972 0.6973 0.6986 0.4818 0.4561 0.6983 0.6811 0.6076 0.6956 0.6898 0.7163 0.5695 0.6872 0.7106 0.6920 0.6668 0.5102 0.7362 0.6031 0.6127 0.8134 0.7317 0.7288 0.6205 0.6389 0.6970 0.7230 0.6158 0.5514 0.8002 0.5388 0.6815 0.6800 0.5293 0.7275 0.7313 0.5530 0.5596 0.4305 0.5645 0.4148 0.5540 0.7493 0.5313 0.6593 0.5389 0.8409 0.7510 0.7504 0.5079 0.4871 0.6875 0.7392 0.7344 0.7919 0.6572 0.6417 0.6565 0.5658 0.7262 0.6114 0.7367 0.4244 0.7284 0.5598 0.7655 0.7362 0.7332 0.7252 0.6712 0.7287 0.6378 Gluconate Gluconic acid 0.6735 0.6872 0.6827 0.6783 0.6813 0.6924 0.6762 0.6793 0.6871 0.6743 0.6640 0.6827 0.7026 0.6891 0.6835 0.6736 0.6876 0.6989 0.6810 0.6713 0.7692 0.5457 0.7056 0.7446 0.6936 0.8407 0.7418 0.7376 0.6902 0.6655 0.7114 0.7101 0.5522 0.4929 0.5176 0.6898 0.5853 0.6393 0.6171 0.5179 0.5534 0.5649 0.7476 0.6663 0.5801 0.6682 0.5901 0.6713 0.6814 0.8139 0.6849 0.6682 0.7736 0.6003 0.6647 0.7720 0.6953 0.7416 0.6752 0.6208 0.6608 0.6682 0.6649 0.6673 0.6640 0.6694 0.6566 0.6618 0.6623 0.6619 0.7402 0.7075 0.6925 0.7537 0.7383 0.7539 0.7401 0.7271 0.5475 0.7060 0.6941 0.6931 0.7394 0.7531 0.7299 0.6002 0.7082 0.7439 0.7572 0.6662 0.6030 0.7058 0.6973 0.7392 0.8036 0.7039 0.6963 0.6107 0.6853 0.7065 0.7483 0.7336 0.7887 0.5645 0.6656 0.6217 0.6542 0.7073 0.6186 0.6570 0.5895 0.6563 0.6196 0.6187 0.5618 0.7890 0.6700 0.6949 0.8140 0.7610 0.6808 0.8247 0.7283 0.7471 0.7254 0.6966 0.6256 0.7114 0.6945 0.7385 0.6710 0.7325 0.7390 0.6119 0.7215 0.6779 0.7077 0.6616 0.7148 0.6896 0.7583 0.7061 0.6848 0.6535 0.6763 0.6850 0.6440 gluconic_acid_lactone Gluconolactone 0.6839 0.7509 0.7693 0.6879 0.7638 0.7567 0.7314 0.7676 0.7912 0.7592 0.6852 0.7332 0.6855 0.7347 0.7129 0.7260 0.7321 0.7312 0.7214 0.7066 0.8693 0.7416 0.7260 0.7890 0.7533 0.8397 0.6911 0.6776 0.7393 0.7302 0.6826 0.7302 0.6773 0.6887 0.7656 0.5342 0.6385 0.6706 0.7804 0.6863 0.7033 0.7190 0.6573 0.6972 0.6953 0.7006 0.6966 0.6957 0.6955 0.7113 0.7001 0.6940 0.6947 0.6970 0.6943 0.7007 0.7042 0.7062 0.6750 0.6914 0.7198 0.7378 0.7244 0.7303 0.7251 0.7252 0.7113 0.6988 0.7074 0.6747 0.6892 0.6770 0.6519 0.6793 0.6827 0.6846 0.6778 0.6801 0.6867 0.6649 0.6731 0.6560 0.7037 0.6825 0.6924 0.6717 0.6847 0.6659 0.6834 0.6820 0.7104 0.6902 0.7093 0.7360 0.7582 0.6903 0.6734 0.6238 0.7585 0.6617 0.6844 0.7519 0.6791 0.7971 0.7521 0.6860 0.7731 0.7013 0.7202 0.6879 0.5722 0.5552 0.6232 0.5839 0.5490 0.5881 0.8451 0.6244 0.6897 0.7513 0.7340 0.7169 0.8366 0.7094 0.6917 0.6677 0.7372 0.7108 0.7306 0.7175 0.7811 0.6768 0.6217 0.7115 0.6759 0.7206 0.6696 0.6839 0.6812 0.6958 0.6997 0.6075 0.6915 0.6989 0.6743 0.6887 0.6808 0.7059 Gluconolactone Gluconolactone 1.0917 1.1001 1.1117 1.0136 1.1126 1.1096 1.1085 1.1190 1.1224 0.9997 1.0789 0.9681 1.1091 1.1031 1.0970 0.9511 1.0995 1.1012 1.0972 0.9427 1.2648 0.9663 0.9901 1.0628 1.0484 1.1158 0.9818 0.9676 0.9934 1.1033 0.9673 1.0684 0.9718 0.9807 0.9921 0.9857 1.1053 1.0634 1.0657 0.9810 1.0670 0.8770 1.0274 1.0640 1.0313 1.0162 1.0294 1.0488 1.0527 1.0677 0.9785 1.0563 1.0658 1.0196 1.0499 1.0337 1.0258 1.0681 1.0409 1.0559 1.0702 1.0795 1.0730 1.0723 1.0730 1.0794 1.0744 1.0694 1.0772 1.0675 1.0527 0.9493 0.9527 1.0426 1.0404 1.0051 0.9965 0.9840 0.8283 0.9708 1.0379 1.0367 1.0103 0.9984 1.0477 0.9421 1.0369 1.0167 1.0156 0.9546 1.0091 1.0486 1.0553 1.0849 1.0886 0.9774 1.0431 1.0658 1.1057 1.0684 0.9424 1.1568 1.0612 1.0676 0.9959 0.9876 1.0853 1.0543 0.9464 0.9741 1.0485 0.9965 1.0444 1.1428 1.0662 1.1074 1.7547 1.0534 0.9953 1.0900 1.0727 1.0631 1.1122 0.9786 0.9976 0.9676 0.9927 1.1037 0.9925 0.9727 1.1247 1.0008 1.0626 1.0597 0.9882 1.0371 0.9983 0.9717 0.9855 0.9586 0.9947 1.1158 0.9993 0.9738 0.9550 1.0883 1.0488 1.0099 glucose Glucose 0.9582 0.9652 0.9059 0.9785 0.9830 0.9850 0.9763 0.9903 1.0083 0.9847 0.9551 0.9727 0.9792 0.9751 0.9640 0.9640 0.9716 0.9688 0.9600 0.9546 1.2655 1.0193 0.9223 0.9819 0.9231 1.0455 0.9187 0.9087 0.9227 1.0349 0.9184 1.0014 1.0219 1.0202 1.0531 0.9142 1.0273 0.9962 1.1137 1.0177 0.9535 1.0239 0.9661 0.9465 0.9424 0.9325 0.9368 0.9351 0.9376 0.9504 0.9462 0.9419 0.9424 0.9510 0.9354 0.9501 0.9394 0.9471 0.9163 0.9405 0.9920 0.9965 0.9946 0.9928 0.9905 0.9971 0.9952 0.9823 0.9941 0.9824 0.9509 0.8884 0.8870 0.9379 0.9328 0.9403 0.9033 0.8874 0.9949 0.8884 0.9075 0.9059 0.9274 0.9374 0.9347 0.9247 0.9046 0.9479 0.9483 0.9124 1.0302 0.9309 0.9855 1.0279 1.0330 0.9228 0.8883 0.9969 0.8657 0.9985 0.9094 1.0684 0.9891 1.0101 0.9215 0.9233 1.1156 0.9874 0.9047 0.9156 0.7982 0.8861 0.9241 1.0045 0.7961 0.8148 1.3933 0.9335 0.9319 1.0143 0.9946 0.9903 1.0433 0.9177 0.9268 0.9160 0.9176 1.0351 0.9005 0.9116 0.9745 0.9385 0.9924 0.8817 0.9244 0.9038 0.9322 0.9115 0.9179 0.9090 0.9315 1.1154 0.9330 0.9239 0.9122 1.0182 0.9344 0.9604 Glucose_1_phosphate Glucose 1-phosphate 0.7518 0.7676 0.8038 0.8032 0.7470 0.9847 0.7877 0.8926 0.7650 0.7891 0.8722 0.8599 0.9555 0.7703 0.7757 0.7803 0.7534 0.8585 0.7648 0.7812 1.0051 0.7439 0.7863 0.7986 0.8228 0.8278 0.6859 0.7986 0.7880 0.7975 0.7641 0.8244 0.7258 0.7349 0.7463 0.8313 0.7584 0.8210 0.7610 0.7394 0.7861 0.7329 0.8287 0.8119 0.8106 0.8087 0.8187 0.8177 0.7914 0.8308 0.7948 0.8040 0.8034 0.8068 0.8069 0.8093 0.7933 0.7706 0.8110 0.7628 0.7223 0.7609 0.7616 0.7583 0.7614 0.7576 0.7575 0.7234 0.7547 0.9692 0.9169 0.9215 0.9598 0.9587 0.9430 0.7300 0.9357 0.9185 0.8378 0.9585 0.9502 0.7497 0.9289 0.9703 0.7808 0.7951 0.7939 0.8686 0.7780 0.7737 0.7968 0.7946 0.8693 0.5832 0.8797 0.8794 0.7453 0.7648 0.7626 0.8637 0.7650 0.7876 0.9039 0.6878 0.9461 1.1833 0.6170 0.7747 0.8391 0.7036 0.7809 0.8891 0.7329 0.7856 0.8124 0.8627 0.7202 0.7781 0.8462 0.7485 0.9021 0.6203 0.7587 0.6626 0.7513 0.9329 0.7629 0.7679 0.8966 0.7603 0.7741 0.7779 0.9035 0.7666 0.8003 Glucose_6_phosphate Glucose 6-phosphate 0.8902 0.8958 0.9117 0.6436 0.9071 0.9094 0.9016 0.9158 0.9243 0.8980 0.8006 0.9016 0.8117 0.9080 0.8953 0.8910 0.8970 0.9016 0.8968 0.8863 1.0330 0.5440 0.9646 1.0364 0.9681 1.1034 0.9663 0.9589 0.9615 0.7727 0.9564 0.6589 0.5498 0.4669 0.6889 0.9275 0.7320 0.7008 0.5079 0.9737 0.9616 0.9557 0.9554 0.9398 0.9552 0.9432 0.9494 0.9664 0.9626 0.9485 0.9603 0.9517 0.9388 0.9591 0.9502 0.9646 0.9281 0.9515 0.8859 0.8985 0.8881 0.8896 0.8871 0.8951 0.8822 0.8856 0.8893 0.8760 0.9329 0.9121 0.9188 0.9300 0.9285 0.9362 0.9208 0.9281 0.6115 0.9253 0.9105 0.9157 0.9237 0.9279 0.9376 0.8630 0.9184 0.9423 0.9241 0.9058 0.7274 0.9398 0.6819 0.6445 1.0502 0.9367 0.6258 0.6713 0.7042 0.6851 0.9410 0.7819 0.6884 1.0426 0.7342 0.8405 0.8238 0.7434 0.9415 0.6650 0.8567 0.5278 0.8442 0.6217 0.8691 0.4463 0.8579 0.9689 1.0791 0.7960 0.7654 1.0918 0.9782 0.9746 0.9601 0.9733 0.7645 0.9469 0.9365 1.0178 0.8353 0.7137 0.7960 0.8251 0.9465 0.7556 0.9414 0.6662 0.9433 0.8699 0.7922 0.9500 0.9469 0.9398 0.8272 0.9286 0.7590 glutamic_acid Glutamic acid 0.7888 0.7912 0.7925 0.7915 0.7875 0.7278 0.7886 0.7720 0.7700 0.7907 0.7286 0.7808 0.7435 0.7978 0.7958 0.8012 0.7731 0.6539 0.7926 0.8103 0.4190 0.8027 0.8461 0.8520 0.9483 0.8366 0.8552 0.8257 0.8239 0.3801 0.3854 0.4470 0.4093 0.8272 0.6080 0.8413 0.8330 0.8484 0.8399 0.8524 0.8382 0.8252 0.8550 0.8304 0.8343 0.8368 0.8482 0.8327 0.8457 0.8318 0.8370 0.8349 0.7951 0.7852 0.8068 0.8033 0.7973 0.7968 0.8055 0.8001 0.7518 0.8015 0.8095 0.6888 0.6228 0.7684 0.7461 0.8035 0.7632 0.7180 0.4605 0.7487 0.7980 0.6832 0.7925 0.7702 0.8015 0.4792 0.6674 0.7746 0.6469 0.7679 0.4927 0.7807 0.9024 0.7938 0.6851 0.8145 0.5565 0.8613 0.4843 0.8218 0.7621 0.6541 0.6996 0.6803 0.7439 0.8489 0.9350 0.9649 0.8294 0.8051 0.8372 0.8537 0.8344 0.7673 0.8933 0.4443 0.4370 0.7963 0.8381 0.6092 0.7500 0.4524 0.5375 0.6881 0.7595 0.7190 0.6952 0.4506 Glutamine Glutamine 0.7083 0.7163 0.7130 0.7062 0.7263 0.7194 0.7082 0.7255 0.7352 0.7658 0.7024 0.7161 0.7175 0.7261 0.7073 0.6976 0.7155 0.7226 0.7121 0.7006 0.7843 0.5255 0.6502 0.6871 0.6911 0.7878 0.6762 0.6710 0.6596 0.6586 0.6335 0.5537 0.5349 0.5394 0.5350 0.6769 0.5899 0.6107 0.5874 0.5078 0.7381 0.6816 0.7075 0.6458 0.7018 0.6841 0.7014 0.7129 0.7244 0.7103 0.7082 0.6931 0.6606 0.7016 0.7035 0.7102 0.7046 0.6646 0.7159 0.6828 0.6842 0.6929 0.6912 0.6811 0.6941 0.6826 0.6786 0.6790 0.6879 0.6814 0.6790 0.6906 0.6969 0.7045 0.6994 0.6885 0.6965 0.5710 0.6459 0.6639 0.6407 0.7051 0.6837 0.6455 0.6068 0.6839 0.6959 0.6764 0.6426 0.6003 0.7015 0.5799 0.7876 0.7337 0.7126 0.6371 0.6397 0.6966 0.6641 0.6498 0.7629 0.6440 0.6919 0.5523 0.6047 0.6012 0.6669 0.6428 0.6533 0.6469 0.5721 0.6573 0.5335 0.6145 0.4872 0.7794 0.5572 0.6642 0.7128 0.6602 0.6299 0.7284 0.6508 0.6456 0.6510 0.6752 0.6820 0.6645 0.6503 0.7488 0.5920 0.6190 0.5685 0.5704 0.6725 0.5836 0.6784 0.6196 0.6570 0.6119 0.6358 0.6486 0.6326 0.6512 0.6477 0.5673 Glutarate Glutaric acid 0.7727 0.7875 0.7933 0.7768 0.7876 0.6930 0.7862 0.5828 0.6855 0.5750 0.7212 0.6840 0.7039 0.5834 0.7761 0.7781 0.6843 0.7161 0.6026 0.7757 0.7258 0.5798 0.6462 0.6894 0.6614 0.7556 0.6668 0.6594 0.6616 0.5813 0.6530 0.5659 0.5863 0.5854 0.5394 0.7657 0.5763 0.5667 0.7318 0.5851 0.7322 0.5618 0.7612 0.7357 0.7191 0.7183 0.7144 0.7754 0.7124 0.7330 0.7824 0.7185 0.6945 0.6895 0.7298 0.7251 0.7768 0.6478 0.6602 0.7116 0.7205 0.6228 0.7161 0.7139 0.7171 0.7151 0.7151 0.7122 0.7216 0.6255 0.7208 0.6494 0.6418 0.7343 0.7331 0.7294 0.7333 0.7292 0.5445 0.6174 0.6568 0.7608 0.7273 0.7329 0.7348 0.6284 0.7505 0.7296 0.7265 0.6519 0.6394 0.6761 0.6591 0.6737 0.7404 0.6577 0.6621 0.6807 0.6641 0.7427 0.6474 0.6785 0.5268 0.7174 0.5329 0.6447 0.6092 0.5852 0.6538 0.6416 0.6257 0.5339 0.6006 0.6193 0.6099 0.5226 0.9337 0.6271 0.6735 0.7408 0.6102 0.5856 0.7532 0.6648 0.6657 0.6543 0.6683 0.5871 0.6587 0.6550 0.7142 0.5563 0.5916 0.5633 0.6498 0.6625 0.6295 0.6589 0.6376 0.6621 0.6363 0.7053 0.6414 0.6533 0.6497 0.6501 0.6430 0.5955 Glutarylcarnitine CAR DC5:0 0.7622 0.7828 0.7954 0.8037 0.7888 0.7638 0.7805 0.7651 0.7823 0.7911 0.7739 0.7574 0.7651 0.7995 0.7869 0.7859 0.7785 0.8641 0.7805 0.7735 1.0639 0.6855 0.7283 0.7695 0.7325 0.8431 0.7288 0.7432 0.7343 0.7992 0.7260 0.7248 0.7175 0.6870 0.7266 0.8570 0.7120 0.7414 0.7554 0.6819 0.8213 0.7091 0.7832 0.8243 0.8207 0.8219 0.8114 0.8329 0.8098 0.7933 0.8302 0.8248 0.7797 0.8155 0.8232 0.8224 0.8199 0.7928 0.7547 0.8191 0.8271 0.8145 0.8208 0.8242 0.8223 0.8061 0.8230 0.8208 0.7509 0.8237 0.7781 0.7439 0.7264 0.7609 0.7514 0.7650 0.7755 0.7618 0.7640 0.7536 0.7258 0.7377 0.7664 0.7089 0.7234 0.7206 0.7474 0.7540 0.7572 0.7534 0.6729 0.7038 0.7080 0.7198 0.8078 0.7237 0.7238 0.7311 0.7259 0.7972 0.7310 0.9296 0.7178 0.7916 0.6897 0.7286 0.7771 0.7675 0.7317 0.7050 0.6487 0.6273 0.6421 0.5903 0.6651 0.5848 0.8602 0.6366 0.7356 0.7952 0.7397 0.7338 0.8198 0.7262 0.7710 0.7241 0.7531 0.8069 0.7691 0.7323 0.7831 0.7254 0.7256 0.7509 0.7428 0.7194 0.7099 0.7299 0.7236 0.7318 0.7147 0.9388 0.7188 0.7199 0.7312 0.7779 0.7357 0.7226 Glyceraldehyde_3_phosphate Glyceraldehyde 3-phosphate 0.6443 0.5516 0.5576 0.5552 0.5626 0.5419 0.5861 0.5588 0.5460 0.5740 0.5829 0.5675 0.5905 0.5701 0.5225 0.5594 0.5910 0.5582 0.5544 0.8934 0.5760 0.5992 0.6955 0.6168 0.6970 0.5847 0.5620 0.6309 0.6674 0.5544 0.6184 0.5545 0.5729 0.5765 0.7330 0.6200 0.6327 0.6320 0.5712 0.6212 0.5505 0.5847 0.6341 0.6090 0.6381 0.6211 0.5990 0.6361 0.6254 0.6469 0.6094 0.6004 0.6085 0.6038 0.5945 0.6316 0.6269 0.5855 0.6321 0.4979 0.5155 0.4813 0.5218 0.5162 0.5232 0.4881 0.5143 0.5203 0.5243 0.6046 0.5891 0.5646 0.6004 0.6066 0.5296 0.5681 0.5917 0.5889 0.5819 0.6821 0.5804 0.5342 0.6410 0.6183 0.6490 0.6759 0.6785 0.6000 0.5300 0.6556 0.6612 0.7609 0.5558 0.7488 0.6041 0.6658 0.5734 0.5754 0.6096 0.6293 0.5701 0.5267 0.5920 0.7791 0.5901 0.6438 0.6070 0.6000 0.6593 0.5534 0.5598 0.6016 0.5826 0.6983 0.5980 0.5583 0.6835 0.6009 0.6104 0.5973 0.6212 0.5735 0.6255 0.5672 0.6358 0.5701 0.6568 0.7799 0.6618 0.6068 0.6133 0.7134 0.6766 0.6273 Glycerate Glyceric acid 0.7181 0.7122 0.7324 0.7105 0.7198 0.6782 0.7258 0.7049 0.7287 0.7191 0.5959 0.7162 0.5800 0.7226 0.7124 0.7329 0.7232 0.6522 0.7298 0.7016 0.6896 0.7124 0.7162 0.7838 0.6931 0.6827 0.7107 0.6023 0.6776 0.5951 0.4187 0.5220 0.5940 0.5630 0.8028 0.7101 0.8044 0.8013 0.8076 0.8002 0.8132 0.8004 0.7973 0.8107 0.8062 0.7942 0.7954 0.7980 0.7919 0.8097 0.7547 0.6711 0.7963 0.6863 0.6598 0.6756 0.6772 0.6954 0.6777 0.6777 0.6836 0.6840 0.6672 0.6252 0.5163 0.5633 0.6303 0.5948 0.6279 0.5959 0.5751 0.6256 0.4983 0.5444 0.6333 0.5907 0.6006 0.5266 0.5232 0.6117 0.5629 0.5639 0.6265 0.5834 0.5216 0.6571 0.6175 0.5904 0.5688 0.5547 0.5537 0.4735 0.6018 0.5810 0.5088 0.5728 0.5796 0.6561 0.6625 0.5202 0.6260 0.4465 0.6241 0.7164 0.7749 0.6726 0.6411 0.7790 0.6794 0.6777 0.6861 0.7087 0.6084 0.5768 0.5414 0.6764 0.5868 0.4154 0.5236 0.5993 0.5943 0.5685 0.5892 0.5937 0.5752 0.5867 0.4236 0.5982 0.6181 0.5812 0.6101 0.5758 Glyceric_acid Glyceric acid 0.7609 0.8116 0.8220 0.8170 0.8194 0.7748 0.8116 0.5954 0.6197 0.7795 0.7799 0.5854 0.7745 0.8220 0.5966 0.8091 0.8121 0.8535 0.8142 0.8059 0.7733 0.5807 0.7778 0.8385 0.7765 0.9076 0.7862 0.7987 0.7789 0.5922 0.7746 0.5615 0.5913 0.5570 0.5398 0.6464 0.6250 0.5589 0.5672 0.5636 0.5461 0.6216 0.8151 0.8162 0.8190 0.7905 0.7702 0.6282 0.8130 0.7741 0.8154 0.7697 0.8025 0.7750 0.7912 0.6277 0.8034 0.7915 0.8016 0.8027 0.7979 0.7930 0.7991 0.7966 0.7926 0.7950 0.7353 0.7574 0.7545 0.7387 0.7454 0.7519 0.7506 0.7452 0.6937 0.7471 0.7571 0.7683 0.7415 0.7492 0.7541 0.7542 0.7603 0.7376 0.7436 0.7496 0.6588 0.7579 0.5923 0.6006 0.8785 0.7714 0.7680 0.5960 0.6040 0.6381 0.7668 0.7106 0.5474 0.8622 0.5787 0.7699 0.5902 0.5978 0.7800 0.7781 0.5543 0.5490 0.6711 0.4578 0.5536 0.4797 0.8342 0.5532 0.7774 0.8663 0.6072 0.5814 0.8946 0.7865 0.7849 0.7901 0.7836 0.6307 0.7633 0.7760 0.8311 0.6716 0.5655 0.5812 0.7422 0.7792 0.6922 0.7506 0.7654 0.7798 0.7692 0.7068 0.7645 0.7784 0.7781 0.6147 0.7644 0.5713 Glycerol Glycerol 0.9126 0.9231 0.9395 0.9264 0.9244 0.9050 0.9171 0.9253 0.9377 0.9173 0.8290 0.9183 0.8976 0.9292 0.9157 0.9212 0.9239 0.9071 0.9190 0.9065 1.1864 0.6550 0.8306 0.8573 0.8526 0.9862 0.8443 0.8597 0.8352 0.9058 0.8193 0.8521 0.6681 0.6494 0.6320 0.9557 0.6413 0.8672 0.8948 0.6504 0.9417 0.6959 0.7917 0.9436 0.9410 0.9414 0.9403 0.9468 0.9434 0.9424 0.9540 0.9409 0.9420 0.9423 0.9417 0.9440 0.9434 0.9338 0.8781 0.9447 0.8874 0.8302 0.8941 0.8960 0.8951 0.8808 0.8764 0.8797 0.8776 0.8735 0.9078 0.7872 0.8488 0.8972 0.9009 0.8584 0.8276 0.7246 0.8552 0.8408 0.8623 0.9110 0.8468 0.8469 0.8195 0.8686 0.9111 0.8331 0.7993 0.6520 0.8077 0.8424 0.8501 0.9111 0.7890 0.8077 0.8459 0.8030 0.8752 0.8043 1.0518 0.7982 0.8774 0.5886 0.7838 0.7317 0.8739 0.8197 0.8208 0.8256 0.7730 0.7564 0.7564 0.7636 0.7361 1.1186 0.8325 0.8232 0.9028 0.8520 0.8639 0.9618 0.8509 0.8393 0.8209 0.8463 0.9352 0.8411 0.8324 0.8976 0.8254 0.8284 0.8354 0.7972 0.8366 0.8150 0.8299 0.7527 0.8143 0.8156 1.0225 0.8186 0.7817 0.7121 0.9275 0.8160 0.8276 Glycerol_2_phosphate sn-Glycero-2-phosphate 0.6904 0.7058 0.7166 0.7136 0.7185 0.7160 0.7087 0.7188 0.7263 0.7021 0.6890 0.7108 0.7190 0.7155 0.7090 0.6993 0.7007 0.7227 0.7111 0.6996 0.8714 0.6112 0.8112 0.8634 0.8171 0.9371 0.8072 0.8077 0.8077 0.6783 0.7973 0.6015 0.5922 0.5887 0.6051 0.7252 0.7365 0.6377 0.6537 0.5823 0.7727 0.5996 0.7495 0.7988 0.8013 0.7880 0.8047 0.7992 0.7905 0.7818 0.8084 0.7661 0.7991 0.7805 0.7913 0.8025 0.7874 0.7915 0.7259 0.7886 0.6807 0.6803 0.6859 0.6862 0.6847 0.6851 0.6752 0.6816 0.6841 0.6785 0.7704 0.7579 0.7772 0.7882 0.7848 0.7876 0.7861 0.7898 0.6281 0.7840 0.7619 0.7570 0.7832 0.7755 0.7931 0.6869 0.7668 0.8010 0.7818 0.7511 0.6790 0.8267 0.7247 0.7283 0.9200 0.8189 0.8191 0.6563 0.6710 0.7374 0.7945 0.8042 0.6118 0.8662 0.6125 0.6582 0.6688 0.6547 0.7938 0.8026 0.6567 0.6363 0.6618 0.5109 0.6881 0.5358 0.8733 0.6581 0.7984 0.9032 0.6007 0.6037 0.9216 0.8132 0.8146 0.8074 0.8122 0.7137 0.7971 0.7888 0.8538 0.6136 0.6321 0.6305 0.6003 0.7990 0.6964 0.7969 0.7701 0.7818 0.6967 0.7727 0.7914 0.8088 0.7803 0.6966 0.7730 0.6012 glycerol_3_galactoside Galactosylglycerol 0.6566 0.6696 0.6895 0.6921 0.6818 0.6756 0.6705 0.6843 0.6971 0.6798 0.6647 0.6638 0.6821 0.6865 0.6663 0.6471 0.6664 0.6938 0.6695 0.6577 0.8115 0.5327 0.6102 0.6698 0.6483 0.7401 0.6230 0.6482 0.6216 0.7113 0.5728 0.6861 0.5633 0.5173 0.5267 0.6704 0.5735 0.6903 0.6392 0.5503 0.5580 0.5609 0.5568 0.5411 0.6251 0.5671 0.5614 0.5830 0.5738 0.5809 0.5972 0.5238 0.5681 0.5578 0.5570 0.5712 0.5678 0.5672 0.5428 0.5562 0.5660 0.5675 0.6526 0.6526 0.6487 0.6593 0.5588 0.5545 0.6045 0.6543 0.5728 0.5263 0.6248 0.6178 0.5574 0.5165 0.5555 0.5662 0.5266 0.5348 0.5289 0.5400 0.5479 0.5375 0.5704 0.5199 0.5395 0.5651 0.5578 0.5251 0.6079 0.6237 0.6504 0.6959 0.6898 0.6184 0.6227 0.6547 0.6692 0.6986 0.6590 0.8069 0.6907 0.7254 0.5981 0.6594 0.6602 0.7002 0.5765 0.5874 0.5975 0.6784 0.5947 0.4388 0.6153 0.6160 0.6519 0.4628 0.5706 0.6369 0.6921 0.6908 0.6779 0.6698 0.6656 0.5901 0.5911 0.7465 0.6614 0.6143 0.6483 0.6585 0.6922 0.6769 0.6477 0.5925 0.6167 0.6340 0.6547 0.5566 0.5558 0.7767 0.6632 0.5706 0.5485 0.7275 0.6554 0.6714 Glycerol_3_phosphate sn-Glycero-3-phosphate 0.6264 0.7439 0.7515 0.7315 0.7426 0.7402 0.7359 0.7386 0.7344 0.6471 0.7007 0.6749 0.7423 0.7127 0.6237 0.7247 0.7356 0.7368 0.7432 0.7329 0.7819 0.5752 0.7354 0.8320 0.7645 0.7730 0.6775 0.7555 0.7521 0.6887 0.6895 0.5843 0.6099 0.5857 0.5810 0.6688 0.6543 0.5798 0.6149 0.6241 0.7214 0.6142 0.6800 0.8235 0.8405 0.8324 0.8476 0.8434 0.8471 0.8581 0.8600 0.7707 0.8547 0.8036 0.8078 0.8246 0.8227 0.8423 0.7832 0.8581 0.6380 0.6621 0.6467 0.6473 0.6062 0.6533 0.5965 0.6495 0.6729 0.6564 0.7300 0.7959 0.6386 0.7855 0.7928 0.8065 0.8003 0.8035 0.7005 0.7975 0.8120 0.7524 0.8117 0.7751 0.7986 0.8093 0.7751 0.7985 0.7587 0.8119 0.6254 0.8467 0.6063 0.6235 0.8842 0.8413 0.8130 0.6122 0.6401 0.6584 0.7289 0.7215 0.6699 0.7943 0.5897 0.8107 0.6647 0.6423 0.7148 0.7872 0.5500 0.6463 0.5716 0.4903 0.5937 0.5004 0.8758 0.5744 0.6318 0.8445 0.6849 0.6501 0.8698 0.7525 0.6648 0.6562 0.6587 0.6783 0.6677 0.7771 0.7266 0.6504 0.6440 0.6023 0.6439 0.6634 0.6054 0.7514 0.6469 0.6353 0.7350 0.7052 0.6657 0.7248 0.7317 0.6532 0.7839 0.6024 glycerol_alpha_phosphate sn-Glycero-3-phosphate 0.6366 0.7440 0.7497 0.7287 0.7436 0.7402 0.7308 0.7386 0.7300 0.7224 0.7007 0.6751 0.7423 0.7127 0.7150 0.7247 0.7356 0.7368 0.7433 0.7329 0.7819 0.6244 0.7374 0.8320 0.7645 0.8630 0.7283 0.7555 0.7553 0.6910 0.6895 0.5846 0.6188 0.6265 0.6080 0.6688 0.6765 0.5792 0.6149 0.6241 0.7216 0.6142 0.8101 0.8235 0.8401 0.8315 0.8476 0.8435 0.8471 0.8583 0.8593 0.7708 0.8547 0.8036 0.8078 0.8246 0.8218 0.8417 0.7835 0.8581 0.6380 0.6621 0.6467 0.6473 0.6437 0.6533 0.6516 0.6495 0.6729 0.6564 0.7302 0.7960 0.7802 0.7857 0.7930 0.8066 0.8005 0.8037 0.7180 0.7975 0.8121 0.7528 0.8118 0.7751 0.7990 0.8094 0.7751 0.7986 0.7588 0.8118 0.6778 0.8465 0.7336 0.6581 0.8843 0.8413 0.8135 0.6114 0.6583 0.7054 0.7289 0.7215 0.6701 0.7943 0.5897 0.8107 0.6387 0.6423 0.7177 0.7872 0.5871 0.6617 0.5685 0.4952 0.5460 0.5342 0.8252 0.5548 0.7412 0.8477 0.6864 0.6752 0.8723 0.7521 0.7841 0.7586 0.7575 0.6878 0.6839 0.7774 0.7763 0.6586 0.6582 0.6183 0.6520 0.7037 0.6556 0.7514 0.6453 0.6638 0.7374 0.7052 0.6630 0.7267 0.7317 0.6736 0.7841 0.6133 Glycine Glycine 0.7957 0.8074 0.8210 0.8199 0.8144 0.7928 0.8137 0.8121 0.8173 0.8095 0.8027 0.7993 0.7910 0.8159 0.8060 0.8101 0.8008 0.7794 0.8115 0.8047 0.2979 0.7875 0.7869 0.7957 0.9804 0.8562 0.8652 0.8598 0.8343 0.5330 0.3006 0.8778 0.7406 0.8811 0.8677 0.8748 0.8608 0.8814 0.8721 0.8668 0.8829 0.8768 0.8590 0.8707 0.8758 0.8623 0.8796 0.7544 0.8647 0.8626 0.8194 0.8035 0.8186 0.8192 0.8116 0.8075 0.8126 0.8131 0.8042 0.8088 0.8204 0.8458 0.8359 0.8469 0.8283 0.8446 0.8484 0.8281 0.7642 0.8175 0.8416 0.8526 0.8386 0.8381 0.8381 0.6554 0.8501 0.8330 0.8177 0.8163 0.3534 0.8056 0.9605 0.8331 0.7380 0.4165 0.8354 0.9433 0.7410 0.8561 0.8356 0.7328 0.7493 0.7028 0.7530 0.8546 0.9551 0.3653 0.9752 0.8595 0.7635 0.8652 0.8693 0.8349 0.8246 0.9284 0.4092 0.4030 0.8412 0.4367 0.8312 0.7600 0.7706 0.5936 0.7116 0.8272 0.7970 0.7600 Glycolic_acid Glycolic acid 0.7069 0.8065 0.9244 0.7957 0.8993 0.8136 0.7987 0.8797 0.9033 0.7974 0.8621 0.8921 0.8472 0.7997 0.8996 0.8128 0.9000 0.8791 0.8912 0.7848 1.0413 0.7820 0.7480 0.8077 0.8556 0.9016 0.7864 0.7834 0.7219 0.8139 0.7467 0.7391 0.8169 0.7481 0.7402 0.9055 0.6532 0.7735 0.8368 0.7585 0.8410 0.8278 0.8158 0.6159 0.7870 0.6879 0.7330 0.6391 0.7579 0.6851 0.6541 0.7398 0.7663 0.7175 0.8161 0.7389 0.8262 0.8242 0.8270 0.8289 0.8236 0.8152 0.8244 0.8230 0.8282 0.8257 0.7561 0.7912 0.7789 0.8855 0.8730 0.8932 0.8853 0.8013 0.8275 0.7886 0.7666 0.7839 0.7676 0.8859 0.8860 0.7341 0.7844 0.9071 0.7923 0.7587 0.9584 0.7437 0.9019 0.9100 0.8795 0.7749 0.7360 0.8022 0.8083 0.9476 0.7468 0.9548 0.7329 0.8505 0.7582 0.7461 0.8758 0.7619 0.7671 0.7405 0.7196 0.6835 0.7670 0.7154 0.7120 0.7126 0.8952 0.7316 0.8578 0.8777 0.7372 0.7286 0.8874 0.7892 0.7642 0.7845 0.8428 0.8422 0.7496 0.7500 0.7853 0.7311 0.7428 0.7057 0.7593 0.7693 0.8509 0.7528 0.7624 0.7627 0.7555 0.9644 0.7554 0.7450 0.7413 0.8092 0.7157 0.6962 Gly_Gly Gly-Gly 0.9591 0.9711 0.9920 0.9908 0.9786 0.9474 0.9821 0.9815 0.9903 0.9789 0.9051 0.9656 0.9352 0.9810 0.9689 0.9737 0.9654 0.9010 0.9748 0.9662 0.5951 0.4122 0.9388 1.0332 0.9311 0.9357 0.9289 0.4715 0.9329 0.4124 0.3825 0.3902 0.4961 0.4064 0.4360 0.3454 0.9849 0.4399 0.9033 0.9867 0.9785 0.9814 0.9568 0.9858 0.9798 0.9600 0.9914 0.9848 0.9771 0.9817 0.9829 0.9762 0.9867 0.9688 0.9020 0.9776 0.9767 0.9564 0.9761 0.9782 0.9678 0.9715 0.9650 0.9662 0.9582 0.9601 0.9499 0.9116 0.9436 0.9116 0.9247 0.9253 0.9038 0.5673 0.8801 0.9183 0.9521 0.9148 0.9157 0.7230 0.9222 0.9518 0.9026 0.8887 0.5078 0.9190 0.5300 0.5745 1.0203 0.9319 0.8844 0.5537 0.5853 0.5509 0.9181 0.5508 0.4367 1.0250 0.4340 0.8394 0.4530 0.4493 0.8957 0.9226 0.8416 0.8652 0.8475 0.8683 0.9376 1.0243 1.0606 0.9330 0.9359 0.9113 0.9295 0.4763 0.9346 0.9226 1.0077 0.5884 0.5218 0.8996 0.5244 0.9270 0.8876 0.9134 0.8371 0.5403 0.8890 0.9274 0.8998 0.8829 Guanidinoacetate Guanidoacetic acid 0.7900 0.7896 0.8072 0.7902 0.8076 0.6956 0.7930 0.8144 0.8219 0.7774 0.6459 0.7975 0.7158 0.8106 0.7967 0.7817 0.7980 0.6235 0.7892 0.7589 0.8019 0.5427 0.6435 0.7123 0.8642 0.7757 0.6944 0.6885 0.6072 0.6119 0.5841 0.5302 0.5527 0.6630 0.6433 0.5867 0.5860 0.5534 0.8873 0.5402 0.6547 0.8884 0.8882 0.8795 0.8834 0.8808 0.8786 0.8956 0.8903 0.8799 0.8843 0.8868 0.8795 0.8899 0.8852 0.8826 0.6580 0.8836 0.5723 0.7085 0.7063 0.5708 0.5534 0.7315 0.6643 0.6976 0.6996 0.6781 0.7232 0.6204 0.6160 0.7190 0.6920 0.7292 0.7183 0.6907 0.5346 0.6418 0.6376 0.6234 0.7319 0.7113 0.7131 0.5822 0.6364 0.7421 0.7032 0.6490 0.6547 0.6460 0.6278 0.6753 0.7027 0.6370 0.6554 0.6695 0.7159 0.5741 0.6705 0.6370 0.6990 0.5356 0.6112 0.5701 0.5724 0.6528 0.6485 0.6528 0.5612 0.6466 0.4807 0.5500 0.4763 0.8518 0.6388 0.7110 0.7683 0.5673 0.6181 0.7779 0.6791 0.6521 0.6811 0.6399 0.6233 0.6413 0.7517 0.6228 0.5620 0.6540 0.6034 0.6382 0.6330 0.6339 0.6024 0.6140 0.6644 0.5887 0.6319 0.5871 0.6377 0.6308 0.6287 guanidinosuccinate Guanidinosuccinic acid 0.6295 0.6063 0.6118 0.6089 0.6051 0.5206 0.6113 0.6147 0.6159 0.6195 0.6399 0.6140 0.6186 0.5951 0.5916 0.6036 0.5554 0.6454 0.6052 0.6196 0.4793 0.6473 0.6967 0.6714 0.7754 0.6887 0.6989 0.6877 0.6405 0.4358 0.4492 0.6527 0.6699 0.6841 0.6760 0.6793 0.6768 0.6762 0.6813 0.7024 0.6859 0.6640 0.6870 0.6589 0.6618 0.6515 0.6597 0.6882 0.6747 0.6807 0.6157 0.6180 0.6119 0.6141 0.6161 0.6123 0.6094 0.6202 0.6115 0.6115 0.6760 0.7281 0.7356 0.7011 0.7263 0.7049 0.7187 0.7280 0.5339 0.5662 0.7248 0.7227 0.7005 0.6870 0.7027 0.6734 0.7268 0.6892 0.7007 0.7181 0.5109 0.7299 0.8148 0.7281 0.7157 0.7229 0.7671 0.4097 0.6681 0.7320 0.6738 0.4575 0.4145 0.3947 0.4413 0.6723 0.7734 0.7705 0.6762 0.6825 0.6969 0.6882 0.6964 0.7243 0.7643 0.5731 0.6021 0.7112 0.6377 0.7036 0.6728 0.6990 0.6423 0.6467 0.6890 0.7118 0.6693 0.4462 Harmaline Harmaline 0.8885 0.8932 0.8983 0.8915 0.9016 0.8912 0.8955 0.9060 0.9077 0.8870 0.8722 0.8952 0.8905 0.9047 0.8942 0.8905 0.8925 0.8765 0.8972 0.8835 0.6925 0.4481 0.7437 0.8064 0.8401 0.9375 0.8191 0.8176 0.8358 0.4836 0.7732 0.4905 0.4447 0.4411 0.4624 0.6201 0.4350 0.5331 0.4918 0.4385 0.8517 0.4700 0.7582 0.8550 0.8510 0.8495 0.8452 0.8502 0.8499 0.8503 0.8593 0.8493 0.8474 0.8483 0.8499 0.8461 0.8512 0.8485 0.8145 0.8487 0.8679 0.8586 0.8717 0.8712 0.8659 0.8721 0.8555 0.8631 0.8556 0.8571 0.8201 0.7956 0.7951 0.8204 0.8156 0.8222 0.8184 0.8168 0.5984 0.8053 0.7925 0.7882 0.8259 0.8059 0.8203 0.6596 0.7948 0.8274 0.8004 0.7778 0.5491 0.7714 0.5269 0.4963 0.9056 0.7784 0.6300 0.5418 0.4910 0.5820 0.7869 0.6092 0.5130 0.8918 0.4482 0.5315 0.4990 0.5040 0.8099 0.7741 0.6766 0.7086 0.3814 0.6316 0.7152 0.8358 0.9212 0.5384 0.5736 0.9253 0.8165 0.7943 0.8265 0.8350 0.7856 0.7656 0.9019 0.4759 0.5004 0.4927 0.4546 0.8014 0.5251 0.7988 0.6328 0.7815 0.5030 0.5521 0.6611 0.7335 0.7020 0.5794 0.7026 0.4633 hexadecylglycerol MG O-16:0 0.6681 0.6832 0.6970 0.6958 0.7007 0.6924 0.6845 0.7020 0.7023 0.6954 0.6753 0.6787 0.6941 0.6952 0.6789 0.6663 0.6789 0.7096 0.6854 0.6695 1.0369 0.6914 0.7933 0.8454 0.7869 0.8996 0.7897 0.7840 0.7878 0.8531 0.7478 0.7774 0.6497 0.6381 0.6615 0.8597 0.7400 0.7872 0.7457 0.6505 0.6933 0.6911 0.7052 0.6920 0.6872 0.6790 0.6962 0.6801 0.6866 0.7089 0.6981 0.6807 0.6879 0.6846 0.6997 0.6950 0.6781 0.7064 0.6759 0.7051 0.6482 0.6615 0.6543 0.6580 0.6590 0.6635 0.6556 0.6528 0.6433 0.6553 0.6885 0.6875 0.7079 0.7011 0.7094 0.7081 0.7116 0.7165 0.6971 0.7019 0.6691 0.6850 0.6841 0.6909 0.7159 0.6504 0.6943 0.7230 0.7036 0.6582 0.7213 0.7823 0.7838 0.8140 0.8451 0.7602 0.7615 0.8166 0.8344 0.8765 0.7723 0.9629 0.8182 0.8605 0.7226 0.7689 0.7942 0.8330 0.7760 0.7840 0.6425 0.7186 0.6720 0.6066 0.6770 0.6529 1.0076 0.6403 0.7803 0.8802 0.8122 0.8066 0.8978 0.7893 0.7957 0.7842 0.7869 0.8917 0.7779 0.7815 0.8284 0.7668 0.8138 0.7926 0.7487 0.7706 0.7486 0.7712 0.7653 0.7552 0.7620 0.9331 0.7750 0.7752 0.7693 0.8660 0.7687 0.7802 hexitol Sorbitol 0.4813 0.5136 0.6069 0.5086 0.5527 0.6161 0.6317 0.5462 0.5606 0.5712 0.5868 0.5007 hexoside 0.9004 0.9021 0.9285 0.9199 0.9144 0.9227 0.9149 0.9316 0.9409 0.8738 0.8949 0.9157 0.9215 1.0019 0.9049 0.9087 0.9049 0.9071 0.9025 0.8930 1.0590 0.8174 0.8645 0.9279 0.8662 0.9722 0.8611 0.8477 0.8649 0.9560 0.8488 0.9386 0.8235 0.8338 0.8461 0.8369 0.9505 0.9222 0.9099 0.8302 0.8922 0.7784 0.8990 0.9287 0.8878 0.8701 0.8818 0.8756 0.8736 0.8854 0.8819 0.8808 0.8830 0.8879 0.8715 0.8879 0.8791 0.9112 0.8348 0.8810 0.9363 0.9269 0.9319 0.9295 0.9243 0.9321 0.9276 0.9147 0.9264 0.9141 0.8754 0.8104 0.8345 0.8614 0.8487 0.8634 0.8872 0.8411 0.9192 0.8077 0.8153 0.8813 0.8716 0.8507 0.8487 0.8282 0.8208 0.8710 0.8583 0.8365 0.9577 0.8659 0.9564 0.9338 0.9491 0.8604 0.8559 0.9230 0.9540 0.9191 0.8316 0.9616 0.9174 0.9352 0.8445 0.8624 0.9193 0.9107 0.8377 0.8520 0.8793 0.8280 0.8816 0.9447 0.9128 0.8135 1.5150 0.8863 0.8789 0.9585 0.9306 0.9255 0.9700 0.8909 0.8644 0.8514 0.8659 0.9542 0.8449 0.8480 0.9263 0.8726 0.9177 0.9131 0.8609 0.8368 0.8734 0.8287 0.8596 0.8381 0.8670 0.9271 0.8709 0.8536 0.8428 0.9365 0.8692 0.8906 hexuronic_acid Hexuronic acid 0.6867 0.6903 0.6910 0.6854 0.7041 0.6888 0.6921 0.6997 0.6900 0.6798 0.6925 0.6825 0.6940 0.6876 0.6989 0.6738 0.6961 0.6999 0.6837 0.6811 0.4787 0.7827 0.8301 0.7772 0.8873 0.7776 0.7773 0.7743 0.6530 0.7638 0.6944 0.6261 0.4804 0.5760 0.5603 0.5913 0.5117 0.7908 0.4496 0.7866 0.7901 0.7895 0.7846 0.7857 0.7859 0.7883 0.7938 0.7971 0.7842 0.7889 0.7872 0.7856 0.7914 0.7890 0.7901 0.7675 0.7851 0.6580 0.6644 0.6601 0.6570 0.6592 0.6576 0.6594 0.6580 0.6632 0.6565 0.7396 0.7383 0.7460 0.7412 0.7453 0.7491 0.7505 0.7466 0.5873 0.7455 0.7419 0.7392 0.7474 0.7357 0.7496 0.6864 0.7412 0.7470 0.7266 0.7363 0.5105 0.7744 0.7318 0.6358 0.8706 0.7716 0.7707 0.4817 0.6552 0.7521 0.8372 0.5535 0.7502 0.5724 0.7589 0.7582 0.5478 0.6290 0.4794 0.5536 0.7765 0.8573 0.7054 0.7263 0.8769 0.7704 0.7747 0.7720 0.7708 0.7726 0.7633 0.8226 0.6893 0.5299 0.6612 0.7057 0.7652 0.7247 0.7614 0.7526 0.7600 0.7417 0.6777 0.7525 0.7601 0.7566 0.7519 0.6703 Homocysteine Homocysteine 0.5189 0.5307 0.5610 0.5709 0.5327 0.6563 0.6670 0.5436 0.6582 0.6498 0.5103 0.5291 0.5403 0.6756 0.5402 0.6510 0.6640 0.5792 0.6626 0.5234 0.6258 0.6745 0.7231 0.7225 0.8115 0.7144 0.7061 0.7047 0.5206 0.6976 0.5020 0.4011 0.3753 0.4860 0.4165 0.7114 0.6793 0.7154 0.7199 0.7206 0.7192 0.7271 0.7189 0.7223 0.7299 0.7100 0.7152 0.7141 0.7228 0.7155 0.7230 0.7160 0.7026 0.7174 0.4500 0.6489 0.6500 0.6460 0.6500 0.4423 0.6386 0.6486 0.4321 0.6367 0.6775 0.6746 0.6768 0.6755 0.6880 0.6884 0.6813 0.6920 0.6857 0.6847 0.6502 0.6772 0.6553 0.6823 0.4442 0.6795 0.6779 0.6539 0.6794 0.4678 0.6892 0.5074 0.7835 0.6951 0.5748 0.5383 0.5945 0.5540 0.6942 0.6104 0.5239 0.7585 0.5139 0.7017 0.6569 0.4396 0.4493 0.4234 0.3652 0.5551 0.4442 0.5894 0.7123 0.8009 0.8226 0.7174 0.6933 0.7204 0.7256 0.5559 0.6982 0.6473 0.7584 0.4962 0.5751 0.5535 0.6858 0.5551 0.7013 0.5109 0.6629 0.4471 0.5639 0.5688 0.6175 0.6372 0.5463 0.5705 0.4784 Homogenentisic_acid 0.8409 0.8301 0.8310 0.8447 0.8417 0.8406 0.8466 0.8534 0.8615 0.8411 0.8373 0.8409 0.8490 0.8451 0.8353 0.8432 0.8278 0.8257 0.8306 0.8245 1.2763 0.8817 0.9149 0.9858 0.9222 1.0534 0.9212 0.9121 0.9162 0.9819 0.9162 0.9308 0.8481 0.8690 0.9619 1.1041 0.6549 0.9386 1.0400 0.8736 0.9451 0.7443 0.9586 0.9478 0.9471 0.9278 0.9415 0.9320 0.9290 0.9455 0.9404 0.9374 0.9485 0.9474 0.9297 0.9481 0.9379 0.9447 0.9324 0.9352 0.8706 0.8791 0.8808 0.8721 0.8733 0.8798 0.8720 0.8548 0.8798 0.8682 0.9494 0.9172 0.9146 0.9392 0.9331 0.9419 0.9312 0.9220 0.7515 0.9276 0.9328 0.9303 0.9407 0.9406 0.9399 0.9379 0.9340 0.9420 0.9418 0.9356 0.8546 0.9181 0.8888 0.8821 1.0291 0.9191 0.9168 0.8812 0.9067 0.9606 0.9049 1.0940 0.8967 1.0058 0.9578 0.9284 1.0399 0.9329 0.9034 0.9121 0.7683 0.4842 0.5041 0.4471 0.7889 0.4648 0.8833 0.5018 0.9228 1.0130 0.9580 0.9213 1.0353 0.6809 0.9205 0.9072 0.9105 0.9664 0.9294 0.9149 0.9953 0.9318 0.9030 0.9442 0.9213 0.9134 0.8872 0.9137 0.9231 0.9158 0.9361 1.1457 0.9272 0.9249 0.9136 0.9868 0.9341 0.8934 homoglutamine Homoglutamine 0.5134 0.4849 0.4958 0.5224 0.5237 0.5160 0.5101 0.4776 0.4950 0.5169 0.4945 0.4990 0.4775 0.4750 0.5046 0.4530 0.4916 1.0226 0.6521 0.5238 0.5442 0.8130 0.5182 0.7802 0.5836 0.6188 0.6742 0.8811 0.5651 0.7861 0.7514 0.6236 0.4881 0.5319 0.5232 0.5417 0.4987 0.5328 0.5164 0.4768 0.4546 0.4460 0.4613 0.4217 0.4715 0.5096 0.4426 0.5024 0.5301 0.5018 0.4973 0.5192 0.5125 0.7874 0.5236 0.8156 0.8439 0.5072 0.8587 0.8561 0.9329 0.9594 0.7908 0.7015 0.4814 0.7803 0.8165 0.4952 0.3984 0.4570 0.3895 0.6198 0.4064 0.6383 0.6590 0.4205 0.4999 0.5486 0.7628 0.7767 0.4868 0.4961 0.8595 0.5376 0.7209 0.7986 0.7799 0.7140 0.5194 0.7637 0.5207 0.5089 0.4621 0.9011 0.4880 0.4844 0.8374 0.4865 0.7601 Homoserine Homoserine 0.8098 0.8205 0.8428 0.8341 0.8345 0.7336 0.8241 0.7775 0.8543 0.8185 0.6800 0.7548 0.7425 0.8316 0.8125 0.8032 0.8257 0.6433 0.8142 0.7876 0.7588 0.4662 0.6138 0.6258 0.6234 0.7172 0.6223 0.6200 0.6168 0.5983 0.6126 0.5832 0.4995 0.4938 0.5158 0.6478 0.5102 0.5541 0.5719 0.4862 0.6411 0.5080 0.6945 0.7368 0.6401 0.6975 0.6344 0.6994 0.7123 0.6584 0.7110 0.6872 0.6361 0.6337 0.6859 0.6293 0.6936 0.6839 0.5941 0.7037 0.6463 0.6563 0.6609 0.6510 0.6549 0.6968 0.6078 0.6563 0.6485 0.6575 0.6395 0.6302 0.6311 0.6409 0.6518 0.5886 0.6514 0.6510 0.5035 0.6337 0.6091 0.6090 0.6482 0.5968 0.6294 0.5739 0.6327 0.6502 0.6305 0.6030 0.4621 0.6291 0.5879 0.6230 0.6965 0.6206 0.6251 0.6155 0.6379 0.6893 0.6115 0.6991 0.5789 0.6844 0.4347 0.5879 0.5265 0.6064 0.6154 0.6131 0.5026 0.4934 0.4936 0.4489 0.4851 0.4623 0.6929 0.5010 0.6120 0.6823 0.5855 0.5092 0.7087 0.6283 0.6288 0.6146 0.6298 0.6136 0.6180 0.6153 0.6761 0.6875 0.5943 0.5874 0.6797 0.6249 0.6034 0.6179 0.7083 0.6112 0.6898 0.6209 0.7046 0.6143 0.6042 0.6036 0.5997 0.5626 Homovanillate Homovanillic acid 1.0917 1.1001 1.1117 1.0136 1.1127 1.1096 1.1085 1.1190 1.1224 0.9997 0.9135 0.9681 1.1091 1.1031 1.0970 0.9521 1.0995 0.9560 1.0972 0.9441 1.2648 0.9663 0.9901 1.0629 0.9916 1.1026 0.9820 0.9681 0.9886 1.1033 0.9674 1.0684 0.9712 0.9807 0.9914 0.9857 1.1052 0.9653 1.0657 0.9810 1.0670 0.8769 1.0274 1.0640 1.0313 1.0479 1.0265 1.0488 1.0531 1.0677 1.0634 1.0563 1.0658 1.0660 1.0499 1.0337 1.0561 1.0681 0.9385 1.0559 1.0702 1.0795 1.0730 1.0723 1.0730 1.0794 1.0744 1.0694 1.0772 1.0675 1.0113 0.9493 0.9527 0.9957 1.0404 1.0051 0.9965 0.9840 1.0681 0.9708 1.0379 1.0367 1.0103 0.9984 1.0477 0.9421 1.0369 1.0167 1.0434 0.9548 1.0091 1.0486 1.0573 1.0867 1.0775 0.9774 1.0431 1.0659 1.1057 1.0686 0.9427 1.1568 1.0621 1.0680 0.9959 0.9876 1.0853 1.0544 0.9464 0.9744 1.0481 0.9965 1.0444 1.1428 1.0663 0.9501 1.7547 1.0534 0.9953 1.0900 1.0727 1.0631 1.1017 0.9787 0.9976 0.9676 0.9877 1.1038 0.9925 0.9713 1.0581 1.0008 1.0639 1.0598 0.9882 0.9490 0.9983 0.9717 0.9855 0.9437 0.9948 1.1158 0.9993 0.9759 0.9550 1.0891 1.0488 1.0297 hydroxycarbamate Hydroxycarbamic acid 0.7499 0.7499 0.7645 0.7691 0.7656 0.7512 0.7589 0.7676 0.7631 0.7500 0.7147 0.7527 0.7468 0.7674 0.7518 0.7538 0.7475 0.6421 0.4233 0.7477 0.7094 0.7490 0.7906 0.8763 0.7696 0.7628 0.7799 0.6942 0.4337 0.4003 0.8423 0.7444 0.8586 0.8591 0.8501 0.8477 0.8225 0.8685 0.8374 0.8381 0.8406 0.8438 0.8287 0.7474 0.8318 0.7112 0.6963 0.6953 0.7112 0.7043 0.8557 0.8204 0.8276 0.8498 0.8493 0.8517 0.8545 0.8481 0.8288 0.7200 0.7611 0.8504 0.8238 0.8330 0.7672 0.8553 0.8385 0.6959 0.7140 0.7014 0.6834 0.7020 0.6913 0.4671 0.7586 0.6713 0.6896 0.6239 0.7373 0.7726 0.8491 0.8778 0.7341 0.7085 0.7685 0.7833 0.7148 0.8475 0.4549 0.5657 0.7691 0.7269 0.6635 0.6714 0.6732 0.6920 0.6744 0.6818 Hydroxyphenyllactate Hydroxyphenyllactic acid 0.6282 0.6380 0.6324 0.6433 0.6327 0.6409 0.6428 0.6173 0.6230 0.6335 0.6173 0.6414 0.6448 0.6247 0.6339 0.6585 0.6310 0.6468 1.0742 0.6874 0.7294 0.7746 0.7187 0.8425 0.7243 0.7133 0.7300 0.8186 0.7224 0.7719 0.6560 0.6858 0.7243 0.9167 0.6793 0.7806 0.7879 0.6826 0.6895 0.6028 0.6987 0.6783 0.6881 0.6754 0.6838 0.6781 0.6163 0.6523 0.6896 0.6766 0.6833 0.6872 0.6871 0.6877 0.6910 0.7045 0.6792 0.6294 0.6391 0.6363 0.6386 0.6332 0.6302 0.6356 0.6353 0.6417 0.6374 0.7651 0.6968 0.7075 0.7528 0.6969 0.7585 0.7527 0.7189 0.5534 0.7036 0.6983 0.7102 0.7578 0.6826 0.6965 0.6960 0.6989 0.7763 0.7374 0.6873 0.7034 0.7277 0.7604 0.8085 0.7688 0.7247 0.7262 0.8132 0.8085 0.9140 0.7419 0.9785 0.7948 0.8093 0.7476 0.7405 0.8168 0.8276 0.7443 0.7407 0.6137 0.7285 0.4724 0.6041 0.5525 0.6301 0.8205 0.4440 0.7269 0.6845 0.7585 0.7789 0.8319 0.6934 0.7355 0.7408 0.7366 0.8853 0.7343 0.7147 0.7871 0.7162 0.7634 0.7636 0.7330 0.7368 0.7267 0.7316 0.7285 0.7378 0.7327 0.9567 0.7365 0.7213 0.7443 0.8562 0.7198 0.7427 Hypotaurine Hypotaurine 0.6855 0.6933 0.7049 0.6971 0.7030 0.7002 0.6971 0.7081 0.7133 0.6908 0.7031 0.6965 0.7048 0.7057 0.6940 0.6878 0.6935 0.7014 0.6955 0.6854 0.7619 0.4446 0.6036 0.6305 0.5846 0.6709 0.5690 0.5706 0.5488 0.6479 0.5747 0.5747 0.3975 0.3792 0.5528 0.6716 0.4579 0.5684 0.6014 0.4224 0.6240 0.4479 0.5979 0.5448 0.5544 0.4614 0.5667 0.4952 0.5394 0.5948 0.5758 0.5715 0.5684 0.5515 0.5485 0.5798 0.5378 0.5784 0.5259 0.5584 0.6371 0.6457 0.6529 0.6520 0.6512 0.6584 0.6425 0.6515 0.6403 0.6539 0.5551 0.5205 0.4947 0.5359 0.5398 0.5059 0.5484 0.5288 0.4863 0.5233 0.4909 0.5010 0.5522 0.5594 0.5359 0.5079 0.5403 0.5420 0.5108 0.5174 0.5426 0.6131 0.6345 0.5729 0.5172 0.5162 0.6145 0.6176 0.6285 0.4865 0.6117 0.5545 0.5368 0.5737 0.5002 0.5429 0.5206 0.5635 0.5179 0.4444 0.4685 0.4558 0.5050 0.4176 0.4929 0.5153 0.6321 0.6080 0.5775 0.6348 0.5717 0.5702 0.5496 0.5368 0.5645 0.5209 0.5793 0.5823 0.5856 0.5855 0.5721 0.5651 0.5549 0.5997 0.5709 0.5289 0.5451 0.5819 0.6928 0.5195 0.4971 0.5020 0.6100 0.5416 0.6053 Hypoxanthine Hypoxanthine 0.4474 0.4380 0.4725 0.4681 0.4641 0.4594 0.4741 0.4761 0.4290 0.4845 0.4496 0.4565 0.4473 0.4450 0.4424 0.4261 0.4513 0.4370 0.4451 0.8136 0.5686 0.5401 0.5561 0.6257 0.7197 0.6022 0.6040 0.5773 0.6234 0.5997 0.6251 0.5525 0.5468 0.5485 0.6423 0.5793 0.5679 0.5566 0.5457 0.6513 0.5739 0.5600 0.5549 0.5429 0.5449 0.5484 0.5441 0.5757 0.5522 0.5620 0.5525 0.5532 0.5294 0.5482 0.5553 0.5651 0.5612 0.5693 0.4518 0.4594 0.4452 0.4422 0.4530 0.4412 0.4239 0.4497 0.4587 0.4444 0.5570 0.5265 0.5336 0.5245 0.5249 0.5312 0.5131 0.5263 0.6482 0.5252 0.5266 0.5389 0.5344 0.5439 0.5286 0.5298 0.5209 0.5337 0.5373 0.5294 0.6243 0.5433 0.5398 0.5900 0.5623 0.5068 0.5055 0.5694 0.5964 0.6616 0.5447 0.7183 0.5444 0.5620 0.5401 0.5140 0.5718 0.6138 0.5424 0.5164 0.4010 0.5643 0.3962 0.4206 0.3950 0.4674 0.8149 0.3916 0.5349 0.5784 0.5459 0.6436 0.5985 0.5683 0.6128 0.5940 0.5841 0.6305 0.5442 0.6000 0.5984 0.5786 0.5910 0.5571 0.4825 0.5698 0.5099 0.6013 0.5309 0.4963 0.5272 0.6877 0.5632 0.5190 0.5714 0.6360 0.5477 0.5527 ibuprofen Ibuprofen 0.6595 0.6674 0.6815 0.6469 0.6766 0.6872 0.6626 0.6572 0.4924 0.6529 0.6811 0.6540 0.6548 0.6555 0.6638 0.6629 0.6862 0.6744 0.9501 0.6071 0.7545 0.8035 0.7433 0.8648 0.7474 0.7521 0.7456 0.5861 0.7435 0.7004 0.6251 0.6269 0.6205 0.7896 0.5692 0.6944 0.5513 0.6230 0.7158 0.5892 0.7387 0.7234 0.7191 0.7145 0.6916 0.4856 0.7125 0.7233 0.7183 0.7106 0.7190 0.7112 0.7212 0.5346 0.7118 0.7251 0.7419 0.7129 0.4605 0.4251 0.4574 0.4558 0.4544 0.4473 0.4297 0.6734 0.6758 0.7016 0.7354 0.7373 0.7086 0.7265 0.7123 0.7209 0.7292 0.6185 0.7266 0.7316 0.7392 0.7118 0.7091 0.7196 0.7176 0.7350 0.7047 0.7044 0.7275 0.6258 0.7335 0.7055 0.5718 0.8322 0.7419 0.7439 0.6770 0.7123 0.7210 0.7366 0.8554 0.6795 0.8119 0.6367 0.7380 0.7092 0.7010 0.7444 0.7419 0.4074 0.5551 0.3979 0.4574 0.3959 0.4165 0.6428 0.4178 0.7407 0.8280 0.7019 0.7147 0.8514 0.7498 0.7495 0.7508 0.7463 0.7603 0.7392 0.7446 0.7903 0.7050 0.6876 0.6941 0.7205 0.7393 0.7042 0.7312 0.7377 0.7449 0.7360 0.8318 0.7363 0.4951 0.5294 0.7355 0.7323 0.6962 Indole_3_Acetaldehyde Indoleacetaldehyde 0.8634 0.6504 0.9037 0.8981 0.9031 0.6672 0.8908 0.9010 0.9061 0.6246 0.5916 0.5731 0.8822 0.9008 0.8921 0.8774 0.8838 0.6285 0.8868 0.8766 0.6262 0.4212 0.9018 0.9584 0.9376 1.0647 0.9246 0.9219 0.9329 0.5568 0.9077 0.5525 0.5150 0.3990 0.4126 0.4449 0.5323 0.9131 0.4434 0.8408 0.9393 0.9331 0.9242 0.9349 0.9293 0.9297 0.9360 0.9451 0.9174 0.9365 0.9216 0.9280 0.9312 0.9292 0.9347 0.8859 0.9286 0.8222 0.8640 0.8479 0.8477 0.8507 0.8610 0.8599 0.8602 0.8619 0.8618 0.9087 0.8847 0.8906 0.9083 0.9076 0.9193 0.9123 0.9114 0.4568 0.9058 0.8921 0.8786 0.9152 0.9086 0.9222 0.4712 0.8894 0.9307 0.9037 0.8836 0.4666 0.8743 0.9942 0.8833 0.7686 0.8917 0.6246 0.5146 0.9725 0.4635 0.5078 0.9009 0.8725 0.7934 0.4219 0.6796 0.3930 0.8051 0.8328 0.9301 1.0359 0.5314 0.5521 1.0531 0.6511 0.9195 0.9313 0.9361 0.5448 0.9082 0.8873 0.9834 0.5887 0.4995 0.5634 0.5041 0.8692 0.4694 0.9169 0.7553 0.8563 0.6294 0.6618 0.8039 0.8505 0.8198 0.5667 0.7452 0.5103 Indole_3_acetate Indoleacetic acid 0.7149 0.7215 0.7248 0.7175 0.7313 0.7261 0.7189 0.7306 0.7306 0.7101 0.7186 0.7203 0.7215 0.7298 0.7210 0.7120 0.7192 0.7313 0.7178 0.7100 0.6433 0.5806 0.7970 0.8464 0.7916 0.9069 0.7935 0.7934 0.7926 0.5944 0.7863 0.6905 0.5621 0.5313 0.6195 0.5429 0.4774 0.5250 0.6901 0.5549 0.7903 0.5431 0.7509 0.7930 0.7902 0.7833 0.7875 0.7849 0.7877 0.7916 0.7988 0.7840 0.7869 0.7834 0.7851 0.7894 0.7877 0.7962 0.7619 0.7846 0.7012 0.6999 0.7055 0.7027 0.7030 0.7087 0.6976 0.6973 0.7028 0.6978 0.7660 0.7618 0.7738 0.7707 0.7727 0.7775 0.7749 0.7793 0.5497 0.7767 0.7673 0.7631 0.7739 0.7676 0.7803 0.7388 0.7617 0.7805 0.7493 0.7649 0.4860 0.7833 0.7328 0.6108 0.8707 0.7807 0.7807 0.5461 0.7779 0.6693 0.5176 0.8627 0.6473 0.7770 0.6990 0.5252 0.7829 0.7832 0.6392 0.4280 0.4108 0.5385 0.6499 0.4913 0.6500 0.7993 0.8810 0.7384 0.7492 0.9022 0.7945 0.7994 0.7941 0.7934 0.5619 0.7875 0.7844 0.8403 0.7490 0.5776 0.7118 0.7488 0.7810 0.7511 0.7775 0.7767 0.7806 0.7725 0.6924 0.7816 0.7833 0.7775 0.6093 0.7758 0.7057 Indole_3_carboxyaldehyde 1H-Indole-3-carboxaldehyde 0.8106 0.8087 0.8120 0.7936 0.8223 0.7654 0.8076 0.8339 0.8378 0.7726 0.7439 0.8289 0.7459 0.8141 0.8070 0.8000 0.8179 0.6577 0.8097 0.8014 0.4091 0.5127 0.5573 0.6228 0.6349 0.5735 0.5622 0.5863 0.4639 0.5384 0.5262 0.4522 0.4839 0.4358 0.3910 0.5982 0.5556 0.5967 0.5952 0.5833 0.5654 0.5958 0.5842 0.7034 0.5819 0.5571 0.5842 0.5478 0.5871 0.6013 0.5878 0.5478 0.5582 0.5177 0.4546 0.6058 0.3363 0.4995 0.5512 0.5435 0.4795 0.4934 0.5836 0.5123 0.6270 0.5554 0.5401 0.6206 0.5777 0.6233 0.6228 0.5742 0.4006 0.5811 0.5522 0.5535 0.5436 0.5868 0.5852 0.4806 0.5647 0.6204 0.5831 0.4811 0.5290 0.7033 0.4742 0.4909 0.6248 0.5874 0.5327 0.5015 0.5301 0.5257 0.5577 0.4609 0.6089 0.4087 0.5527 0.4359 0.4635 0.5481 0.5460 0.4435 0.4011 0.4321 0.6459 0.6498 0.4963 0.5352 0.6381 0.6319 0.6040 0.5682 0.5910 0.5654 0.5542 0.6430 0.5066 0.4894 0.5063 0.5277 0.5718 0.5557 0.4849 0.5493 0.5216 0.5135 0.5352 0.5496 0.5194 0.5391 0.4354 indole_3_lactate Indolelactic acid 0.6124 0.6274 0.6329 0.6227 0.6464 0.6904 0.6227 0.6583 0.6728 0.6259 0.6841 0.6312 0.6740 0.6253 0.6182 0.5920 0.6307 0.7395 0.6219 0.6129 0.5690 0.4170 0.7924 0.8435 0.6932 0.8336 0.7408 0.7480 0.7056 0.5185 0.7500 0.4720 0.4981 0.4152 0.5938 0.4890 0.4788 0.6139 0.7722 0.6589 0.6344 0.6286 0.6460 0.6312 0.6514 0.7164 0.6543 0.6157 0.6648 0.6167 0.6063 0.6235 0.6130 0.6734 0.5721 0.6425 0.5626 0.5715 0.5598 0.5643 0.5703 0.5661 0.5574 0.5795 0.5836 0.5686 0.6634 0.7467 0.7652 0.7162 0.7442 0.7153 0.7337 0.7604 0.7412 0.6913 0.7375 0.7083 0.7041 0.7209 0.6076 0.7598 0.7262 0.7602 0.6839 0.4786 0.7645 0.4088 0.4427 0.8270 0.7395 0.7679 0.3906 0.4620 0.5703 0.7448 0.5847 0.5216 0.8182 0.4973 0.5996 0.4892 0.4046 0.7382 0.7568 0.4807 0.4840 0.3528 0.4858 0.3836 0.4972 0.7058 0.8027 0.4732 0.4882 0.8350 0.7189 0.7770 0.7272 0.7021 0.5495 0.7444 0.7702 0.7577 0.5761 0.4608 0.5096 0.5749 0.7470 0.4673 0.7285 0.7736 0.7327 0.6940 0.6008 0.6585 0.7767 0.7667 0.5265 0.7050 0.5182 Indoleacetic_acid Indoleacetic acid 0.4100 0.3973 0.3955 0.3848 0.3834 0.4124 0.3922 0.3954 0.4171 0.4054 0.3846 0.3812 0.3866 0.4019 0.3887 0.3650 0.3926 0.4268 0.4035 0.3718 0.6837 0.6650 0.7111 0.6502 0.7543 0.6220 0.6345 0.6121 0.4986 0.6150 0.5419 0.4444 0.5812 0.5398 0.4459 0.4357 0.4243 0.4303 0.4374 0.4282 0.4145 0.4255 0.4273 0.4251 0.4294 0.4285 0.4455 0.4425 0.4536 0.3758 0.3673 0.4002 0.3928 0.3634 0.3606 0.3543 0.3747 0.2885 0.3625 0.4082 0.4361 0.4480 0.4263 0.4504 0.4491 0.4823 0.4702 0.4335 0.4113 0.4268 0.4325 0.4224 0.4546 0.4195 0.4620 0.4081 0.4116 0.5355 0.5103 0.4649 0.5040 0.5700 0.5134 0.4897 0.4646 0.5156 0.4971 0.5774 0.5511 0.5073 0.6426 0.4410 0.4914 0.4964 0.4853 0.5827 0.6133 0.3871 0.3817 0.3847 0.4021 0.6054 0.6635 0.5105 0.5061 0.6949 0.6147 0.6117 0.5932 0.5976 0.5830 0.6009 0.6543 0.6381 0.5122 0.4551 0.4599 0.4786 0.6228 0.4233 0.6422 0.5826 0.5808 0.5122 0.5796 0.6000 0.6135 0.4999 0.4884 0.5154 0.5022 inosine Inosine 0.3941 0.3578 0.3824 0.3936 0.4162 0.3854 0.3863 0.3986 0.4228 0.3641 0.3890 0.3872 0.4018 0.4005 0.3940 0.3896 0.4049 0.4041 0.3964 0.3911 0.9312 0.5277 0.7573 0.8044 0.7518 0.8625 0.7578 0.7494 0.7509 0.7900 0.7312 0.7502 0.5177 0.4787 0.5821 0.8250 0.5772 0.7594 0.5637 0.5222 0.5951 0.5402 0.6079 0.4571 0.5973 0.5916 0.6227 0.5920 0.5924 0.6268 0.6145 0.5954 0.5952 0.6007 0.5995 0.6123 0.5912 0.6340 0.6022 0.6238 0.4139 0.3798 0.3885 0.4013 0.4176 0.4128 0.4101 0.3979 0.4058 0.3992 0.6086 0.6078 0.6332 0.6257 0.6233 0.6222 0.6236 0.6327 0.5088 0.6237 0.4175 0.6003 0.5845 0.6087 0.6393 0.4150 0.6161 0.6375 0.6132 0.5555 0.6169 0.7120 0.7208 0.7433 0.7783 0.6975 0.7057 0.7436 0.7679 0.7562 0.7115 0.8632 0.7304 0.7951 0.5897 0.6961 0.7034 0.7704 0.7388 0.7454 0.4442 0.4857 0.4474 0.4366 0.4553 0.4300 0.7183 0.4517 0.7482 0.8314 0.7570 0.7385 0.8474 0.7523 0.7545 0.7440 0.7509 0.8260 0.7545 0.7544 0.8086 0.7340 0.7509 0.7207 0.7193 0.7474 0.6831 0.7530 0.7483 0.7406 0.7336 0.8484 0.7517 0.7520 0.7465 0.8091 0.7388 0.7340 Isocitrate Isocitric acid 0.8574 0.8639 0.8575 0.8512 0.8708 0.8612 0.8597 0.8688 0.8619 0.8441 0.8414 0.8580 0.8517 0.8703 0.8640 0.8528 0.8520 0.8849 0.8613 0.8554 1.0240 0.6431 0.8729 0.6676 0.8680 0.9976 0.8719 0.8746 0.8693 0.7517 0.8625 0.6207 0.6298 0.7003 0.8231 0.6183 0.7397 0.6259 0.8283 0.6321 0.9741 0.8838 0.8792 0.7346 0.8158 0.8777 0.8678 0.8787 0.8893 0.8654 0.8783 0.8102 0.8742 0.8844 0.7920 0.6889 0.8696 0.8729 0.8360 0.8418 0.8410 0.8403 0.8407 0.8440 0.8380 0.8384 0.8472 0.8352 0.6932 0.9261 0.9381 0.7346 0.8817 0.8625 0.8643 0.9332 0.6455 0.9476 0.9404 0.8680 0.8898 0.7681 0.9486 0.7259 0.8619 0.6471 0.7450 0.9617 0.8612 0.6712 0.7623 0.8554 0.9204 0.6829 0.9477 0.6668 0.8427 0.7651 0.6865 0.8557 0.8593 0.7484 0.7602 0.7301 0.9516 0.7722 0.8642 0.7699 0.9871 0.8711 0.8754 0.8647 0.6234 0.7303 0.8724 0.8602 0.6182 0.7601 0.7197 0.8610 0.6459 0.8661 0.8529 0.8646 0.7938 0.8846 0.8558 0.8617 0.8522 0.7444 0.8505 0.7030 isohexonic_acid 0.5704 0.5584 0.5934 0.5916 0.5656 0.5427 0.5574 0.5497 0.5570 0.5319 0.4156 0.5756 0.4157 0.5637 0.5549 0.5373 0.3844 0.3724 0.5487 0.5488 0.6923 0.7576 0.8034 0.9026 0.7632 0.7483 0.7630 0.6891 0.6815 0.7027 0.6969 0.7009 0.6970 0.7015 0.6563 0.6390 0.7100 0.6508 0.6938 0.6743 0.6865 0.6836 0.6920 0.6585 0.6562 0.7085 0.5694 0.5622 0.5793 0.5783 0.5661 0.5766 0.5679 0.5804 0.5611 0.5880 0.6909 0.6432 0.6479 0.6781 0.6795 0.7002 0.6775 0.6887 0.6580 0.6337 0.6414 0.6948 0.6678 0.6801 0.6346 0.7100 0.6709 0.5846 0.6131 0.4736 0.3676 0.7654 0.6449 0.4375 0.4662 0.4279 0.6716 0.7604 0.7149 0.6641 0.5189 0.5560 0.4678 0.5398 0.7172 0.8156 0.8241 0.7341 0.6868 0.7267 0.7357 0.7189 0.6959 0.8391 0.7298 0.3607 0.7591 0.4581 0.6709 0.6078 0.5878 Isoleucine Isoleucine 0.8484 0.8544 0.8721 0.8661 0.8639 0.8555 0.8543 0.8681 0.8722 0.8581 0.8145 0.8532 0.8599 0.8634 0.8540 0.8510 0.8520 0.7760 0.8492 0.8432 0.5079 0.7818 0.8229 0.8394 0.8060 0.7167 0.8442 0.8244 0.4655 0.7826 0.4100 0.3741 0.9210 0.7983 0.9200 0.9133 0.9134 0.9081 0.9172 0.9139 0.9086 0.9255 0.9194 0.9067 0.9174 0.9178 0.9134 0.9213 0.8948 0.8371 0.9075 0.8474 0.8296 0.8499 0.8485 0.8395 0.8463 0.8550 0.8494 0.7670 0.8407 0.8753 0.7931 0.7693 0.8628 0.8485 0.8632 0.8626 0.8044 0.5605 0.8090 0.8285 0.7605 0.8762 0.8184 0.7998 0.7878 0.8095 0.8750 0.7988 0.8130 0.3899 0.7335 0.9307 0.8152 0.7306 0.4583 0.7646 0.4404 0.8704 0.3836 0.7961 0.8006 0.7877 0.7369 0.7773 0.7537 0.8342 0.8056 0.7598 0.3959 0.4510 0.8033 0.8255 0.7449 0.7579 0.8195 0.4610 0.8003 0.7686 0.8905 0.7858 0.8189 0.7113 0.7642 0.7256 0.7624 0.7254 0.7668 isopentadecanoic_acid Isopentadecylic acid 0.6414 0.8177 0.8187 0.5928 0.8280 0.8214 0.8184 0.8258 0.8336 0.8067 0.7646 0.8187 0.6582 0.8265 0.8167 0.8138 0.8130 0.8210 0.8208 0.8097 0.9660 0.6540 0.8480 0.9056 0.8453 0.9710 0.8456 0.8485 0.8438 0.7636 0.8371 0.7925 0.6803 0.6874 0.7190 0.8166 0.6184 0.7258 0.7588 0.6955 0.8542 0.6844 0.8483 0.8496 0.8530 0.8444 0.8476 0.8462 0.8442 0.8517 0.8594 0.8440 0.8472 0.8456 0.8441 0.8499 0.8451 0.8535 0.8298 0.8444 0.8016 0.7957 0.8102 0.8094 0.7984 0.8055 0.7970 0.7962 0.7974 0.7928 0.8097 0.7956 0.8080 0.8028 0.8022 0.8099 0.8078 0.8071 0.6773 0.8017 0.8052 0.8132 0.7261 0.7932 0.8136 0.7866 0.8047 0.8071 0.7858 0.8018 0.7492 0.8351 0.8183 0.8017 0.9311 0.8323 0.8313 0.7351 0.7679 0.7364 0.8273 0.8666 0.7283 0.9145 0.7217 0.8185 0.7763 0.7235 0.8304 0.8309 0.6845 0.8085 0.6905 0.7014 0.6933 0.7189 0.8971 0.7031 0.8522 0.9410 0.8117 0.8229 0.9598 0.8457 0.8491 0.8458 0.8467 0.7746 0.8344 0.8362 0.9001 0.7855 0.7099 0.7700 0.7881 0.8281 0.8024 0.8296 0.8249 0.8294 0.8103 0.8519 0.8304 0.8334 0.8296 0.7593 0.8250 0.7766 isothreonic_acid D-Threonic acid 0.8638 0.8422 0.8180 0.8120 0.8664 0.8798 0.8473 0.8888 0.8978 0.8255 0.8734 0.8779 0.8860 0.8298 0.8297 0.8369 0.8560 0.8752 0.8326 0.8438 0.9175 0.6376 0.7837 0.8374 0.7733 0.9252 0.7788 0.7827 0.7745 0.7959 0.8061 0.7312 0.6624 0.6444 0.6541 0.7719 0.6460 0.6518 0.6848 0.6413 0.7550 0.6938 0.7974 0.7763 0.7628 0.7555 0.7663 0.7665 0.7499 0.7812 0.7579 0.7393 0.7629 0.7610 0.7679 0.7694 0.7326 0.7724 0.7956 0.7494 0.8576 0.8513 0.8588 0.8587 0.8555 0.8508 0.8556 0.8511 0.8529 0.8523 0.7563 0.7928 0.7941 0.7660 0.7832 0.7736 0.7819 0.7844 0.6799 0.7856 0.7850 0.7953 0.7645 0.7552 0.7776 0.7534 0.7927 0.7695 0.7588 0.7836 0.6412 0.7696 0.6849 0.6630 0.8750 0.7755 0.7761 0.7418 0.6525 0.8244 0.7856 0.9623 0.7279 0.8587 0.6230 0.7914 0.8183 0.6536 0.7893 0.7744 0.6637 0.6700 0.6633 0.5376 0.6470 0.5791 0.8873 0.6712 0.7941 0.8917 0.7193 0.6299 0.9075 0.7984 0.7999 0.8001 0.7845 0.7559 0.7748 0.7763 0.8296 0.7453 0.7257 0.6183 0.7528 0.7754 0.7305 0.7650 0.7694 0.7749 0.7656 0.7901 0.7699 0.7766 0.7747 0.8056 0.7702 0.6846 Kaempferol Kaempferol 0.3234 0.3480 0.6327 0.4343 0.4093 0.4368 0.4279 0.4107 0.5379 0.4605 0.4296 0.4241 0.4394 0.4199 0.4402 0.3309 0.3383 0.4002 0.4156 0.4247 0.4367 0.4937 0.2552 0.4684 0.4012 0.5397 Ketoisoleucine 3-Methyl-2-oxovaleric acid 0.7680 0.7556 0.7634 0.7582 0.7740 0.7864 0.7602 0.7788 0.7792 0.7473 0.7679 0.7744 0.7740 0.7613 0.7597 0.7533 0.7563 0.7974 0.7551 0.7506 1.0752 0.4892 0.6325 0.7197 0.6030 0.6964 0.5999 0.6015 0.5991 0.8265 0.6027 0.8028 0.7100 0.5125 0.7353 0.9234 0.4795 0.8042 0.7914 0.7065 0.8106 0.6772 0.7281 0.8077 0.8134 0.8006 0.8092 0.8037 0.7895 0.7729 0.8114 0.7935 0.8048 0.8093 0.8043 0.8176 0.7966 0.7923 0.5679 0.7931 0.7112 0.7092 0.7085 0.7117 0.7092 0.6947 0.6771 0.6816 0.7153 0.7027 0.8085 0.7810 0.7885 0.7972 0.7976 0.8038 0.7960 0.7947 0.4570 0.7920 0.6163 0.7904 0.8003 0.8009 0.8030 0.7476 0.7919 0.8057 0.8038 0.6687 0.7253 0.7106 0.6013 0.8191 0.6845 0.7048 0.7437 0.8229 0.8050 0.8752 0.5935 0.9607 0.7936 0.6847 0.7427 0.7530 0.7997 0.8248 0.5842 0.6877 0.6159 0.5964 0.6607 0.6255 0.6601 0.6370 0.5873 0.7901 0.6687 0.7889 0.5804 0.6599 0.5554 0.6228 0.5445 0.5630 0.8721 0.6601 0.6976 0.6459 0.7874 0.7942 0.7796 0.7734 0.6394 0.6255 0.6461 0.7705 0.6461 0.7399 0.9501 0.7684 0.7805 0.7470 0.6340 0.7644 0.5617 Ketoleucine Ketoleucine 0.8804 0.8738 0.8709 0.8624 0.8689 0.8695 0.8659 0.8716 0.8747 0.8614 0.8539 0.8876 0.8410 0.8730 0.8777 0.8768 0.8696 0.8868 0.8797 0.8732 0.6251 0.5734 0.6486 0.6855 0.6344 0.7330 0.6430 0.6436 0.6169 0.6415 0.6564 0.5850 0.5811 0.5799 0.5982 0.5749 0.5552 0.5796 0.6016 0.5692 0.6080 0.3038 0.5637 0.5981 0.5505 0.5578 0.5571 0.6102 0.6190 0.5807 0.5073 0.5550 0.5991 0.6289 0.5641 0.5626 0.8612 0.8502 0.8632 0.8610 0.8570 0.8609 0.8497 0.8499 0.8490 0.8468 0.5810 0.5461 0.5728 0.3786 0.5491 0.6001 0.5819 0.5003 0.5585 0.5885 0.5435 0.5736 0.5502 0.5895 0.5829 0.6102 0.5662 0.5801 0.6171 0.6291 0.5633 0.6531 0.4508 0.5468 0.7283 0.6060 0.6363 0.3694 0.6009 0.6502 0.5305 0.5550 0.5406 0.5696 0.6089 0.5215 0.6594 0.5625 0.6373 0.7157 0.5736 0.7404 0.6560 0.6444 0.5526 0.6394 0.5710 0.6553 0.6497 0.6944 0.5712 0.6121 0.5842 0.5901 0.6530 0.6264 0.6311 0.6436 0.6207 0.6494 0.6385 0.6230 0.6131 0.6462 0.5982 0.6432 Ketovaline Ketoisovaleric acid 0.7296 0.7403 0.7369 0.7256 0.7443 0.7506 0.7386 0.7493 0.7448 0.7091 0.7229 0.7279 0.7321 0.7328 0.7246 0.7320 0.7372 0.6820 0.7366 0.7319 0.5942 0.4779 0.7451 0.7925 0.7086 0.8549 0.7198 0.6675 0.7297 0.7006 0.4930 0.4800 0.4574 0.4224 0.5213 0.5446 0.4640 0.4344 0.8115 0.4939 0.6136 0.8021 0.8054 0.7859 0.8022 0.7941 0.7822 0.8053 0.7938 0.7927 0.8035 0.8047 0.7904 0.8078 0.7838 0.7877 0.7325 0.7982 0.7019 0.6969 0.6989 0.7017 0.4870 0.5223 0.5894 0.7528 0.4606 0.8026 0.7665 0.6859 0.7910 0.7911 0.7937 0.7904 0.7891 0.4573 0.6559 0.6506 0.7039 0.7980 0.7966 0.7965 0.7506 0.6268 0.8066 0.7927 0.5284 0.5517 0.6137 0.4146 0.7692 0.5821 0.6282 0.4085 0.5172 0.4834 0.7001 0.3963 0.6631 0.4402 0.6004 0.4704 0.6903 0.6259 0.6769 0.6775 0.5543 0.6610 0.5975 0.6886 0.7682 0.8009 0.5400 0.7643 0.7313 0.6818 0.3835 0.6495 0.7528 0.7505 0.5785 0.5326 0.7310 0.5105 0.7638 0.5355 0.5547 0.3838 0.6235 0.5748 0.5793 0.5945 kynurenine_ Kynurenine 0.6502 0.7025 0.7160 0.7170 0.7087 0.6939 0.6990 0.7092 0.7197 0.7048 0.6904 0.6891 0.7115 0.6991 0.6991 0.6805 0.6994 0.7006 0.7036 0.6923 0.5957 0.5055 0.4172 0.4114 0.5094 0.4574 0.4406 0.4144 0.4410 0.4226 0.4534 0.5175 0.6595 0.5779 0.5842 0.5989 0.6167 0.6390 0.6530 0.6598 0.6639 0.4437 0.4786 0.5273 0.4601 0.4725 0.4783 0.4409 0.4697 0.4397 0.4759 0.7406 0.4962 0.4323 0.5591 0.4749 0.4715 0.6531 0.4988 0.4754 0.4933 0.4777 0.4592 0.4295 0.4529 0.4182 0.5430 0.4488 0.4031 0.4917 L_2_Aminobutyric_acid 2S-Aminobutyric acid 0.6757 0.6631 0.6408 0.9489 0.6041 0.6821 0.9488 0.7030 0.7083 0.6238 0.6484 0.7006 0.6797 0.6770 0.6636 0.6430 0.6562 0.7210 0.6644 0.6841 0.7972 0.5302 0.8948 0.7628 0.6455 0.7198 0.6167 0.6382 0.6509 0.6174 0.8822 0.6917 0.4912 0.4650 0.5520 0.6304 0.4831 0.7038 0.5811 0.5375 0.5201 0.7421 0.6286 0.6837 0.9164 0.6649 0.9219 0.6774 0.6810 0.6812 0.9242 0.6661 0.6830 0.9203 0.7088 0.9209 0.6729 0.5956 0.9268 0.5783 0.9275 0.9298 0.9245 0.5798 0.9327 0.9180 0.9207 0.9240 0.6671 0.5918 0.6299 0.6664 0.6916 0.6737 0.6650 0.6910 0.7126 0.6025 0.8943 0.5841 0.6673 0.6921 0.6899 0.8660 0.6429 0.6735 0.6987 0.6614 0.5369 0.6912 0.5775 0.6145 0.9830 0.8844 0.8742 0.6182 0.5858 0.6412 0.8761 0.6517 0.5449 0.9731 0.5591 0.7029 0.6009 0.6464 0.6102 0.8846 0.5103 0.5333 0.5720 0.4891 0.6060 0.4718 0.6935 0.5876 0.6242 0.9838 0.7129 0.6507 0.7166 0.6102 0.8944 0.5930 0.6329 0.6483 0.6747 0.8914 0.7014 0.7042 0.5941 0.7068 0.6853 0.6346 0.5931 0.8822 0.6990 0.8794 0.6829 0.6951 0.6897 0.6982 0.8828 0.6196 0.6947 0.5797 L_5_Oxoproline Pyroglutamic acid 0.6418 0.6443 0.6488 0.6532 0.6552 0.6414 0.6475 0.6661 0.6606 0.6519 0.6266 0.6543 0.6370 0.6526 0.6292 0.6458 0.6479 0.7260 0.6441 0.6328 0.7982 0.5605 0.6372 0.6825 0.5994 0.7291 0.6093 0.6413 0.5962 0.6338 0.6708 0.5292 0.5751 0.5428 0.5729 0.6863 0.6030 0.5978 0.6205 0.5650 0.7466 0.5407 0.9509 0.7339 0.7421 0.7234 0.7337 0.7274 0.7279 0.7454 0.7308 0.7269 0.7436 0.7395 0.7201 0.7394 0.7249 0.7351 0.6038 0.7311 0.5900 0.5864 0.5604 0.5881 0.5919 0.5989 0.5866 0.5899 0.5692 0.6070 0.6505 0.6309 0.6535 0.6416 0.6075 0.6213 0.6458 0.6375 0.5749 0.6550 0.6618 0.6340 0.6476 0.6422 0.6307 0.6069 0.6464 0.6352 0.6797 0.6580 0.6078 0.7070 0.5899 0.6329 0.6997 0.7156 0.6801 0.6125 0.6306 0.6883 0.6312 0.7547 0.5787 0.6962 0.5521 0.6989 0.6092 0.6159 0.6211 0.6963 0.5190 0.5425 0.5453 0.5227 0.5703 0.4908 0.8375 0.5454 0.6026 0.6873 0.5679 0.6031 0.7245 0.6193 0.6889 0.6070 0.6533 0.6706 0.6410 0.6959 0.6449 0.7449 0.6217 0.5891 0.7322 0.6226 0.6001 0.6449 0.6930 0.6265 0.6938 0.7135 0.6917 0.6446 0.6893 0.6540 0.7073 0.5622 Lactose Lactose 0.6446 0.5353 0.5737 0.5612 0.6749 0.5627 0.6656 0.6747 0.5971 0.5405 0.6770 0.6556 0.5829 0.6724 0.6566 0.6456 0.6675 0.6868 0.6637 0.5242 1.0691 0.6850 0.7687 0.8064 0.7685 0.8679 0.7527 0.7508 0.7475 0.8466 0.7566 0.8022 0.6721 0.6478 0.6907 0.8996 0.7442 0.8080 0.7668 0.6530 0.6909 0.7042 0.7401 0.6950 0.6817 0.6677 0.7103 0.6910 0.6698 0.6946 0.7177 0.6767 0.6769 0.6999 0.6784 0.7433 0.6729 0.7041 0.6829 0.7014 0.6587 0.5560 0.6709 0.6733 0.6713 0.6677 0.5529 0.6628 0.5850 0.5766 0.6596 0.6568 0.6750 0.6741 0.6740 0.6827 0.6790 0.6854 0.6839 0.6802 0.6570 0.6566 0.6581 0.6694 0.6923 0.6523 0.6622 0.6885 0.6749 0.6463 0.7265 0.7465 0.7523 0.7863 0.7940 0.7395 0.7310 0.7673 0.7828 0.8335 0.7146 0.9193 0.7834 0.8021 0.7024 0.7247 0.7614 0.7870 0.7204 0.7406 0.5024 0.6941 0.5066 0.5941 0.5509 0.6194 0.9903 0.4996 0.7804 0.8556 0.7843 0.7773 0.8533 0.7571 0.7480 0.7354 0.7607 0.8903 0.7204 0.7355 0.7804 0.7264 0.7732 0.7576 0.7088 0.7257 0.7448 0.7288 0.7249 0.7051 0.7220 0.9134 0.7359 0.7330 0.7284 0.8446 0.7349 0.7536 L_Alanine Alanine 0.7845 0.8304 0.8502 0.8493 0.8308 0.7953 0.8292 0.8428 0.8235 0.8358 0.7351 0.7730 0.7898 0.8380 0.8267 0.8247 0.8162 0.8909 0.8314 0.8253 1.0704 0.7753 0.8858 0.9440 0.7866 1.0354 0.7852 0.9044 0.8968 0.8352 0.8541 0.7755 0.7991 0.7333 0.7583 0.9147 0.7782 0.7957 0.8086 0.7458 0.8249 0.7220 0.8221 0.8695 0.8462 0.8789 0.8283 0.8849 0.8665 0.7932 0.8838 0.8668 0.8132 0.8336 0.8763 0.8916 0.8776 0.7596 0.8999 0.8187 0.9809 0.7536 0.7519 0.9812 0.7546 0.9619 0.7533 0.7433 0.9673 0.7506 0.7588 0.8809 0.7550 0.7693 0.7913 0.8406 0.7831 0.8014 0.8747 0.8092 0.8326 0.7856 0.6425 0.7894 0.7954 0.8757 0.7942 0.7690 0.7996 0.7579 0.8092 0.8670 0.8117 0.8265 1.0028 0.8772 0.8898 0.8199 0.8214 0.8859 0.8896 0.9215 0.6979 0.9799 0.7620 0.8905 0.8300 0.6989 0.8708 0.8915 0.7301 0.7427 0.7006 0.6000 0.7069 0.6118 0.8437 0.7499 0.8916 0.8616 0.7673 0.7103 1.0230 0.9026 0.8943 0.8393 0.9015 0.8849 0.8479 0.8813 0.9596 0.8372 0.7881 0.7133 0.7553 0.7759 0.7525 0.8275 0.8655 0.8271 0.8742 0.9618 0.8754 0.8865 0.8686 0.8439 0.8704 0.7865 L_Ascorbic_acid Vitamin C 1.0302 1.0457 1.0561 1.0496 1.0509 1.0123 1.0495 1.0492 1.0548 1.0395 0.9766 1.0370 1.0108 1.0529 1.0495 1.0460 1.0355 0.9756 1.0641 1.0590 1.0829 0.8277 0.8902 0.9672 0.9038 1.0253 0.8869 0.8930 0.8788 0.8241 0.8981 0.7836 0.8008 0.8139 0.7638 0.9072 0.8170 0.7917 0.8155 0.8237 0.9566 0.8334 0.7670 0.9619 0.9672 0.9530 0.8903 0.9562 0.9542 0.9135 0.9624 0.9450 0.8919 0.9545 0.9485 0.9623 0.9520 0.8797 0.8488 0.8677 1.0196 0.9840 1.0423 1.0269 1.0187 1.0066 1.0556 1.0521 0.9488 1.0422 0.8505 0.8319 0.8331 0.8658 0.8533 0.8630 0.8646 0.8526 0.8057 0.8372 0.8363 0.8304 0.8728 0.8418 0.8622 0.8157 0.8343 0.8738 0.8295 0.8174 0.8009 0.8386 0.7922 0.8202 0.9786 0.8201 0.8220 0.8082 0.7901 0.8720 0.8557 0.9966 0.7733 0.9365 0.7640 0.8291 0.8284 0.8242 0.8696 0.8175 0.6537 0.7574 0.6906 0.6441 0.9520 0.7075 0.8589 0.9745 0.7712 0.7964 1.0085 0.8664 0.8765 0.8664 0.8741 0.9154 0.8660 0.8570 0.9385 0.8086 0.7709 0.7769 0.8368 0.8857 0.8094 0.8402 0.8368 0.9031 0.8460 0.9486 0.8344 0.8597 0.8511 0.8471 0.8321 0.8184 L_Asparagine Asparagine 0.6955 0.4948 0.7345 0.5012 0.6594 0.4807 0.6894 0.6839 0.4552 0.6702 0.5456 0.6598 0.5171 0.5163 0.5160 0.4659 0.6762 0.5130 0.4942 0.7599 0.5246 0.6240 0.6753 0.5495 0.6886 0.5820 0.5896 0.5906 0.5682 0.5972 0.6028 0.5217 0.5042 0.5277 0.6497 0.5599 0.5656 0.4976 0.5300 0.5786 0.4740 0.5838 0.5830 0.5108 0.5674 0.5357 0.5308 0.5517 0.5739 0.5911 0.5623 0.5374 0.5827 0.5362 0.5498 0.5711 0.5638 0.5493 0.7156 0.7121 0.7150 0.7166 0.7132 0.7056 0.7228 0.7116 0.7096 0.7194 0.6284 0.5678 0.5941 0.6225 0.5705 0.6163 0.6169 0.5892 0.4756 0.5946 0.5580 0.5791 0.6184 0.5813 0.5860 0.5748 0.5888 0.6242 0.6116 0.5931 0.5903 0.6366 0.5526 0.5803 0.7206 0.6183 0.6033 0.5674 0.5891 0.6581 0.5662 0.6769 0.5762 0.6571 0.5296 0.5868 0.5637 0.5544 0.5863 0.6382 0.4678 0.6244 0.4608 0.4478 0.4793 0.5143 0.7125 0.4545 0.5756 0.6323 0.5966 0.6254 0.6608 0.5860 0.6084 0.5800 0.5317 0.6124 0.6060 0.6386 0.5397 0.5831 0.5912 0.5921 0.5921 0.5932 0.6123 0.5923 0.6124 0.5879 0.6076 0.5906 0.5933 0.6254 0.6000 0.6005 0.6121 0.5693 lauric_acid Lauric acid 0.5992 0.5936 0.5833 0.5856 0.5913 0.5562 0.5761 0.5658 0.5816 0.5812 0.6094 0.5888 0.5857 0.5875 0.5848 0.5971 0.5802 0.5216 0.5797 0.5984 0.8295 0.4049 0.6262 0.6560 0.7209 0.6860 0.6062 0.6077 0.6253 0.5586 0.5980 0.5449 0.4359 0.6379 0.5651 0.6710 0.5518 0.5593 0.6050 0.6511 0.6920 0.5765 0.6316 0.6977 0.6777 0.6927 0.6686 0.6946 0.6891 0.6990 0.6981 0.6886 0.6735 0.6823 0.6993 0.6746 0.6864 0.6630 0.5773 0.6847 0.5810 0.5658 0.6049 0.5963 0.5991 0.5599 0.5946 0.5933 0.5963 0.5891 0.6338 0.5730 0.5388 0.6792 0.6967 0.6847 0.6888 0.6978 0.6179 0.6983 0.7026 0.5398 0.6793 0.5492 0.6879 0.5545 0.5823 0.6247 0.6811 0.5860 0.6894 0.6304 0.6316 0.5233 0.6631 0.6101 0.7206 0.5383 0.6101 0.5751 0.6356 0.5833 0.6514 0.5735 0.5864 0.6191 0.5249 0.5797 0.5922 0.5829 0.5848 0.4839 0.5800 0.4005 0.5848 0.7236 0.8065 0.6214 0.5283 0.6780 0.6018 0.5824 0.6046 0.6266 0.6131 0.6125 0.7215 0.6705 0.6007 0.5707 0.5497 0.5696 0.5621 0.6038 0.5923 0.7005 0.5709 0.6942 0.6100 0.7005 0.7165 0.7106 0.5276 0.6044 0.5898 Lauroylcarnitine CAR 12:0 0.8278 0.7714 0.8172 0.8120 0.7760 0.9090 0.7762 0.8299 0.8294 0.8142 0.8903 0.8072 0.8800 0.8395 0.7529 0.7724 0.7977 0.9434 0.7806 0.7752 0.9677 0.6731 0.7719 0.8253 0.7750 0.8946 0.7835 0.7784 0.7746 0.7902 0.7585 0.6715 0.6940 0.6875 0.6549 0.7853 0.6917 0.7051 0.7015 0.6951 0.7593 0.6951 0.7678 0.7657 0.7577 0.7630 0.7619 0.7837 0.7589 0.7591 0.7729 0.7544 0.7593 0.7582 0.7642 0.7539 0.7848 0.7665 0.7859 0.7495 0.9333 0.9405 0.9030 0.9283 0.9277 0.9298 0.8002 0.8083 0.9337 0.8649 0.7491 0.7691 0.7735 0.7582 0.7523 0.7499 0.7586 0.7658 0.6963 0.7652 0.7648 0.7840 0.7423 0.7316 0.7501 0.7542 0.7783 0.7536 0.7831 0.7598 0.7460 0.7657 0.6767 0.6634 0.8728 0.7663 0.7665 0.7476 0.7670 0.7606 0.7588 0.9017 0.7055 0.8405 0.6687 0.7532 0.7104 0.7284 0.7740 0.7597 0.6509 0.6708 0.6019 0.6092 0.6127 0.5750 1.0283 0.6331 0.7688 0.8636 0.6896 0.6392 0.8774 0.7734 0.7808 0.7795 0.7780 0.7707 0.7488 0.7718 0.8222 0.6948 0.6810 0.6978 0.7278 0.7696 0.7160 0.7619 0.7498 0.7584 0.7458 0.8276 0.7523 0.7656 0.7641 0.7489 0.7519 0.6725 L_Cysteine Cysteine 0.3790 0.3999 0.3716 0.3524 0.3722 0.3689 0.3538 0.3620 0.3720 0.3757 0.3611 0.3761 0.3631 0.3715 0.3925 0.3525 0.3653 0.3748 0.3675 0.3471 0.7524 0.5365 0.4989 0.5342 0.4951 0.5688 0.4716 0.5124 0.4920 0.5896 0.5727 0.5677 0.5477 0.4996 0.6176 0.6384 0.5873 0.5748 0.5235 0.4393 0.5103 0.4389 0.4304 0.4549 0.4340 0.4294 0.4197 0.4337 0.4368 0.4470 0.4474 0.4390 0.4491 0.4349 0.4210 0.4447 0.4298 0.4372 0.4084 0.3811 0.4053 0.4213 0.4189 0.4027 0.4142 0.3966 0.3999 0.4132 0.4453 0.4393 0.4304 0.4359 0.4189 0.4351 0.4340 0.4522 0.5053 0.4483 0.4233 0.4571 0.4512 0.4189 0.4330 0.4394 0.4471 0.4143 0.4364 0.4448 0.6161 0.5037 0.5244 0.5444 0.5433 0.4943 0.4777 0.5324 0.5623 0.6082 0.5651 0.6610 0.5691 0.6408 0.5224 0.5508 0.5848 0.5478 0.5717 0.5762 0.3905 0.5222 0.3747 0.4108 0.3782 0.4128 0.7636 0.3728 0.5321 0.5672 0.5365 0.5516 0.6026 0.5249 0.5109 0.5256 0.5043 0.6183 0.5687 0.5767 0.6221 0.5488 0.5446 0.5315 0.5417 0.5791 0.4826 0.5754 0.5608 0.5562 0.5472 0.6569 0.5715 0.5697 0.5546 0.5957 0.5511 0.5350 L_DOPA_ DOPA 0.6861 0.7178 0.7200 0.7323 0.7336 0.6986 0.7174 0.7159 0.7336 0.7072 0.5279 0.6941 0.6732 0.7062 0.7287 0.6931 0.6839 0.7016 0.7106 0.7028 0.6859 0.4394 0.7160 0.7549 0.7735 0.8772 0.7657 0.7647 0.7705 0.5039 0.7428 0.4761 0.4315 0.3895 0.4211 0.6177 0.4418 0.5084 0.4828 0.3741 0.7147 0.6671 0.7800 0.7613 0.7707 0.7788 0.7845 0.7508 0.7574 0.7870 0.7180 0.7748 0.7310 0.7674 0.7710 0.7578 0.7468 0.6986 0.7715 0.5758 0.6900 0.6305 0.6317 0.6467 0.6605 0.6730 0.6840 0.6924 0.6967 0.7327 0.7358 0.7333 0.7475 0.7545 0.7627 0.7519 0.7640 0.4687 0.7441 0.7162 0.7289 0.7492 0.7476 0.7708 0.7289 0.7809 0.7495 0.6867 0.5028 0.6021 0.5259 0.5701 0.6948 0.6298 0.4961 0.5752 0.5963 0.6353 0.6940 0.7254 0.4159 0.4422 0.4848 0.6825 0.6760 0.3213 0.4580 0.4911 0.3595 0.4862 0.4198 0.6451 0.4387 0.7575 0.8829 0.5065 0.8861 0.7894 0.7451 0.7776 0.7866 0.5114 0.7174 0.7055 0.7825 0.4556 0.4914 0.4773 0.4659 0.5122 0.5081 0.7621 0.4034 0.5103 0.4198 0.6039 0.5389 0.5556 0.4124 0.5675 0.4425 0.4440 Leucine Leucine 0.6902 0.6844 0.6993 0.6863 0.6818 0.6638 0.6758 0.6782 0.6763 0.6561 0.6411 0.6659 0.6743 0.6969 0.6867 0.6728 0.6836 0.6436 0.6812 0.6779 0.7685 0.5420 0.7448 0.7756 0.7158 0.8120 0.6394 0.6877 0.7097 0.6022 0.7183 0.5754 0.5350 0.5210 0.5397 0.6479 0.6467 0.5851 0.5949 0.5391 0.7671 0.4290 0.6097 0.7567 0.7581 0.7480 0.7554 0.7593 0.7428 0.7572 0.7592 0.7530 0.7540 0.7641 0.7550 0.7684 0.7535 0.7462 0.6936 0.7502 0.6781 0.6855 0.6751 0.6795 0.6859 0.6640 0.5613 0.5614 0.7199 0.6475 0.7590 0.7505 0.7565 0.7435 0.7580 0.7519 0.7480 0.7530 0.4324 0.7617 0.6507 0.7650 0.7514 0.7582 0.7585 0.6771 0.7663 0.7606 0.7636 0.6823 0.6130 0.7027 0.5921 0.5708 0.7865 0.6875 0.7324 0.5916 0.5899 0.6379 0.7233 0.7153 0.6098 0.8307 0.5325 0.5987 0.5999 0.6026 0.6998 0.7578 0.5292 0.6236 0.4701 0.4978 0.5199 0.6692 0.6368 0.6829 0.8018 0.5991 0.6102 0.8028 0.7248 0.7501 0.7158 0.7158 0.6262 0.7177 0.7275 0.7444 0.6858 0.5990 0.6005 0.6266 0.6702 0.5775 0.6232 0.7265 0.7241 0.7255 0.6669 0.7303 0.7503 0.7309 0.6406 0.7151 0.5744 L_Glutamine Glutamine 0.9483 0.7730 0.7245 0.7180 0.6738 0.9458 0.6435 0.9876 0.9918 0.6677 0.7515 0.6620 0.9440 0.7355 0.7488 0.6351 0.7047 0.6637 0.7537 0.8384 0.5876 0.7382 0.7363 0.9346 0.9251 0.6568 0.6868 0.6107 0.5466 0.5480 0.5571 0.7055 0.6675 0.6018 0.6270 0.5653 0.7618 0.5805 0.8591 0.7161 0.7055 0.7058 0.6960 0.7588 0.7138 0.9878 0.7113 0.6734 0.7196 0.7029 0.7579 0.7094 0.6882 0.9738 0.8598 0.6814 0.6167 0.8227 0.7273 0.6178 0.6428 0.5929 0.7045 0.8157 0.6011 0.9568 0.7678 0.7623 0.9537 0.9604 0.9519 0.5586 0.6954 0.6579 0.9650 0.7046 0.6336 0.9753 0.7969 0.7101 0.6844 0.7647 0.6476 0.6521 0.9085 0.6983 0.7818 0.6405 0.6480 0.6874 0.7403 0.8324 0.6546 0.8686 0.6259 0.8171 0.6828 0.6881 0.7958 0.7177 0.7706 0.5714 0.8368 0.5165 0.6973 0.5256 0.8510 0.8411 0.9393 1.0257 0.6522 0.6564 0.7294 0.9069 0.9233 0.7504 0.7285 0.7366 0.9945 0.7178 0.6094 0.6103 0.5564 0.7239 0.7874 0.8136 0.7890 0.8209 0.7270 0.8218 0.7327 0.6630 0.6614 0.8403 0.5764 L_Gulcono_1_4_lactone 0.4505 0.4669 0.4735 0.4888 0.4762 0.4829 0.4548 0.4818 0.4654 0.4888 0.4608 0.4713 0.4205 0.4835 0.4632 0.4634 0.4429 0.4748 0.4916 0.4383 0.6023 0.4288 0.4947 0.5398 0.4526 0.5824 0.4844 0.5043 0.4683 0.5526 0.4287 0.5020 0.4426 0.4066 0.4140 0.6250 0.4457 0.4332 0.4267 0.4289 0.4177 0.4202 0.4208 0.4244 0.4256 0.4544 0.4306 0.4203 0.4140 0.4349 0.4977 0.4547 0.5019 0.4968 0.4061 0.4963 0.4670 0.4681 0.5064 0.4734 0.4378 0.4058 0.4673 0.4285 0.4031 0.4489 0.4194 0.4082 0.4337 0.4434 0.4109 0.4367 0.4303 0.4309 0.5118 0.4796 0.4562 0.5001 0.4946 0.4541 0.4265 0.4923 0.5409 0.6104 0.4221 0.6159 0.5419 0.4215 0.4512 0.4360 0.4790 0.4862 0.4662 0.4339 0.4692 0.3066 0.3657 0.3142 0.4729 0.5798 0.3297 0.4339 0.5152 0.5055 0.4683 0.5496 0.4913 0.4409 0.4384 0.4440 0.5499 0.4188 0.4850 0.5361 0.5332 0.5507 0.5331 0.5106 0.4240 0.4939 0.4745 0.4272 0.4611 0.6335 0.4116 0.4646 0.4391 0.5598 0.4259 0.4894 L_Gulonolactone L-Gulonolactone 0.9276 0.9380 0.9302 0.9233 0.9407 0.9432 0.9319 0.9257 0.9227 0.9173 0.9358 0.9218 0.9347 0.9396 0.9374 0.9291 0.9272 0.9606 0.9373 0.9336 1.0213 0.9086 0.9715 1.0422 0.9737 1.1260 0.9812 0.9744 0.9731 0.9171 0.9685 0.9469 0.8898 0.8868 0.9293 0.8489 0.8820 0.8871 0.9578 0.8902 0.9743 0.8878 1.0185 0.9643 0.9748 0.9282 1.0152 0.9307 0.9554 0.9500 0.9258 1.0219 0.9696 0.9321 1.0216 0.9307 0.9402 0.9639 0.9197 0.9170 0.9229 0.9228 0.9165 0.9224 0.9156 0.9149 0.9174 0.9121 1.0116 0.9642 0.9688 0.9980 0.9971 1.0019 0.9956 0.9854 0.8692 0.9816 0.9597 0.9680 1.0056 1.0034 1.0021 0.9109 0.9771 1.0136 1.0027 0.9512 0.8898 0.9623 0.9873 0.9113 1.0885 0.9625 0.9439 1.0435 0.9158 0.9599 0.9700 0.8979 1.0694 0.9329 0.9597 0.9588 0.9001 0.9665 0.9645 0.9715 0.8871 1.1092 1.4221 0.8774 0.9904 1.0925 0.9959 0.9921 1.1172 0.9864 0.9916 0.9689 0.9766 0.8934 0.9691 0.9668 1.0378 0.9709 0.9978 1.0010 0.9616 0.9608 0.9313 0.9641 0.9582 0.9677 0.9544 0.8911 0.9572 0.9619 0.9532 0.8240 0.9544 0.9353 L_Iditol L-Iditol 0.6606 0.6250 0.6481 0.6918 0.6898 0.6809 0.6754 0.6690 0.7105 0.6051 0.6028 0.6675 0.6838 0.6179 0.6761 0.6521 0.6965 0.6416 0.6847 0.6787 0.7756 0.5805 0.6387 0.6789 0.6245 0.7401 0.6404 0.6170 0.6430 0.6911 0.6220 0.6673 0.5904 0.5430 0.5507 0.7368 0.6324 0.6753 0.6246 0.5534 0.6743 0.5312 0.6349 0.6654 0.6721 0.6619 0.6674 0.6728 0.6677 0.6536 0.6718 0.6732 0.6718 0.6735 0.6683 0.6749 0.6700 0.6768 0.5968 0.6702 0.5745 0.6665 0.5848 0.6650 0.5755 0.5902 0.6702 0.6689 0.6763 0.5680 0.6492 0.6707 0.6762 0.6382 0.6298 0.6627 0.6320 0.6339 0.5412 0.6140 0.6670 0.6157 0.6428 0.6182 0.6608 0.6025 0.5978 0.6407 0.6125 0.5651 0.6526 0.6245 0.6361 0.6883 0.6988 0.6302 0.6097 0.6600 0.6879 0.7478 0.6357 0.7772 0.6531 0.7043 0.5842 0.6508 0.6408 0.6633 0.6417 0.6079 0.6032 0.7463 0.6022 0.6186 0.5807 0.6122 0.9357 0.6156 0.6707 0.7350 0.6691 0.6301 0.7510 0.6719 0.6657 0.6663 0.6666 0.7302 0.6272 0.6311 0.6844 0.6087 0.6530 0.6508 0.6082 0.6051 0.6103 0.6250 0.6135 0.6171 0.6018 0.7378 0.6261 0.6306 0.6191 0.7759 0.6280 0.6300 Linoleic_acid Linoleic acid 0.6707 0.6599 0.6633 0.6711 0.6674 0.6665 0.6612 0.6689 0.6856 0.6675 0.6162 0.6418 0.6587 0.6734 0.6668 0.6748 0.6611 0.6832 0.6705 0.6799 1.1380 0.7343 0.7655 0.8273 0.7695 0.8888 0.7719 0.7736 0.7697 0.8695 0.7708 0.8235 0.7292 0.7375 0.7753 0.9671 0.7023 0.8410 0.8349 0.7350 0.7418 0.7162 0.6634 0.7483 0.7469 0.7424 0.7393 0.7416 0.7432 0.7473 0.7510 0.7435 0.7345 0.7315 0.7475 0.7445 0.7444 0.7501 0.7607 0.7350 0.6665 0.6604 0.6667 0.6677 0.6626 0.6655 0.6584 0.6626 0.6614 0.6610 0.7346 0.7637 0.7708 0.7488 0.7617 0.7498 0.7534 0.6499 0.6414 0.7639 0.7601 0.7686 0.7381 0.7422 0.7616 0.7559 0.7649 0.7434 0.7307 0.7583 0.7474 0.7764 0.8256 0.8593 0.8727 0.7767 0.7817 0.8653 0.8665 0.9583 0.7700 1.0271 0.8235 0.8526 0.7699 0.6682 0.8422 0.8648 0.7729 0.7718 0.5361 0.5391 0.5271 0.6174 0.4843 0.9467 0.5582 0.7720 0.8616 0.8104 0.8230 0.8824 0.7759 0.7766 0.7770 0.7731 0.9292 0.7700 0.6827 0.8293 0.7767 0.8281 0.8061 0.7703 0.7691 0.7803 0.7613 0.7668 0.7717 0.7683 0.9940 0.7710 0.6630 0.7731 0.9100 0.7627 0.7945 Linolenic_acid Octadecatrienoic acid 0.5772 0.5712 0.5564 0.5784 0.5649 0.5727 0.5800 0.5760 0.5958 0.5701 0.5485 0.5734 0.5597 0.5749 0.5777 0.5596 0.5402 0.5612 0.5456 0.5462 0.9305 0.6132 0.5844 0.6294 0.5946 0.6749 0.5791 0.6068 0.5918 0.7101 0.5866 0.6309 0.6066 0.5877 0.6498 0.8197 0.6727 0.6718 0.6984 0.5895 0.6432 0.7172 0.6535 0.6487 0.6363 0.6325 0.6498 0.6376 0.6340 0.6571 0.6549 0.6396 0.6453 0.6367 0.6384 0.6444 0.6527 0.6625 0.6270 0.6489 0.5732 0.6029 0.5640 0.5705 0.5709 0.5827 0.5915 0.5656 0.5724 0.5891 0.6423 0.6318 0.6539 0.6432 0.6279 0.6283 0.6279 0.6472 0.7216 0.6422 0.6231 0.6400 0.6266 0.6432 0.6449 0.6007 0.5883 0.6406 0.6572 0.5865 0.6341 0.5960 0.6029 0.6272 0.6542 0.5458 0.5784 0.6020 0.6126 0.6901 0.5856 0.7912 0.6100 0.6471 0.6343 0.5754 0.6405 0.6470 0.5728 0.5868 0.4246 0.5820 0.4172 0.4431 0.4026 0.5014 0.8583 0.4012 0.5785 0.6573 0.6141 0.6209 0.6304 0.5816 0.5877 0.5603 0.5878 0.7360 0.5991 0.5974 0.6515 0.5995 0.6726 0.6481 0.5893 0.5860 0.5249 0.5966 0.5916 0.6179 0.5855 0.7533 0.5717 0.5747 0.5806 0.7353 0.6106 0.6194 L_Isoleucine Isoleucine 0.8484 0.8544 0.8722 0.8662 0.8639 0.8555 0.8543 0.8681 0.8722 0.8581 0.8149 0.8532 0.8599 0.8634 0.8540 0.8510 0.8520 0.7317 0.8493 0.8432 0.5079 0.7795 0.8235 0.8399 0.7627 0.7346 0.7007 0.8254 0.4655 0.7836 0.4100 0.3741 0.9210 0.7742 0.9200 0.9134 0.9134 0.9081 0.9172 0.9139 0.9086 0.9255 0.9194 0.9067 0.9175 0.9178 0.9134 0.9213 0.8948 0.7941 0.9075 0.8475 0.8303 0.8500 0.8486 0.8396 0.8465 0.8551 0.8494 0.8179 0.8408 0.8753 0.7900 0.7696 0.8628 0.8486 0.8632 0.8626 0.8200 0.5955 0.8083 0.7301 0.7596 0.8762 0.8217 0.8201 0.8026 0.8056 0.8750 0.7792 0.7220 0.3970 0.7389 0.7390 0.7715 0.7311 0.4891 0.7191 0.4404 0.6755 0.3836 0.8102 0.6789 0.7882 0.7283 0.7757 0.7345 0.8342 0.8082 0.8390 0.4510 0.7952 0.6931 0.7465 0.8193 0.8207 0.4610 0.8016 0.7690 0.8912 0.6845 0.8171 0.6983 0.7841 0.7271 0.7627 0.7256 0.7080 lithocholic_acid Lithocholic acid 0.5295 0.4323 0.4435 0.4249 0.4229 0.4215 0.4255 0.4338 0.4488 0.4426 0.4318 0.5295 0.4365 0.4236 0.4086 0.4164 0.4170 0.4208 0.4052 0.4151 1.0564 0.5577 0.7701 0.7874 0.9055 0.7902 0.8498 0.8132 0.5574 0.5181 0.5314 0.8885 0.6461 0.8248 0.5593 0.5398 0.4609 0.4410 0.4297 0.5323 0.5404 0.5792 0.5468 0.5337 0.5954 0.5737 0.4704 0.5347 0.4265 0.4185 0.4396 0.4306 0.4236 0.4386 0.6031 0.4153 0.4402 0.4327 0.4244 0.4152 0.4158 0.4355 0.4220 0.4182 0.4237 0.4586 0.5247 0.5644 0.5263 0.5460 0.5469 0.5548 0.5639 0.5014 0.5533 0.4910 0.4095 0.4771 0.4053 0.5688 0.4111 0.5153 0.5556 0.4359 0.4235 0.6287 0.4854 0.5160 0.5102 0.4551 0.4777 0.5308 0.5358 0.5854 0.6626 0.5244 0.3788 0.5193 0.3977 0.4158 0.4080 0.4551 0.7481 0.3972 0.5057 0.5452 0.5324 0.5270 0.5608 0.4813 0.4957 0.4963 0.4862 0.5838 0.7672 0.7706 0.8106 0.7700 0.8149 0.7975 0.7647 0.7602 0.4820 0.7656 0.7140 0.7408 0.7124 0.8172 0.7195 0.7106 0.7110 0.7906 0.7169 0.7413 L_Leucine Leucine 0.6148 0.6245 0.6559 0.6547 0.6229 0.6388 0.6275 0.6553 0.6264 0.6145 0.6158 0.6206 0.7006 0.6326 0.6326 0.6255 0.6094 0.6309 0.6295 0.6179 1.0472 0.5982 0.6513 0.7071 0.6850 0.8061 0.6978 0.6547 0.6920 0.6172 0.6428 0.6135 0.4965 0.5139 0.5704 0.7707 0.6574 0.6106 0.5965 0.5360 0.6375 0.5300 0.6848 0.6903 0.6606 0.6453 0.6653 0.6370 0.6691 0.6583 0.6625 0.6352 0.6660 0.6635 0.6739 0.6646 0.6562 0.6739 0.6700 0.6357 0.6201 0.6313 0.6157 0.6332 0.6211 0.6199 0.6125 0.6064 0.6198 0.6200 0.6450 0.6794 0.6791 0.6719 0.5950 0.6581 0.6613 0.6454 0.5388 0.6534 0.6517 0.6910 0.6499 0.6766 0.6645 0.6840 0.6372 0.6618 0.6727 0.6596 0.6640 0.6305 0.6370 0.6586 0.7270 0.6364 0.6581 0.6563 0.6462 0.6719 0.6522 0.8352 0.6716 0.7314 0.6183 0.6297 0.6710 0.6955 0.6830 0.6439 0.5590 0.6478 0.5529 0.5505 0.5469 0.5768 0.8586 0.5385 0.6727 0.7658 0.6501 0.6651 0.7595 0.6852 0.6196 0.7012 0.6992 0.7513 0.6384 0.6502 0.7208 0.6016 0.6414 0.6113 0.6419 0.6796 0.6154 0.6224 0.6071 0.6798 0.6571 0.8145 0.6155 0.6552 0.6630 0.7418 0.6449 0.6302 L_Methionine_sulfone Methionine sulfone 0.5648 0.5644 0.5776 0.5855 0.5546 0.5670 0.5669 0.5852 0.5896 0.5703 0.5352 0.5725 0.5578 0.5766 0.5655 0.5461 0.5592 0.6501 0.5595 0.5567 0.8200 0.5421 0.7010 0.7454 0.6962 0.7313 0.6230 0.6678 0.6839 0.8408 0.6798 0.7333 0.5835 0.5080 0.5123 0.8073 0.6311 0.6583 0.6409 0.5150 0.6508 0.5674 0.5904 0.5845 0.5787 0.5841 0.5860 0.5796 0.5832 0.5806 0.5974 0.5870 0.5882 0.5743 0.5867 0.5932 0.5794 0.5851 0.5631 0.5836 0.5541 0.5524 0.5588 0.5582 0.6192 0.5625 0.5562 0.5557 0.6245 0.5511 0.5960 0.5796 0.5753 0.5900 0.5867 0.5999 0.5896 0.5905 0.5849 0.5902 0.5728 0.5866 0.5871 0.5867 0.6002 0.5522 0.5891 0.5979 0.5866 0.5760 0.6203 0.6473 0.8084 0.6343 0.8028 0.6465 0.6371 0.6183 0.6087 0.6663 0.6491 0.7609 0.6367 0.7289 0.5735 0.6126 0.6182 0.6349 0.6596 0.6673 0.3978 0.5893 0.4433 0.4547 0.4350 0.5807 0.7832 0.4350 0.7577 0.7530 0.7073 0.6349 0.7680 0.6868 0.6738 0.6691 0.6775 0.6902 0.6165 0.6859 0.6526 0.7654 0.7255 0.6531 0.6191 0.6127 0.6924 0.6924 0.6232 0.6560 0.6113 0.7319 0.6046 0.7131 0.6090 0.6609 0.6126 0.7501 L_Neg_Mandelic_acid Mandelic acid 0.5856 0.6062 0.6316 0.6206 0.6004 0.5988 0.5886 0.6274 0.6399 0.6115 0.6196 0.6078 0.6154 0.6120 0.5933 0.5892 0.5976 0.6070 0.5912 0.5876 0.8043 0.5520 0.6038 0.6599 0.5977 0.6568 0.5719 0.5746 0.5898 0.6360 0.5683 0.5771 0.5435 0.5502 0.5233 0.6671 0.6194 0.5898 0.5948 0.5302 0.6155 0.5242 0.7796 0.6228 0.6085 0.6193 0.6165 0.6190 0.6109 0.6325 0.6074 0.6116 0.6213 0.5868 0.5731 0.6122 0.5687 0.5503 0.5702 0.5627 0.5580 0.5666 0.5635 0.5657 0.5760 0.5425 0.6060 0.5677 0.6072 0.6036 0.5934 0.5578 0.5701 0.6036 0.6074 0.5461 0.5505 0.5580 0.6072 0.5829 0.5739 0.6283 0.6176 0.6106 0.6338 0.6429 0.6073 0.6027 0.6307 0.6190 0.6919 0.5809 0.7184 0.6095 0.6528 0.5560 0.5965 0.5907 0.6099 0.5917 0.6091 0.4491 0.5430 0.4560 0.4852 0.4549 0.4817 0.8392 0.4573 0.5925 0.6502 0.5964 0.6237 0.6484 0.6007 0.6063 0.5877 0.5905 0.6550 0.5800 0.5927 0.6437 0.5817 0.6003 0.5876 0.5984 0.5574 0.6073 0.5675 0.5912 0.5391 0.5773 0.7156 0.5645 0.6042 0.5974 0.6493 0.6053 0.5547 L_Neg_Phenylalanine Phenylalanine 0.6123 0.6432 0.6504 0.6467 0.6507 0.6346 0.6374 0.6486 0.6545 0.6378 0.6279 0.6289 0.6435 0.6513 0.6401 0.6206 0.6318 0.6161 0.6362 0.6301 0.7419 0.5400 0.6578 0.6915 0.7184 0.8132 0.7031 0.6943 0.7124 0.5883 0.6703 0.5449 0.5386 0.5245 0.5109 0.6472 0.5777 0.5810 0.5447 0.5192 0.6715 0.5390 0.6438 0.7079 0.6998 0.7013 0.7057 0.7058 0.7029 0.7109 0.7200 0.6763 0.7038 0.6788 0.6987 0.6987 0.6972 0.6998 0.6345 0.6995 0.5425 0.6052 0.5775 0.5816 0.5883 0.5964 0.5983 0.6029 0.5940 0.6054 0.6735 0.6616 0.6658 0.6792 0.6779 0.6920 0.6867 0.6866 0.5134 0.6754 0.6511 0.6534 0.6812 0.6742 0.6922 0.5510 0.6551 0.7030 0.6707 0.6315 0.6149 0.6241 0.5690 0.5415 0.7284 0.6390 0.6455 0.5170 0.5571 0.5887 0.6674 0.7732 0.6426 0.7283 0.5696 0.5933 0.6233 0.6664 0.6787 0.6241 0.4721 0.5053 0.4859 0.4219 0.5142 0.4720 0.7433 0.4847 0.7058 0.7979 0.6538 0.6510 0.7995 0.7135 0.6831 0.7166 0.7211 0.6743 0.6686 0.6437 0.7364 0.5294 0.5424 0.5145 0.5192 0.5666 0.4786 0.6885 0.5432 0.5140 0.4937 0.6419 0.5423 0.5683 0.5475 0.6161 0.4789 0.5281 L_Neg_Proline Proline 0.6925 0.6781 0.6723 0.6701 0.6907 0.7289 0.6687 0.6866 0.5583 0.6804 0.7646 0.6898 0.6957 0.7305 0.6817 0.6869 0.6784 0.7811 0.6782 0.6903 0.7445 0.7781 0.7419 0.8708 0.7553 0.7422 0.7496 0.5320 0.7278 0.5058 0.7014 0.8673 0.7581 0.7221 0.7213 0.7230 0.7215 0.7271 0.7599 0.7206 0.6992 0.7240 0.7059 0.7171 0.7105 0.7109 0.7989 0.7232 0.7151 0.6659 0.6788 0.6650 0.6728 0.6784 0.6735 0.6908 0.6920 0.6896 0.6821 0.7647 0.8295 0.8364 0.7726 0.8251 0.7722 0.8022 0.8301 0.5506 0.8094 0.7905 0.8373 0.7670 0.7699 0.7746 0.7289 0.8373 0.7709 0.7922 0.7865 0.7882 0.4606 0.5742 0.8774 0.7767 0.7761 0.5181 0.5672 0.7647 0.5357 0.8649 0.7454 0.5662 0.7818 0.7675 0.6169 0.6076 0.3416 0.5851 0.6288 0.7531 0.8320 0.8523 0.7921 0.7461 0.7725 0.7681 0.7458 0.7528 0.8168 0.6550 0.5542 0.5279 0.4948 0.7783 0.4997 0.7513 0.7894 0.7656 0.7280 0.7649 0.7700 0.7956 0.7421 0.4784 L_Norvaline 2S-Aminopentanoic acid 0.8817 0.8862 0.8949 0.8780 0.8954 0.9052 0.8865 0.9061 0.9095 0.8666 0.8202 0.8913 0.9070 0.8989 0.8833 0.8817 0.8294 0.8372 0.8814 0.8314 1.1035 0.7677 0.8304 0.9096 0.7691 1.0135 0.8960 0.8864 0.7129 0.8596 0.8372 0.7704 0.7918 0.6367 0.7878 0.9461 0.8244 0.8005 0.8120 0.7594 0.9135 0.8173 0.8814 0.9063 0.9166 0.8956 0.9117 0.9015 0.8984 0.9250 0.9061 0.8984 0.9192 0.9078 0.8946 0.9086 0.8995 0.9161 0.7390 0.9108 0.7458 0.7229 0.7305 0.7280 0.7383 0.7481 0.7169 0.7375 0.7229 0.7138 0.9098 0.8726 0.7416 0.8992 0.8997 0.9030 0.8988 0.8978 0.8141 0.7501 0.8651 0.7444 0.9065 0.9050 0.9051 0.7733 0.7485 0.9124 0.9146 0.7140 0.8646 0.8583 0.8394 0.7826 0.9967 0.7446 0.8744 0.8220 0.8696 0.8902 0.8710 1.0130 0.8234 0.9802 0.7995 0.8436 0.8709 0.8237 0.8745 0.8295 0.8406 0.8847 0.8368 0.6158 0.7997 0.7607 1.2453 0.8579 0.8215 0.9043 0.8141 0.7960 1.0075 0.8921 0.9046 0.7373 0.7334 0.8919 0.9021 0.8318 0.7600 0.8502 0.8159 0.7748 0.8910 0.8776 0.8154 0.8948 0.8282 0.8725 0.8622 0.9492 0.8874 0.8130 0.8201 0.8898 0.8414 0.7812 L_Ornithine Ornithine 0.8383 0.8488 0.8449 0.8437 0.8494 0.8132 0.8433 0.8435 0.8455 0.8332 0.8332 0.8413 0.8331 0.8546 0.8488 0.8434 0.8464 0.8019 0.8481 0.8450 0.7939 0.7676 0.8109 0.8714 0.9687 0.8571 0.8558 0.8686 0.8124 0.4398 0.4047 0.8798 0.8257 0.8865 0.8836 0.8824 0.8793 0.8872 0.8891 0.9005 0.8945 0.8834 0.8809 0.8784 0.8850 0.8803 0.8871 0.8877 0.8533 0.8809 0.8158 0.8080 0.8275 0.8274 0.8312 0.8250 0.8175 0.8224 0.7843 0.8186 0.8539 0.8350 0.8134 0.8465 0.8568 0.8585 0.8505 0.8513 0.8345 0.8380 0.8127 0.8569 0.8361 0.8501 0.6320 0.8293 0.8541 0.8145 0.8253 0.3913 0.7875 0.9402 0.8021 0.4934 0.8263 0.9220 0.3960 0.4988 0.8463 0.7875 0.6758 0.4779 0.5000 0.8688 0.9720 0.9801 0.8593 0.8236 0.8730 0.8813 0.8232 0.7575 0.9299 0.8165 0.8361 0.5214 0.6773 0.4610 0.5587 0.6896 0.6785 0.5851 L_Pos_Arginine Arginine 0.8428 0.8368 0.8381 0.8460 0.8343 0.8542 0.8380 0.8366 0.8427 0.8442 0.8509 0.8427 0.8260 0.8506 0.8378 0.8497 0.8256 1.0007 0.8454 0.8545 1.0041 0.6947 0.9563 1.0189 0.9473 1.0948 0.9522 0.9525 0.9494 0.7570 0.9494 0.8185 0.6722 0.7080 0.7237 0.7886 0.7917 0.7374 0.7431 0.6885 0.9121 0.6573 0.9758 0.9295 0.9204 0.9160 0.9234 0.9176 0.9134 0.9319 0.9231 0.9079 0.9205 0.9199 0.9197 0.9160 0.9057 0.9261 0.9496 0.9128 0.8498 0.8490 0.8476 0.8519 0.8490 0.8437 0.8440 0.8403 0.8453 0.8445 0.9101 0.9462 0.9496 0.9208 0.9468 0.9244 0.9361 0.9482 0.7373 0.9462 0.9475 0.7904 0.9200 0.9212 0.9428 0.9141 0.9479 0.9143 0.9138 0.9467 0.7264 0.9546 0.8043 0.7346 1.0637 0.9518 0.7646 0.7356 0.7236 0.8135 0.9417 0.8631 0.7165 1.0379 0.6794 0.9275 0.7448 0.6857 0.9450 0.9486 0.7299 0.9389 0.7200 0.7776 0.7120 0.7975 1.1627 0.7249 0.9537 1.0582 0.7387 0.8111 1.0823 0.9498 0.9557 0.9557 0.9496 0.8142 0.9512 0.9458 1.0133 0.7550 0.7366 0.7071 0.7499 0.9465 0.7558 0.9370 0.9375 0.9533 0.9198 0.8798 0.9366 0.9512 0.9511 0.8184 0.9295 0.7537 L_Pos_Lysine Lysine 0.6703 0.6550 0.6893 0.6810 0.6846 0.6816 0.6756 0.6864 0.6996 0.6763 0.6778 0.6797 0.6918 0.6846 0.6736 0.6630 0.6757 0.6977 0.6767 0.6639 0.9189 0.5314 0.7271 0.7756 0.6559 0.7069 0.7261 0.7226 0.7260 0.7385 0.7114 0.6868 0.5802 0.5474 0.5880 0.7626 0.6522 0.6849 0.6440 0.5698 0.7244 0.5764 0.7079 0.7058 0.7055 0.6989 0.6987 0.6998 0.6984 0.7127 0.7167 0.5464 0.5553 0.7027 0.7020 0.7118 0.7001 0.7122 0.6851 0.4851 0.6576 0.6572 0.6571 0.6594 0.6560 0.6649 0.6536 0.6507 0.6574 0.6528 0.6541 0.6713 0.5501 0.6787 0.6871 0.6899 0.6841 0.5597 0.5928 0.6026 0.6697 0.5542 0.6777 0.6824 0.6912 0.5621 0.5771 0.6923 0.5005 0.6639 0.6630 0.5783 0.6921 0.6918 0.6445 0.7017 0.6987 0.6993 0.7267 0.7691 0.5828 0.8318 0.6940 0.7802 0.5930 0.6422 0.6474 0.7079 0.7038 0.5881 0.5862 0.6150 0.5911 0.5642 0.6122 0.5798 0.8646 0.5987 0.6637 0.8123 0.6820 0.6928 0.8230 0.7356 0.7305 0.6093 0.7331 0.7482 0.7056 0.6368 0.7576 0.6405 0.6877 0.6756 0.6341 0.7000 0.6577 0.7031 0.6982 0.7023 0.6501 0.7391 0.7069 0.7026 0.6950 0.7373 0.6977 0.6781 L_Prolinamide Methionine (S)-S-oxide 0.9428 0.9400 0.9341 0.9338 0.9338 0.9352 0.9326 0.9001 0.9287 0.9323 0.8041 0.9411 0.9406 0.9382 0.9403 0.9425 0.9392 0.9393 0.9398 0.9418 1.0501 0.8342 0.9815 0.9096 1.0151 0.9007 0.8929 0.9065 0.9290 0.9842 0.9901 0.8489 0.8481 0.8591 0.9199 0.8521 0.9286 0.8773 0.8394 0.9721 0.6741 0.9721 0.9712 0.9729 0.9724 0.9699 0.9694 0.9722 0.9751 0.9710 0.9630 0.9734 0.9734 0.9705 0.9600 0.9726 0.9496 0.8615 0.9708 0.7351 0.9236 0.7338 0.7328 0.9252 0.9250 0.7237 0.7261 0.9243 0.9244 0.9389 0.8656 0.9049 0.9285 0.9115 0.9294 0.9201 0.9038 0.7488 0.9179 0.8843 0.8502 0.9384 0.9222 0.9073 0.9729 0.8728 0.9380 0.9128 0.9693 0.8820 0.9959 0.9995 0.9813 0.9436 0.9424 1.0011 0.9690 0.9332 0.9989 0.8819 0.8838 0.9423 0.8864 0.9839 0.9756 0.9834 0.9708 0.9816 0.9717 1.3491 0.9818 0.9166 1.0059 0.9937 0.9934 1.0134 0.8911 0.9072 0.8924 0.9056 0.9508 0.8995 0.9090 1.0607 0.9837 0.9903 0.9890 0.9822 0.8887 0.8318 0.9028 0.9825 0.8810 0.9827 0.9681 0.9813 0.9840 0.9815 0.9599 0.9826 0.9874 L_Rhamnose Rhamnose 0.7432 0.7615 0.7756 0.7627 0.7371 0.7817 0.7408 0.7451 0.7318 0.7620 0.6286 0.7564 0.5581 0.7583 0.7543 0.6759 0.7305 0.7300 0.7324 0.7540 0.9564 0.6399 0.7624 0.8285 0.7516 0.8826 0.7812 0.6130 0.6034 0.6620 0.7793 0.6984 0.5871 0.5314 0.7407 0.8329 0.6670 0.6219 0.8102 0.6702 0.6340 0.5950 0.8055 0.7678 0.7833 0.7716 0.7649 0.6142 0.7504 0.6243 0.7919 0.6239 0.7849 0.7858 0.7749 0.7928 0.7730 0.7814 0.7373 0.6263 0.6921 0.7262 0.6725 0.7437 0.7589 0.6917 0.7562 0.7097 0.7338 0.7484 0.7636 0.5949 0.6153 0.7608 0.7567 0.7330 0.7372 0.7628 0.5976 0.5958 0.7517 0.7618 0.7629 0.7653 0.7682 0.7413 0.7490 0.7698 0.7421 0.7248 0.6654 0.6189 0.6699 0.6557 0.7375 0.7640 0.6236 0.6487 0.6650 0.7026 0.7647 0.8489 0.6730 0.7012 0.7266 0.7480 0.7722 0.7075 0.7606 0.7642 0.5439 0.5974 0.5057 0.5743 0.4616 0.5004 0.8570 0.7421 0.6379 0.7209 0.7396 0.7124 0.8651 0.7734 0.7669 0.6340 0.6326 0.7587 0.7598 0.7620 0.6174 0.6400 0.6870 0.6169 0.7086 0.7633 0.6156 0.7672 0.7601 0.7704 0.7505 0.8856 0.7759 0.7663 0.7436 0.7185 0.7675 0.6164 L_Serine Serine 0.6847 0.6829 0.6937 0.6806 0.6871 0.6805 0.6967 0.6011 0.6894 0.5934 0.7024 0.6802 0.6811 0.6852 0.6366 0.6843 0.6757 0.8121 0.6000 0.5591 0.5931 0.6764 0.7446 0.5602 0.5569 0.6585 0.6171 0.5501 0.5628 0.6130 0.5963 0.5957 0.7260 0.6112 0.5660 0.6340 0.5625 0.6721 0.5368 0.5787 0.6683 0.6652 0.6705 0.6615 0.6691 0.6651 0.6681 0.6693 0.6629 0.6464 0.6717 0.6059 0.6696 0.5255 0.5117 0.5068 0.6564 0.5867 0.5952 0.6034 0.5253 0.5626 0.6105 0.5273 0.6360 0.6231 0.6249 0.5958 0.6424 0.6105 0.5161 0.6471 0.6206 0.5796 0.6166 0.5686 0.6139 0.6532 0.7797 0.5178 0.7307 0.6018 0.5730 0.6129 0.6251 0.6062 0.5737 0.5297 0.6361 0.5038 0.6843 0.4841 0.4622 0.4469 0.5270 0.8366 0.5028 0.6624 0.7305 0.6080 0.6503 0.7538 0.5552 0.6506 0.6614 0.6589 0.6021 0.7043 0.7241 0.6561 0.6191 0.6246 0.5778 0.5715 0.5347 0.6428 0.7310 0.6441 0.5375 0.5548 0.6504 0.5444 0.6442 L_Valine Valine 0.7131 0.7324 0.7230 0.7036 0.7249 0.6738 0.7228 0.7398 0.7342 0.6471 0.6847 0.7131 0.6441 0.7147 0.7081 0.7300 0.7096 0.8239 0.7233 0.7189 0.8185 0.5929 0.7532 0.8236 0.7286 0.8769 0.7393 0.7180 0.7428 0.6451 0.7385 0.5660 0.5963 0.5961 0.5547 0.6318 0.6157 0.5900 0.5854 0.5897 0.7685 0.5827 0.6936 0.7488 0.7620 0.7341 0.7542 0.7397 0.7314 0.6481 0.7435 0.7435 0.7567 0.7565 0.7395 0.7603 0.7349 0.7485 0.7041 0.7521 0.6547 0.6686 0.6502 0.6499 0.6551 0.6535 0.5865 0.6076 0.6622 0.6350 0.6334 0.6862 0.6404 0.6623 0.6660 0.6370 0.6434 0.6861 0.5770 0.6726 0.6756 0.7263 0.6959 0.7077 0.7045 0.7328 0.6547 0.6734 0.7263 0.7152 0.6374 0.6946 0.5864 0.6042 0.7663 0.7392 0.7527 0.6075 0.5897 0.6312 0.7254 0.7150 0.5542 0.8098 0.5360 0.7385 0.5969 0.6071 0.7335 0.7554 0.6124 0.5307 0.5868 0.4990 0.5750 0.4855 0.7737 0.5655 0.7078 0.8273 0.6044 0.5853 0.8264 0.7484 0.7393 0.7563 0.7270 0.6423 0.6756 0.7699 0.7595 0.6636 0.5931 0.5942 0.6948 0.7177 0.6598 0.6625 0.7502 0.6740 0.7650 0.7068 0.7591 0.7457 0.7326 0.6423 0.7362 0.5809 Lysine Lysine 0.8662 0.8855 0.8847 0.8749 0.8892 0.8675 0.8812 0.8862 0.8913 0.8711 0.8681 0.8766 0.8838 0.8903 0.8833 0.8724 0.8815 0.8417 0.8794 0.8738 0.6100 0.6188 0.8047 0.8540 0.8880 0.9949 0.8737 0.8663 0.8884 0.7669 0.8280 0.7325 0.5990 0.6045 0.6430 0.6131 0.4968 0.5738 0.7232 0.6086 0.9083 0.5802 0.8554 0.9108 0.9090 0.9051 0.9050 0.9078 0.9133 0.9272 0.9178 0.9090 0.9081 0.9030 0.9067 0.9053 0.9122 0.9146 0.8661 0.9072 0.8266 0.8359 0.8387 0.8420 0.8396 0.8466 0.8400 0.8441 0.8311 0.8407 0.8767 0.8530 0.8461 0.8748 0.8770 0.8842 0.8766 0.8747 0.4879 0.8639 0.8543 0.8395 0.8816 0.8687 0.8784 0.6530 0.8521 0.8865 0.8508 0.8446 0.5313 0.8056 0.7280 0.7511 0.7974 0.8205 0.5708 0.7530 0.7679 0.5882 0.8410 0.8607 0.7156 0.9401 0.6431 0.6752 0.7109 0.7320 0.8587 0.8196 0.7358 0.7395 0.7790 0.6257 0.7018 0.6456 0.8001 0.7983 0.8856 0.9907 0.7327 0.7319 0.9940 0.8801 0.8544 0.8889 0.8954 0.6084 0.8378 0.8159 0.9402 0.6769 0.5420 0.7065 0.6772 0.8090 0.6883 0.8488 0.6673 0.7259 0.6688 0.5359 0.6728 0.7360 0.6966 0.5627 0.6808 0.6840 Malate Malic acid 0.8379 0.8457 0.7787 0.8019 0.8594 0.8423 0.8566 0.8467 0.8147 0.8626 0.8519 0.8357 0.8307 0.8521 0.8451 0.8510 0.7696 0.8351 0.8540 0.8451 0.9095 0.7524 0.8109 0.8743 0.8235 0.9444 0.8221 0.8218 0.8221 0.6742 0.8152 0.6168 0.7551 0.7581 0.6471 0.7539 0.6916 0.6315 0.6975 0.7549 0.8547 0.7655 0.7441 0.8517 0.8349 0.8539 0.8284 0.8582 0.8483 0.8299 0.8595 0.8530 0.8326 0.8492 0.8587 0.8295 0.8558 0.8358 0.8195 0.8462 0.8708 0.8627 0.8723 0.8703 0.8663 0.8619 0.8670 0.8650 0.8628 0.8659 0.7995 0.8225 0.8137 0.8219 0.8128 0.8193 0.8210 0.8075 0.7361 0.7970 0.7454 0.8266 0.8113 0.8097 0.8196 0.8103 0.8191 0.8104 0.8037 0.8379 0.6785 0.8108 0.6155 0.6341 0.9116 0.8163 0.8118 0.6674 0.7400 0.6516 0.8115 0.7999 0.6549 0.9002 0.6373 0.8060 0.6858 0.6614 0.8163 0.8178 0.7023 0.5746 0.7129 0.5158 0.7462 0.5797 0.8921 0.7240 0.8097 0.9047 0.6300 0.6263 0.9293 0.8197 0.8112 0.8166 0.8176 0.7116 0.8134 0.7904 0.8881 0.7915 0.6597 0.5913 0.8077 0.8193 0.7765 0.8039 0.8026 0.7839 0.8063 0.7879 0.8063 0.8244 0.8208 0.7202 0.8020 0.7009 Maleamic_acid Maleamate 0.7417 0.7326 0.5795 0.7337 0.7386 0.6259 0.7349 0.7406 0.7433 0.7395 0.7567 0.7450 0.7300 0.5959 0.7426 0.7485 0.7342 0.7661 0.6109 0.7547 0.5903 0.4422 0.7058 0.7567 0.7851 0.8779 0.7655 0.7782 0.7783 0.5866 0.7485 0.4658 0.4302 0.3102 0.5377 0.5074 0.4610 0.4944 0.5945 0.5019 0.7717 0.4088 0.7401 0.7813 0.7709 0.7783 0.6909 0.7797 0.7768 0.7780 0.7195 0.7136 0.7707 0.7684 0.7820 0.7615 0.7734 0.7797 0.7805 0.7685 0.7369 0.7216 0.7372 0.7376 0.7294 0.7324 0.7234 0.7314 0.7173 0.7238 0.7648 0.7806 0.7802 0.7707 0.7919 0.7698 0.4562 0.7905 0.6283 0.7775 0.7737 0.7761 0.7656 0.7613 0.7788 0.5990 0.7838 0.7608 0.7502 0.7494 0.5613 0.7398 0.5157 0.5098 0.8557 0.7423 0.6091 0.5650 0.5633 0.5814 0.7475 0.7097 0.5207 0.5990 0.3386 0.5657 0.5816 0.5974 0.7696 0.7506 0.3898 0.4945 0.2986 0.4488 0.4655 0.4247 0.4146 0.7828 0.6521 0.4900 0.5504 0.8785 0.7612 0.7421 0.7812 0.5514 0.5406 0.7440 0.7201 0.8447 0.5657 0.6105 0.5643 0.5454 0.7533 0.5704 0.7557 0.6177 0.6998 0.6010 0.7025 0.6291 0.7168 0.6879 0.5042 0.6513 0.5827 malic_acid Malic acid 0.8459 0.8469 0.8527 0.8571 0.8604 0.8346 0.8509 0.8567 0.8629 0.8489 0.7294 0.8405 0.7907 0.8595 0.8482 0.7828 0.8488 0.7848 0.8550 0.8445 0.7635 0.8444 0.8058 0.8988 0.8547 0.9015 0.7881 0.7785 0.7991 0.7698 0.8422 0.8604 0.5311 0.8311 0.5208 0.7532 0.6301 0.7888 0.5252 0.8405 0.8647 0.5314 0.8290 0.8668 0.8568 0.8592 0.8508 0.8604 0.8588 0.8524 0.8656 0.8627 0.8605 0.8639 0.8632 0.8611 0.8627 0.8500 0.7868 0.8535 0.7020 0.7216 0.8181 0.7050 0.8087 0.8131 0.7037 0.6984 0.8191 0.7045 0.8045 0.6577 0.6766 0.7914 0.7696 0.8102 0.7785 0.7559 0.5376 0.7098 0.7538 0.7125 0.7982 0.7654 0.6232 0.7864 0.7018 0.7971 0.7992 0.7818 0.6504 0.7849 0.8319 0.8391 0.8522 0.7771 0.7830 0.8375 0.8431 0.8754 0.7434 0.7138 0.7658 0.8410 0.5357 0.7807 0.5858 0.7746 0.7586 0.8115 0.7535 0.8392 0.7598 0.7671 0.7402 0.7758 1.1815 0.7649 0.8062 0.8927 0.8621 0.8699 0.8840 0.7917 0.7968 0.7897 0.8074 0.8024 0.8207 0.7690 0.8470 0.8139 0.8264 0.8185 0.7581 0.8168 0.8133 0.7854 0.7501 0.8219 0.6693 0.8242 0.8261 0.8244 0.7745 0.8238 0.8198 Malonate Malonic acid 0.9760 0.9835 0.9963 0.9846 0.9913 0.9843 0.9830 0.9934 1.0007 0.9714 0.9541 0.9874 0.9929 0.9489 0.9807 0.9799 0.9803 0.9623 0.9775 0.9682 0.9827 0.7759 0.8875 1.0114 1.0330 0.9092 0.9034 1.0039 0.8470 0.8149 0.7823 0.8300 0.7559 0.7199 0.8998 0.7183 0.7638 0.7466 0.7554 1.0355 0.7738 1.0244 1.0316 1.0338 1.0178 1.0308 1.0205 1.0230 1.0397 1.0307 1.0235 1.0356 0.8773 0.8601 1.0333 1.0223 1.0356 0.8871 1.0254 0.8627 0.9608 0.8927 0.8845 0.9620 0.9473 0.9696 0.8603 0.8580 1.0220 0.9851 0.9851 1.0071 1.0034 1.0114 1.0043 0.9858 0.7619 0.8708 0.8570 0.9951 1.0180 1.0106 0.9862 0.8522 0.9952 1.0205 0.9757 0.8202 0.7060 0.8888 0.8337 0.7642 1.0666 0.8410 0.8614 0.8164 0.8424 0.9058 0.8106 0.9410 0.7943 1.1147 0.7841 0.8233 0.7892 0.8165 0.8609 0.8284 0.9746 0.7624 0.9729 0.9643 0.6867 0.9345 0.9772 0.9344 1.0150 0.8008 0.7926 1.0276 0.8889 1.0230 0.9111 0.9324 0.8381 0.9289 0.8242 1.0066 0.8380 0.7706 0.7876 0.8107 0.8964 0.8589 0.9221 0.9976 0.8697 0.8023 1.0080 1.0007 0.8268 0.8510 0.8527 0.8067 0.7726 Malonic_acid Malonic acid 1.0451 1.0040 0.8597 0.8531 1.0682 1.0626 1.0598 1.0743 1.0825 0.8559 1.0151 1.0554 1.0608 0.8465 1.0512 1.0484 1.0038 0.9093 1.0042 0.8582 1.0771 0.7346 0.9160 0.8637 1.0057 1.0270 0.9083 0.8977 0.9994 0.8204 0.7406 0.7687 0.6507 0.6936 0.7377 0.8698 0.6398 0.7491 0.7679 0.6787 1.0514 0.7780 0.9192 0.8914 1.0487 0.8734 1.0463 0.8914 0.8903 1.0523 0.8899 0.8847 1.0504 0.9062 0.8679 1.0507 0.8969 1.0496 0.9012 0.8916 0.9490 0.8857 0.9707 0.9602 0.9565 1.0038 0.9232 0.9622 0.8824 0.9311 1.0366 0.9777 0.9972 1.0231 1.0149 1.0250 1.0211 1.0080 0.7308 0.9987 0.8603 1.0088 1.0328 1.0214 1.0217 0.7697 1.0090 1.0369 1.0252 0.8057 0.7373 0.8681 0.8072 0.8158 0.9548 0.7739 0.7447 0.8102 0.8193 0.7500 0.9295 0.7849 0.9058 0.7044 0.8113 0.7785 0.7787 0.8656 0.8132 0.9828 0.7716 0.9818 0.7159 0.9749 0.6968 0.8918 0.9884 0.9271 1.0002 0.7805 0.7513 1.0126 0.8801 0.8144 0.8945 0.9901 0.8375 0.8713 0.8156 1.0689 0.8215 0.7154 0.7333 0.7917 0.8896 0.8021 0.8852 0.8275 0.8618 0.7937 0.9758 0.8269 0.8196 0.8411 0.8230 0.8061 0.7529 Maltose Maltose 0.6967 0.7067 0.7243 0.7251 0.7167 0.7149 0.7068 0.7208 0.7326 0.7172 0.7080 0.7031 0.7249 0.7063 0.7048 0.6828 0.7064 0.7323 0.7048 0.6936 0.9632 0.5827 0.7323 0.7759 0.7237 0.8250 0.7257 0.7261 0.7181 0.7771 0.7075 0.7434 0.5876 0.5310 0.6089 0.8197 0.6051 0.7495 0.7002 0.5659 0.6631 0.5790 0.6835 0.6746 0.6691 0.6588 0.6788 0.6628 0.6658 0.7171 0.6749 0.6630 0.6659 0.6648 0.6649 0.6749 0.6596 0.6782 0.6466 0.6756 0.6826 0.6879 0.6864 0.6862 0.6879 0.6898 0.6769 0.6840 0.6872 0.6826 0.6635 0.6580 0.6702 0.6661 0.6707 0.6710 0.6722 0.6751 0.5379 0.6714 0.6408 0.6581 0.6598 0.6636 0.6808 0.6079 0.6623 0.6828 0.6800 0.6404 0.6281 0.6788 0.7084 0.7617 0.7530 0.6730 0.6746 0.7151 0.7319 0.7624 0.7115 0.8824 0.7480 0.7862 0.6439 0.7127 0.7126 0.7603 0.7160 0.7194 0.5273 0.5879 0.5210 0.5071 0.5429 0.5150 0.6312 0.5370 0.7159 0.8003 0.7491 0.7511 0.8193 0.7201 0.7255 0.7172 0.7175 0.8184 0.7205 0.7210 0.7603 0.7128 0.7548 0.7348 0.7058 0.7250 0.6785 0.7162 0.7079 0.7098 0.7399 0.8403 0.7117 0.7248 0.7090 0.7944 0.7036 0.7253 Maltotriose Maltotriose 0.2853 0.2685 0.2795 0.2943 0.3058 0.2760 0.3107 0.3387 0.3173 0.3305 0.3021 0.2893 0.2942 0.2873 0.3453 0.2768 0.2813 0.2854 0.2833 0.2923 0.6202 0.4778 0.4446 0.4365 0.4319 0.4735 0.4156 0.3705 0.4124 0.4717 0.4110 0.4487 0.4789 0.4156 0.4711 0.5411 0.5121 0.4497 0.4779 0.4732 0.4307 0.5005 0.4564 0.4594 0.4375 0.4287 0.3959 0.4653 0.4341 0.4388 0.4108 0.4334 0.4427 0.4374 0.4322 0.4040 0.4307 0.4415 0.4342 0.4420 0.3119 0.2734 0.2883 0.3031 0.3034 0.2504 0.3222 0.3103 0.3079 0.3135 0.4353 0.3895 0.4024 0.4471 0.4111 0.4242 0.4134 0.4052 0.5322 0.4237 0.4252 0.4150 0.4403 0.3718 0.4273 0.4080 0.4370 0.4365 0.4187 0.4011 0.5357 0.4340 0.4267 0.4689 0.4731 0.4231 0.4413 0.4988 0.4897 0.5633 0.4030 0.5946 0.4609 0.4568 0.4591 0.4135 0.5048 0.4790 0.4068 0.4160 0.2134 0.3144 0.2318 0.2508 0.2121 0.2545 0.4014 0.2306 0.4053 0.4710 0.4470 0.4578 0.4983 0.4104 0.4094 0.4205 0.4406 0.5254 0.4282 0.4054 0.4336 0.4377 0.4692 0.4527 0.4230 0.4346 0.4155 0.4258 0.3852 0.3890 0.4108 0.5792 0.4039 0.3994 0.4054 0.4988 0.4190 0.4378 Mandelate Mandelic acid 0.8013 0.7539 0.8182 0.8080 0.7582 0.7589 0.8245 0.8304 0.7955 0.6830 0.7513 0.7255 0.8120 0.8017 0.7987 0.8061 0.6636 0.8052 0.7932 0.8412 0.4738 0.7035 0.6755 0.7448 0.8222 0.7300 0.6368 0.7335 0.7355 0.6826 0.7032 0.4854 0.5673 0.5841 0.7254 0.4464 0.7355 0.6295 0.5678 0.8439 0.5017 0.7368 0.8369 0.7907 0.8371 0.7859 0.8400 0.8375 0.7851 0.8468 0.8371 0.7865 0.8383 0.8361 0.7862 0.8372 0.7766 0.6915 0.7910 0.6562 0.6480 0.6736 0.6659 0.6500 0.6997 0.6271 0.6623 0.6495 0.6332 0.7741 0.6685 0.6628 0.7678 0.7512 0.7633 0.7586 0.7452 0.5307 0.6622 0.6832 0.6867 0.7730 0.7542 0.7567 0.6358 0.6842 0.7756 0.7371 0.6751 0.5362 0.6506 0.7318 0.6906 0.7448 0.7106 0.7240 0.6722 0.7703 0.6663 0.6179 0.7298 0.7099 0.7323 0.5663 0.7208 0.5978 0.6793 0.6988 0.6208 0.7316 0.6550 0.7335 0.5848 0.7527 0.6376 0.7066 0.7400 0.7491 0.8239 0.7289 0.6987 0.8138 0.7205 0.7081 0.7107 0.7288 0.7384 0.7071 0.6426 0.8076 0.7016 0.6904 0.7094 0.6006 0.7161 0.6671 0.6335 0.6771 0.6855 0.7256 0.7514 0.7345 0.6659 0.6607 0.7488 0.7244 0.6802 mannonic_acid Mannonic acid 0.6010 0.6066 0.6103 0.6002 0.6084 0.4959 0.6037 0.6101 0.6121 0.5979 0.5885 0.6007 0.6394 0.6070 0.5735 0.5935 0.6185 0.6120 0.6074 0.5676 0.6976 0.7376 0.6927 0.8015 0.6946 0.7017 0.6924 0.4986 0.6913 0.5993 0.3956 0.4980 0.5378 0.7026 0.7282 0.7025 0.7033 0.6981 0.6974 0.7015 0.7077 0.7182 0.7037 0.6985 0.6989 0.6992 0.6880 0.7054 0.7051 0.7180 0.6766 0.6966 0.5657 0.5763 0.5962 0.5722 0.5714 0.5689 0.5910 0.5736 0.5795 0.5767 0.6715 0.6730 0.6755 0.6735 0.6791 0.6816 0.6847 0.6830 0.4583 0.6774 0.6675 0.6707 0.6827 0.6748 0.6808 0.6036 0.6641 0.6830 0.6677 0.6675 0.6959 0.6167 0.5681 0.7815 0.6949 0.6891 0.6885 0.7701 0.5118 0.6737 0.6953 0.6904 0.5019 0.5115 0.5039 0.5062 0.7046 0.7728 0.6238 0.5315 0.7906 0.7016 0.7046 0.7001 0.6995 0.6968 0.6842 0.7374 0.5759 0.5417 0.5863 0.6864 0.6182 0.6888 0.6825 0.6920 0.6690 0.6863 0.6899 0.6816 0.6875 0.4743 Melibiose Melibiose 0.5784 0.5855 0.6069 0.6050 0.5910 0.5910 0.5879 0.6003 0.6130 0.5957 0.5784 0.5853 0.5996 0.5914 0.5813 0.5650 0.5857 0.6301 0.5815 0.5757 0.7668 0.5539 0.5136 0.5735 0.6592 0.5276 0.5912 0.5436 0.6150 0.5929 0.5719 0.5451 0.5330 0.5273 0.6530 0.5328 0.5489 0.5683 0.5565 0.5134 0.5816 0.5398 0.5334 0.5327 0.5342 0.5221 0.5350 0.5331 0.5187 0.5257 0.5234 0.5385 0.5423 0.5334 0.5546 0.5279 0.5137 0.5158 0.5068 0.5662 0.5695 0.5725 0.5694 0.5762 0.5745 0.5639 0.5671 0.5726 0.5726 0.5204 0.4871 0.4846 0.5119 0.5174 0.5516 0.5111 0.5638 0.5631 0.5093 0.5123 0.5018 0.4777 0.5320 0.5327 0.5024 0.4892 0.5681 0.5452 0.4834 0.6170 0.5462 0.5205 0.5723 0.5919 0.5294 0.5367 0.5675 0.5705 0.6283 0.5376 0.7074 0.5796 0.6200 0.5447 0.6326 0.5834 0.5617 0.5562 0.5372 0.4410 0.5180 0.5171 0.4765 0.4949 0.4800 0.7074 0.5197 0.5099 0.6562 0.5925 0.5925 0.6246 0.5968 0.5836 0.5678 0.5670 0.6477 0.5652 0.5599 0.5710 0.6020 0.5914 0.5812 0.5135 0.5524 0.5384 0.5676 0.5859 0.5161 0.5405 0.6684 0.5660 0.5335 0.5568 0.5980 0.5282 0.5438 Menaquinone Menaquinone 0.7903 0.7928 0.8122 0.8087 0.8031 0.7969 0.7924 0.8077 0.8205 0.7926 0.7933 0.8653 0.8089 0.8704 0.7949 0.7803 0.7924 0.8027 0.7892 0.7807 1.3601 0.8169 0.9863 1.0545 0.9878 1.1257 0.9881 0.9812 0.9812 1.0681 0.9787 1.0250 0.7593 0.6530 0.8757 1.1840 0.7873 1.0536 0.9774 0.7633 0.8680 0.6042 0.8692 0.8929 0.8675 0.8562 0.9038 0.8570 0.8544 0.9118 0.8930 0.8691 0.8727 0.8727 0.8675 0.8852 0.8683 0.9225 0.8833 0.8983 0.7967 0.7940 0.7984 0.7987 0.7958 0.7996 0.7867 0.7908 0.7962 0.7874 0.8546 0.8051 0.8639 0.8450 0.8601 0.8419 0.8463 0.8730 0.6238 0.8481 0.7812 0.8466 0.7877 0.8399 0.8391 0.7421 0.8171 0.8725 0.8454 0.7733 0.7650 0.8964 0.9338 0.9689 1.0060 0.9012 0.8909 0.9390 0.9730 0.9939 0.9601 1.1912 0.9924 0.7704 0.8972 0.9527 0.9883 1.0218 0.9612 0.9662 0.8625 0.9948 1.0918 1.0055 0.9742 1.1164 0.9857 0.9909 0.9779 0.9827 1.1117 0.9783 0.9683 1.0519 0.9479 0.9454 0.9142 0.9516 0.9660 0.8804 0.9682 0.9675 0.9676 0.9632 1.1574 0.9788 0.9754 0.9531 1.0797 0.9629 0.9722 Mesaconic_acid Mesaconic acid 0.9377 0.9327 0.9349 0.9195 0.9422 0.9575 0.9490 0.9656 0.9620 0.9214 0.8874 0.9459 0.9450 0.9227 0.9167 0.9403 0.9336 0.8429 0.9423 0.9276 1.0364 0.8443 0.7246 0.9227 0.8296 1.0349 0.9000 0.8782 0.8920 0.8024 0.8678 0.7745 0.5332 0.8540 0.7276 0.8511 0.7872 0.7713 0.8420 0.9722 0.9143 0.8449 0.9630 0.9627 0.9441 0.9601 0.9447 0.9484 0.9626 0.9556 0.9602 0.9674 0.9682 0.9471 0.9652 0.9518 0.9584 0.8263 0.9636 0.8862 0.8887 0.8894 0.8875 0.8838 0.8764 0.8977 0.8879 0.8629 0.8916 0.9626 0.8898 0.8876 0.9476 0.8736 0.9459 0.9340 0.8743 0.8677 0.8784 0.8933 0.9020 0.8816 0.8981 0.8948 0.8995 0.8954 0.8741 0.8755 0.8850 0.8400 0.7928 0.7103 0.6498 0.8633 0.8598 0.8195 0.7933 0.8172 0.8574 0.9393 0.6920 0.9631 0.7166 0.8164 0.7671 0.7954 0.7177 0.7541 0.8024 0.8126 0.7272 0.7986 1.1839 0.8295 0.8924 0.9908 0.7251 0.7470 0.9202 0.7516 0.8682 0.8926 0.8960 0.8434 0.8708 0.8554 0.8937 0.8366 0.7595 0.6675 0.8493 0.6665 0.8385 0.8818 0.7194 0.8945 0.8529 0.9175 0.6958 0.8417 0.8670 0.8563 0.7713 meso_Erythritol Erythritol 0.6682 0.6875 0.7196 0.6657 0.6956 0.7131 0.6839 0.7098 0.7221 0.7101 0.6827 0.6988 0.7212 0.7301 0.7209 0.6903 0.7191 0.7212 0.7250 0.6768 0.6397 0.6927 0.6407 0.7363 0.6566 0.6413 0.6348 0.6432 0.5210 0.2786 0.5975 0.6137 0.5697 0.5676 0.5702 0.5757 0.5642 0.6186 0.5982 0.6053 0.5658 0.6117 0.5740 0.5791 0.5792 0.5847 0.5823 0.5631 0.6011 0.6548 0.6885 0.6912 0.6484 0.6415 0.6495 0.6876 0.6908 0.6886 0.6854 0.6189 0.7073 0.5892 0.6043 0.7057 0.6171 0.6019 0.6101 0.4553 0.6945 0.5695 0.6881 0.6788 0.6667 0.6685 0.5002 0.7025 0.6195 0.6030 0.5623 0.6417 0.5116 0.5876 0.6976 0.6222 0.6212 0.5941 0.5774 0.4412 0.6340 0.5337 0.6163 0.5176 0.6513 0.6090 0.4533 0.5035 0.4094 0.4580 0.4447 0.5105 0.5924 0.7175 0.5209 0.5082 0.6805 0.6466 0.5940 0.6471 0.6047 0.6501 0.6478 0.7537 0.5435 0.5765 0.5291 0.5532 0.6967 0.4636 0.6929 0.6778 0.6694 0.4604 0.5992 0.5060 0.6757 0.5403 0.6359 0.4753 Meso_tartarate 0.7259 0.7265 0.6270 0.7307 0.7333 0.7369 0.7283 0.7433 0.7450 0.7317 0.7323 0.7282 0.7412 0.7462 0.7285 0.7178 0.7358 0.7526 0.7262 0.7183 0.9531 0.5646 0.6549 0.6607 0.6290 0.7797 0.6563 0.6885 0.5916 0.6763 0.6496 0.6892 0.6725 0.5656 0.5888 0.7915 0.6405 0.7114 0.5992 0.5682 0.6611 0.5947 0.6832 0.6953 0.6648 0.6867 0.6629 0.6701 0.6448 0.6547 0.6618 0.6950 0.6536 0.6855 0.6492 0.6362 0.6792 0.6951 0.6589 0.6481 0.6753 0.6872 0.6794 0.6774 0.6822 0.6848 0.6738 0.6871 0.6846 0.6785 0.6694 0.6457 0.6491 0.6558 0.6755 0.6987 0.6587 0.6090 0.5942 0.6637 0.6518 0.6195 0.6088 0.6446 0.6588 0.6547 0.5854 0.6594 0.6709 0.6608 0.6736 0.6898 0.7012 0.7417 0.7440 0.6781 0.6638 0.6877 0.7275 0.7794 0.6591 0.8839 0.7016 0.7441 0.6131 0.6457 0.6738 0.7196 0.6556 0.6414 0.5868 0.6682 0.6268 0.5988 0.6028 0.5700 0.9026 0.6164 0.6706 0.7626 0.7164 0.6546 0.7814 0.6756 0.6582 0.6860 0.6956 0.7686 0.6536 0.6320 0.6758 0.6632 0.7101 0.6484 0.6641 0.5818 0.6695 0.5911 0.6379 0.6523 0.5982 0.7435 0.5981 0.6385 0.5856 0.7845 0.5536 0.6851 methanolphosphate Methanolphosphate 0.6811 0.6915 0.7034 0.7184 0.5420 0.7109 0.6915 0.6988 0.6950 0.6828 0.5546 0.7212 0.5303 0.5354 0.5560 0.5270 0.6897 0.5440 0.5214 0.7309 0.4934 0.7541 0.8740 0.8389 0.9261 0.7647 0.8089 0.8064 0.5754 0.7200 0.5704 0.7422 0.5054 0.5275 0.6388 0.5147 0.5583 0.5145 0.4922 0.8180 0.3680 0.6744 0.7996 0.8132 0.7990 0.8204 0.8082 0.8130 0.8358 0.8230 0.7482 0.8368 0.7652 0.7633 0.7930 0.7788 0.8138 0.5621 0.8037 0.6041 0.6718 0.6480 0.6697 0.6702 0.6658 0.6425 0.6242 0.6695 0.6682 0.5989 0.7945 0.7874 0.5951 0.5823 0.8159 0.5951 0.8119 0.4301 0.8310 0.7978 0.7602 0.8273 0.7802 0.7922 0.8134 0.7876 0.5997 0.8112 0.6210 0.5674 0.8343 0.5452 0.5434 0.8536 0.8176 0.6164 0.5346 0.5440 0.6043 0.7631 0.6714 0.5399 0.8414 0.4933 0.8389 0.5661 0.5428 0.7487 0.8264 0.4359 0.4311 0.4936 0.5273 0.7109 0.5187 0.7365 0.9145 0.5266 0.5294 0.9157 0.7979 0.8108 0.7840 0.8023 0.5910 0.7274 0.8225 0.8018 0.7343 0.5397 0.5395 0.7852 0.7214 0.8173 0.7224 0.7834 0.7067 0.8183 0.6474 0.8004 0.8105 0.7740 0.6177 0.8317 0.5224 metharbital Metharbital 0.6754 0.7029 0.6944 0.7139 0.7045 0.7187 0.7023 0.7076 0.6854 0.7034 0.7310 0.6945 0.6994 0.7097 0.7050 0.6999 0.7000 0.7588 0.7033 0.7005 0.5988 0.4460 0.6899 0.7372 0.7549 0.8449 0.7333 0.7435 0.7442 0.7018 0.4237 0.4031 0.3872 0.5094 0.5037 0.4026 0.7204 0.4109 0.6655 0.7425 0.7258 0.7367 0.7265 0.7410 0.7345 0.7385 0.7447 0.7301 0.7304 0.7232 0.7435 0.7276 0.7338 0.7417 0.7300 0.7308 0.6693 0.6735 0.6758 0.6754 0.6727 0.6781 0.6659 0.6720 0.6996 0.6651 0.7162 0.7335 0.7254 0.7244 0.7379 0.7248 0.7297 0.7383 0.5861 0.7299 0.7205 0.7218 0.7181 0.7114 0.7295 0.5758 0.7301 0.7297 0.7519 0.6965 0.5320 0.6966 0.5156 0.5452 0.8267 0.7041 0.6648 0.5472 0.7077 0.5513 0.8097 0.4312 0.6608 0.4562 0.7368 0.7193 0.6250 0.4561 0.5870 0.5578 0.5839 0.7492 0.8273 0.6020 0.4797 0.8309 0.7332 0.7138 0.7477 0.7567 0.7062 0.6974 0.8026 0.5682 0.6106 0.7172 0.4632 0.7245 0.6649 0.7030 0.6466 0.5433 0.6648 0.6943 0.6785 0.5423 0.6512 0.5309 methionine Methionine 0.7128 0.7293 0.7350 0.7373 0.7418 0.7017 0.7252 0.7245 0.7272 0.7352 0.7322 0.7159 0.7279 0.7304 0.7312 0.7263 0.7264 0.7492 0.7237 0.7258 0.7253 0.4088 0.7227 0.7695 0.7366 0.8207 0.7266 0.7895 0.7377 0.5809 0.6943 0.4423 0.6086 0.4274 0.4442 0.4901 0.3972 0.6700 0.5803 0.6969 0.6884 0.6861 0.6833 0.6960 0.6984 0.7148 0.7022 0.6874 0.6936 0.6894 0.6932 0.6912 0.6845 0.6968 0.7135 0.6734 0.7427 0.7299 0.7492 0.7465 0.7442 0.7375 0.7559 0.7474 0.7011 0.7478 0.7444 0.7658 0.7353 0.7306 0.7672 0.7576 0.7522 0.7585 0.4690 0.7563 0.7750 0.7322 0.7576 0.7484 0.7517 0.6819 0.7726 0.7353 0.7187 0.7500 0.4539 0.7521 0.6071 0.6594 0.8169 0.7385 0.7184 0.6453 0.6223 0.6541 0.7139 0.6297 0.5941 0.7899 0.4397 0.6973 0.4759 0.4976 0.7318 0.7179 0.4384 0.6177 0.4341 0.5989 0.3909 0.6192 0.7257 0.8044 0.4866 0.5561 0.8324 0.7105 0.7207 0.7260 0.7379 0.5571 0.7458 0.7157 0.7844 0.5862 0.5187 0.4941 0.5835 0.7142 0.5997 0.7572 0.7021 0.7384 0.6895 0.5253 0.7038 0.7207 0.6927 0.4905 0.6967 0.4860 methionine_sulfoxide Methionine sulfoxide 0.7322 0.7430 0.7383 0.7231 0.7521 0.7324 0.7330 0.7532 0.7518 0.7211 0.7185 0.7421 0.7311 0.7443 0.7407 0.7314 0.7300 0.7151 0.7416 0.7318 0.6125 0.7806 0.8234 0.8093 0.9180 0.7961 0.7887 0.7982 0.7822 0.5559 0.4544 0.4604 0.5158 0.4145 0.8054 0.4646 0.7739 0.8237 0.8224 0.8210 0.8221 0.8274 0.8141 0.8179 0.8338 0.8068 0.8220 0.8051 0.8200 0.8220 0.8232 0.8167 0.7905 0.8167 0.6983 0.7035 0.7083 0.7085 0.7048 0.7079 0.7037 0.7090 0.6928 0.7073 0.7635 0.7596 0.7639 0.7788 0.7819 0.7823 0.7787 0.7861 0.7820 0.7737 0.7486 0.7764 0.7552 0.7852 0.7638 0.7874 0.7493 0.7708 0.5300 0.7892 0.8868 0.7834 0.6580 0.7873 0.5869 0.8573 0.4932 0.7867 0.5989 0.6765 0.7138 0.6716 0.6749 0.7275 0.6218 0.8935 0.9127 0.7981 0.7885 0.8072 0.8099 0.5838 0.7862 0.7542 0.8546 0.7570 0.7881 0.6042 0.7400 0.6561 0.7239 0.7154 0.6447 0.6080 Methyl_4_aminobutyrate Methyl 4-aminobutanoate 0.6712 0.7323 0.7423 0.7271 0.7377 0.7030 0.7202 0.7109 0.7229 0.7209 0.7270 0.7190 0.7071 0.7371 0.7306 0.7314 0.7331 0.6740 0.7352 0.7208 0.7351 0.5494 0.6233 0.6926 0.7361 0.7972 0.6860 0.6675 0.7277 0.5080 0.6389 0.4602 0.5390 0.5145 0.5015 0.5653 0.6090 0.4728 0.5400 0.5272 0.7711 0.4378 0.6948 0.8013 0.7929 0.7844 0.7884 0.7823 0.8006 0.7940 0.7961 0.7885 0.7909 0.7888 0.7709 0.7900 0.7913 0.7804 0.6628 0.8020 0.6531 0.6454 0.6895 0.6744 0.6594 0.6834 0.7528 0.7368 0.6053 0.6715 0.7416 0.6598 0.7429 0.7376 0.7285 0.7821 0.7618 0.7525 0.4457 0.7320 0.6557 0.6680 0.7492 0.7389 0.7385 0.5153 0.6400 0.7459 0.7357 0.6206 0.6297 0.6446 0.5336 0.5434 0.7022 0.6289 0.5821 0.4952 0.5142 0.5602 0.6286 0.6569 0.4752 0.7323 0.5478 0.6057 0.5628 0.5035 0.6686 0.6369 0.5996 0.4490 0.6291 0.4529 0.5604 0.3931 0.6637 0.6796 0.7052 0.7997 0.4900 0.4683 0.7613 0.6762 0.6536 0.7068 0.7232 0.5629 0.6194 0.6379 0.7633 0.5877 0.5235 0.4823 0.5785 0.6534 0.5314 0.6542 0.5879 0.6046 0.5554 0.6067 0.5872 0.6197 0.5435 0.5340 0.5993 0.5106 Methyl_galactoside Methyl beta-D-galactoside 0.7901 0.7996 0.8836 0.7434 0.8185 0.7292 0.8037 0.8087 0.8354 0.8731 0.6660 0.8771 0.7155 0.8369 0.8828 0.8063 0.7895 0.8825 0.8724 0.8687 1.0002 0.8615 0.8321 0.9176 0.7228 0.8084 0.8582 0.8584 0.8558 0.7930 0.8586 0.7686 0.9460 0.8685 0.8977 0.7297 0.8311 0.8318 0.9632 0.8578 0.7660 0.8658 0.8712 0.8656 0.8659 0.7346 0.8603 0.6120 0.7561 0.7545 0.8714 0.8591 0.8645 0.8710 0.8646 0.8636 0.8683 0.7703 0.8535 0.7297 0.8247 0.8652 0.8653 0.8620 0.8656 0.8658 0.8644 0.8659 0.8685 0.7258 0.7093 0.8369 0.8412 0.6934 0.8483 0.7193 0.7020 0.8436 0.8283 0.6222 0.8484 0.8461 0.6544 0.6074 0.6764 0.8488 0.8473 0.6510 0.8394 0.8483 0.8573 0.6636 0.9067 0.8022 0.9629 0.8581 0.6768 0.8146 0.8197 0.7093 0.8526 0.9951 0.8222 0.9440 0.9743 0.8561 0.9624 0.8103 0.8507 0.8533 0.8761 0.5861 0.6747 0.7012 0.6594 0.6615 0.9724 0.6790 0.8715 0.9528 0.8957 0.9205 0.9783 0.8599 0.8668 0.8541 0.8591 0.8543 0.8590 0.7761 0.7044 0.7022 0.8193 0.8908 0.8529 0.7059 0.8603 0.7682 0.8513 0.8551 0.8582 0.8758 0.8560 0.8626 0.8501 0.8391 0.8541 0.8769 Methylglutarate Methylglutaric acid 0.7429 0.7767 0.7954 0.8037 0.7810 0.7683 0.7742 0.7651 0.7823 0.7808 0.7674 0.7373 0.7616 0.7995 0.7869 0.7764 0.7785 0.8641 0.7742 0.7723 0.8498 0.6099 0.7577 0.7949 0.7161 0.8755 0.7636 0.7630 0.7500 0.7291 0.7419 0.6760 0.6346 0.5756 0.6010 0.7154 0.7129 0.6950 0.6254 0.5972 0.8213 0.6197 0.7836 0.8243 0.7797 0.8002 0.7918 0.8329 0.8080 0.7887 0.8302 0.8248 0.7522 0.7738 0.8232 0.7642 0.8247 0.7853 0.7799 0.8191 0.7961 0.7936 0.7973 0.7965 0.7937 0.7837 0.7918 0.7872 0.7958 0.7920 0.7364 0.7750 0.7753 0.7696 0.7737 0.7510 0.7775 0.7748 0.6694 0.7604 0.7545 0.7837 0.7553 0.7699 0.7686 0.7476 0.7857 0.7598 0.7651 0.7564 0.6723 0.7535 0.7268 0.7269 0.8471 0.7470 0.7586 0.7069 0.7142 0.7159 0.7346 0.7853 0.6472 0.8234 0.6012 0.7399 0.7771 0.6344 0.7504 0.7130 0.6514 0.6227 0.6449 0.5907 0.6491 0.5848 0.8630 0.6972 0.7507 0.8279 0.6977 0.6901 0.8632 0.7589 0.7496 0.7527 0.6479 0.6729 0.7561 0.7561 0.7905 0.7125 0.6540 0.7107 0.7219 0.7527 0.7164 0.7576 0.7343 0.7232 0.7415 0.7579 0.7339 0.7537 0.7571 0.6650 0.7444 0.6978 methylhexose_nist 0.5353 0.5946 0.5349 0.5965 0.6039 0.5509 0.5979 0.6040 0.5789 0.5897 0.5398 0.5484 0.5261 0.5584 0.5987 0.5428 0.6040 0.5579 0.5405 0.6011 1.0891 0.7120 0.7611 0.8001 0.7600 0.8550 0.7745 0.7641 0.7763 0.7473 0.7787 0.8356 0.7409 0.7848 0.9803 0.5957 0.8670 0.8435 0.7425 0.7991 0.7344 0.7897 0.6816 0.7930 0.7983 0.7949 0.7820 0.7922 0.8032 0.8096 0.7889 0.7934 0.7894 0.7952 0.7939 0.7886 0.8090 0.7732 0.7986 0.5857 0.5126 0.5241 0.5205 0.5580 0.5163 0.5061 0.5871 0.5808 0.5141 0.7308 0.7387 0.7350 0.7262 0.6379 0.7462 0.7321 0.6386 0.5294 0.7367 0.7132 0.7309 0.7238 0.7334 0.7683 0.7337 0.7109 0.7517 0.5738 0.7417 0.5843 0.7299 0.7818 0.7095 0.8142 0.7311 0.7329 0.8063 0.8229 0.7852 0.7332 0.9636 0.7918 0.8324 0.7221 0.7370 0.7969 0.8063 0.7424 0.7333 0.4956 0.6158 0.4527 0.4994 0.4846 0.5248 0.8080 0.4889 0.6292 0.8740 0.8136 0.8286 0.8819 0.7831 0.7825 0.7851 0.7751 0.9169 0.7371 0.7352 0.7909 0.7427 0.7002 0.7822 0.7364 0.7314 0.7355 0.7303 0.7581 0.7609 0.7638 0.9646 0.7613 0.7668 0.7551 0.7627 0.7864 Methylmalonate Methylmalonic acid 0.8893 0.8902 0.8957 0.8812 0.8961 0.8967 0.8856 0.6212 0.9020 0.8641 0.8870 0.8937 0.9091 0.9037 0.8867 0.8851 0.8927 0.8767 0.8853 0.8777 0.9909 0.7132 0.9613 1.0249 0.7481 0.8109 0.8203 0.7709 0.7620 0.9205 0.8303 0.6450 0.7439 0.7031 0.7104 0.8466 0.8706 0.7603 0.7483 0.6571 0.9716 0.7430 0.9998 0.9661 0.9681 0.9559 0.9624 0.9535 0.9623 0.9773 0.9667 0.9633 0.9686 0.9712 0.9549 0.9656 0.9613 0.9715 0.7272 0.9598 0.6339 0.6566 0.6408 0.6406 0.6387 0.6662 0.6686 0.6621 0.6592 0.6289 0.9544 0.9265 0.9259 0.9406 0.9428 0.9488 0.9407 0.9385 0.6961 0.9295 0.7663 0.9333 0.9511 0.9505 0.9440 0.7399 0.9370 0.9515 0.9526 0.7348 0.8891 0.9716 0.7812 0.8786 0.8925 0.7811 0.9123 0.7730 0.8989 0.9905 0.7800 0.8997 0.6775 0.8944 0.8442 0.9457 0.7681 0.6363 0.6760 0.9557 0.7349 0.7496 0.6621 0.6535 0.7440 0.6731 1.1053 0.6729 0.7591 0.8526 0.7569 0.7489 0.8934 0.7474 0.7838 0.7410 0.7474 0.8200 0.7962 0.8082 0.8021 0.9115 0.7506 0.8045 0.8740 0.8008 0.8023 0.7851 0.9339 0.7418 0.8913 0.8828 0.9183 0.8445 0.9107 0.8132 0.9468 0.7746 Methylmalonic_acid Methylmalonic acid 0.8574 0.7502 0.8723 0.6838 0.7529 0.8612 0.7497 0.7642 0.7421 0.8510 0.8312 0.7493 0.8514 0.8695 0.7530 0.7421 0.7451 0.8182 0.7449 0.8554 0.9727 0.6487 0.8675 0.9229 0.8655 0.9798 0.8559 0.8576 0.8669 0.8406 0.8476 0.6115 0.6194 0.5752 0.6672 0.7864 0.6657 0.7610 0.7063 0.6259 0.8644 0.6541 0.9741 0.8818 0.8826 0.8719 0.8774 0.8774 0.8649 0.8846 0.8874 0.8611 0.7889 0.8689 0.8731 0.8821 0.7645 0.8819 0.8696 0.8705 0.7232 0.7193 0.8410 0.7252 0.7227 0.7251 0.7239 0.8384 0.7101 0.8352 0.8460 0.9261 0.9381 0.8549 0.8564 0.8566 0.6826 0.9241 0.9404 0.8680 0.7713 0.9486 0.8464 0.7709 0.6435 0.8550 0.7393 0.9500 0.8519 0.8508 0.6120 0.7529 0.8394 0.8728 0.9295 0.6525 0.8380 0.7148 0.7726 0.8457 0.8457 0.8575 0.5815 1.0319 0.7723 0.8620 0.8537 0.9730 0.8598 0.7636 0.8647 0.7315 0.8547 0.9224 0.6714 0.6923 0.8517 0.8486 0.8494 0.7836 0.8744 0.8533 0.8561 0.8498 0.7564 0.8440 0.7052 methyltetrahydrophenanthrenone 0.7313 0.7339 0.7343 0.7350 0.7371 0.6370 0.6384 0.7313 0.6296 0.6435 0.7857 0.7331 0.7834 0.7360 0.7295 0.7425 0.7295 0.7364 0.6279 0.6489 1.1842 0.7743 0.7997 0.8520 0.7973 0.9173 0.7987 0.7973 0.8001 0.9015 0.7918 0.8487 0.7634 0.7744 0.8029 1.0045 0.7493 0.8690 0.8660 0.7722 0.7923 0.7741 0.7548 0.7978 0.7912 0.7909 0.7920 0.7908 0.7884 0.7797 0.8000 0.7898 0.7920 0.7932 0.7923 0.7842 0.7905 0.7942 0.7970 0.7811 0.7449 0.7352 0.7456 0.7451 0.7386 0.6688 0.7402 0.7396 0.6425 0.7339 0.7566 0.7755 0.7744 0.7640 0.7645 0.7610 0.7659 0.7649 0.7235 0.7617 0.7710 0.7830 0.7631 0.7547 0.7650 0.7714 0.7746 0.7620 0.7644 0.7668 0.7767 0.7910 0.8417 0.8747 0.8857 0.7944 0.7934 0.8810 0.8914 0.9690 0.7869 1.0636 0.8503 0.8707 0.8019 0.7886 0.8748 0.8798 0.7922 0.7913 0.6540 0.7364 0.6513 0.7116 0.6631 0.6570 1.0669 0.6598 0.7997 0.8868 0.8442 0.8476 0.9069 0.8031 0.8004 0.8018 0.8031 0.9655 0.7877 0.7890 0.8546 0.7925 0.8429 0.8309 0.7877 0.7859 0.7948 0.7824 0.7797 0.7879 0.7884 1.0249 0.7920 0.7937 0.7900 0.9373 0.7890 0.8163 Methylthioadenosine Methylthioadenosine 0.6291 0.6382 0.6540 0.6646 0.6488 0.6366 0.6396 0.6371 0.6500 0.6486 0.5931 0.6353 0.5795 0.6539 0.6423 0.6193 0.6287 0.6371 0.6289 0.6205 0.8900 0.6249 0.7274 0.7720 0.6979 0.8248 0.6858 0.7002 0.6672 0.6843 0.6797 0.7607 0.6473 0.6431 0.6262 0.8371 0.7311 0.7500 0.7200 0.6347 0.6427 0.6926 0.6064 0.6613 0.6471 0.6380 0.6618 0.6445 0.6293 0.6337 0.6571 0.6363 0.6406 0.6430 0.6422 0.6562 0.6481 0.6493 0.6440 0.6428 0.6193 0.6367 0.6325 0.6312 0.6257 0.6293 0.6143 0.6318 0.6434 0.6296 0.6333 0.6258 0.6239 0.6247 0.6368 0.6352 0.6254 0.6472 0.6924 0.6183 0.6067 0.6260 0.5819 0.6153 0.6469 0.5743 0.6253 0.6432 0.6214 0.5825 0.7276 0.6358 0.6223 0.6526 0.6716 0.6656 0.6073 0.6094 0.6623 0.6984 0.6973 0.7961 0.6258 0.7077 0.6095 0.6132 0.6665 0.6439 0.6430 0.6763 0.6032 0.6755 0.6180 0.5140 0.6149 0.5605 0.9932 0.6176 0.6479 0.7385 0.6412 0.7475 0.7668 0.6513 0.6647 0.6661 0.6392 0.7145 0.6496 0.6898 0.7056 0.7328 0.7411 0.7098 0.7075 0.6789 0.5787 0.7120 0.7040 0.6492 0.6869 0.7991 0.6901 0.6776 0.6759 0.7488 0.6685 0.6948 Mevalonate Mevalonic acid 0.6595 0.6674 0.6469 0.6674 0.6626 0.6572 0.6614 0.6529 0.6811 0.6540 0.6612 0.6555 0.6638 0.6629 0.6578 0.5174 0.6568 0.6744 0.9501 0.6071 0.7546 0.8035 0.7433 0.8648 0.7474 0.7521 0.7456 0.7298 0.7435 0.7004 0.6273 0.6269 0.6205 0.7896 0.5774 0.6944 0.6981 0.6233 0.7081 0.5892 0.7387 0.7232 0.7170 0.7145 0.7175 0.7166 0.7126 0.7228 0.7184 0.7105 0.7156 0.7170 0.7235 0.7191 0.7116 0.7216 0.7419 0.7098 0.4605 0.4251 0.4574 0.4558 0.6788 0.4544 0.4473 0.6699 0.4225 0.6758 0.6956 0.7354 0.7373 0.7079 0.7262 0.7114 0.7209 0.7276 0.6185 0.7248 0.7316 0.7392 0.7118 0.7075 0.7195 0.7176 0.7350 0.7047 0.7043 0.7275 0.6232 0.7335 0.7055 0.6985 0.8322 0.7419 0.7439 0.6770 0.7123 0.7210 0.7366 0.8554 0.6795 0.8119 0.6367 0.7380 0.7092 0.7010 0.7444 0.7419 0.3868 0.5551 0.3979 0.5339 0.5936 0.5208 0.6428 0.4178 0.7407 0.8280 0.7019 0.7147 0.8514 0.7496 0.7495 0.7508 0.7468 0.7603 0.7392 0.7446 0.7913 0.7050 0.6876 0.6941 0.7206 0.7393 0.5362 0.7312 0.7377 0.7449 0.7360 0.8318 0.7363 0.4951 0.7439 0.7355 0.7323 0.6962 Myoinositol Myo-inositol 0.8313 0.8382 0.8443 0.8363 0.8534 0.8424 0.8394 0.8504 0.8569 0.8313 0.8415 0.8365 0.8465 0.6530 0.8367 0.8293 0.8394 0.8438 0.8349 0.8266 1.2846 0.8431 0.8796 0.8140 0.8793 0.8317 0.8772 0.8761 0.8735 0.9866 0.8734 0.9357 0.8392 0.8441 0.8761 1.0814 0.8307 0.9509 0.9505 0.8403 0.8920 0.8400 0.8804 0.7225 0.8891 0.8789 0.8855 0.8808 0.8801 0.8893 0.8933 0.8804 0.8870 0.8851 0.8819 0.8876 0.8854 0.8873 0.8613 0.8842 0.8176 0.8119 0.6294 0.8175 0.8163 0.8203 0.6323 0.8077 0.8148 0.6246 0.8653 0.8478 0.8548 0.8580 0.8597 0.8660 0.8615 0.8623 0.7989 0.8591 0.8555 0.8521 0.8675 0.8590 0.8654 0.8513 0.8524 0.8722 0.8521 0.8552 0.8512 0.8809 0.9280 0.9598 0.9820 0.8714 0.8734 0.9498 0.9738 0.8786 0.8604 1.1562 0.9282 0.9560 0.8745 0.8778 0.9564 0.9653 0.8657 0.8695 0.5264 0.5537 0.5668 0.8254 0.7906 0.7907 1.2534 0.5724 0.8830 0.9712 0.9335 0.9361 0.9966 0.8795 0.8832 0.8743 0.8751 1.0298 0.7378 0.8731 0.9410 0.8859 0.9266 0.9204 0.8770 0.8673 0.8837 0.8673 0.8685 0.8696 0.8751 1.1154 0.8724 0.8746 0.8657 1.0118 0.8720 0.9004 Myricetin Myricetin 0.4782 0.4697 0.4710 0.4494 0.3947 0.4676 0.4592 0.4564 0.4661 0.4610 0.4160 0.4672 0.4419 0.4722 0.4541 0.4520 0.4653 0.4849 0.4640 0.4625 0.8615 0.5903 0.5473 0.5761 0.5443 0.6471 0.5821 0.5116 0.5340 0.6503 0.5152 0.6416 0.6002 0.5664 0.5684 0.6695 0.6530 0.6491 0.6226 0.5733 0.5187 0.6104 0.5335 0.5263 0.5245 0.4835 0.5326 0.5079 0.5105 0.5199 0.5198 0.5382 0.4906 0.5282 0.5211 0.5299 0.5256 0.5209 0.5206 0.5224 0.4430 0.4560 0.4436 0.2978 0.4617 0.4656 0.4528 0.4370 0.4759 0.4517 0.5158 0.4919 0.5158 0.5156 0.5014 0.5131 0.5065 0.5092 0.6059 0.4921 0.4954 0.5093 0.5093 0.5151 0.5140 0.4987 0.5162 0.5209 0.5030 0.4988 0.6666 0.5163 0.5555 0.5819 0.5762 0.5139 0.4875 0.5745 0.5889 0.6724 0.5191 0.7478 0.5513 0.5862 0.5845 0.4665 0.6231 0.6259 0.5359 0.5422 0.4304 0.5706 0.3329 0.5251 0.4275 0.4969 0.8456 0.4236 0.5508 0.5679 0.6156 0.5694 0.5444 0.5305 0.5477 0.5288 0.7195 0.5246 0.6424 0.6032 0.6093 0.6729 0.6399 0.5837 0.5395 0.5104 0.5635 0.5290 0.5625 0.6352 0.7222 0.6473 0.5006 0.5509 0.6805 0.6322 0.6294 Myristic_acid Myristic acid 0.5981 0.5675 0.5720 0.5711 0.5788 0.5830 0.5761 0.5765 0.5850 0.5765 0.5591 0.5924 0.5641 0.5958 0.5799 0.5779 0.5741 0.5861 0.5776 0.5715 1.2128 0.7122 0.7702 0.8812 0.6688 0.7531 0.6476 0.7858 0.6415 0.9834 0.7616 0.8596 0.7476 0.7022 0.7090 0.8825 0.7982 0.8197 0.7402 0.6979 0.6636 0.5914 0.6344 0.6401 0.6306 0.6514 0.6321 0.6428 0.6368 0.6340 0.6441 0.6483 0.6343 0.6408 0.6492 0.6392 0.6379 0.6386 0.6027 0.6350 0.5937 0.5649 0.5848 0.5802 0.5888 0.5748 0.5701 0.5674 0.5651 0.5573 0.6343 0.5939 0.6062 0.6087 0.6057 0.6176 0.6011 0.6134 0.5478 0.6107 0.5975 0.6145 0.6074 0.6124 0.6214 0.5956 0.6109 0.6158 0.5970 0.5873 0.9233 0.8455 0.8558 0.8782 0.7228 0.7988 0.8403 0.8917 0.8949 0.8806 0.7778 0.9840 0.8814 0.7865 0.8065 0.8622 0.8186 0.9222 0.6551 0.8328 0.4228 0.7570 0.4270 0.7676 0.6393 0.7495 1.0090 0.4172 0.7422 0.7553 0.9124 0.9156 0.8711 0.6921 0.8113 0.6774 0.6796 1.0048 0.7692 0.8209 0.7487 0.8606 0.9024 0.8995 0.8198 0.6304 0.8366 0.6365 0.7907 0.6210 0.8087 1.0075 0.8026 0.8037 0.7811 0.8328 0.8533 0.8571 N_Acetylaspartate N-Acetylaspartic acid 0.6892 0.6966 0.6955 0.7261 0.7132 0.8196 0.6884 0.7133 0.6935 0.7122 0.6673 0.6905 0.8397 0.7041 0.6967 0.6936 0.6957 0.9559 0.6955 0.6915 0.8395 0.5963 0.7014 0.7916 0.7044 0.8617 0.6239 0.7478 0.7348 0.6538 0.7411 0.6505 0.5707 0.5999 0.5926 0.6955 0.5659 0.6407 0.6254 0.5965 0.6763 0.5967 0.6755 0.7259 0.7095 0.7207 0.7099 0.7281 0.7164 0.7081 0.7270 0.7185 0.7145 0.7005 0.7239 0.7084 0.7249 0.6976 0.7278 0.7107 0.7355 0.7410 0.7188 0.7410 0.7460 0.7136 0.6641 0.6616 0.7309 0.7112 0.6684 0.7274 0.7295 0.6823 0.7109 0.6883 0.7095 0.6795 0.6202 0.7050 0.7361 0.7294 0.6872 0.6933 0.6957 0.6873 0.7140 0.6631 0.7025 0.7126 0.6370 0.7130 0.6524 0.6644 0.7950 0.7316 0.7334 0.6473 0.6474 0.6864 0.7105 0.7510 0.6354 0.8045 0.5898 0.7201 0.6224 0.6437 0.7167 0.7278 0.6216 0.6854 0.6032 0.5509 0.5912 0.4686 0.8342 0.5947 0.6598 0.7929 0.6541 0.6423 0.8225 0.7366 0.7463 0.7377 0.7329 0.6898 0.6877 0.7474 0.7720 0.6449 0.6371 0.6389 0.6819 0.7263 0.6525 0.6808 0.6973 0.7345 0.6630 0.7291 0.6870 0.7294 0.7349 0.6721 0.7192 0.6366 N_Acetyl_D_glucosamine N-Acetyl-D-glucosamine 1.0001 1 1 1 1 1.0019 1 1.0002 1 1 1 1.0003 0.9478 1 1 1 1.0001 1 1 0.8977 1.0855 0.8604 1.0002 1.0012 1.0001 1.0349 0.9142 0.8956 0.9232 0.9418 1.0006 1.0011 0.8741 0.8729 0.8838 0.9024 0.8686 0.9357 0.9070 0.8624 0.9972 1 1.0008 1 0.9841 1 0.9804 1 1 1.0016 1 0.9909 0.9840 0.9852 1 0.9877 0.9932 1.0009 0.8828 1.0001 0.8372 0.8436 1 1 0.8333 1 0.8244 1 0.8367 1 0.9547 1.0006 0.9186 0.9634 0.9464 0.9529 0.9538 1 0.7445 0.9014 0.8994 0.9164 0.9587 0.9577 1 1.0001 0.9274 0.9929 0.9943 1.0003 0.8980 1.0002 1.0016 1.0031 1.0091 1.0002 1.0001 1.0043 1.0040 1 1.0005 1 0.9403 1.0093 0.9088 1.0001 0.9105 0.9488 0.8928 0.9219 0.8739 1.0006 1 0.9995 0.9999 0.9997 1.3701 1 0.9239 1.0142 1.0008 1.0006 1.0200 1.0010 0.9156 0.8993 1.0003 0.9567 1.0011 0.9178 1.0006 1.0005 1.0014 1.0007 1.0002 0.9031 1.0001 0.9227 1.0003 0.8926 1 1 1.0001 1.0001 1.0001 0.9649 1.0001 0.9652 N_Acetyl_D_glucosamine_6_phosphate N-Acetyl-glucosamine 6-phosphate 0.3483 0.3142 0.3022 0.3314 0.3138 0.3234 0.3362 0.6184 0.6888 0.6851 0.7615 0.6159 0.6480 0.6568 0.5044 0.3323 0.4279 0.3509 0.3291 0.3974 0.4608 0.4825 0.5165 0.5020 0.5215 0.4847 0.5240 0.4148 0.4650 0.4597 0.5862 0.6134 0.6222 0.3911 0.4588 0.5058 0.5385 0.4124 0.6391 0.5898 0.5520 0.6377 0.2869 0.3955 0.2902 0.3253 0.2928 0.3327 0.5326 0.3056 0.7456 0.4024 0.4051 0.7743 0.6720 0.6453 0.6658 0.6761 0.4136 0.6553 0.6325 0.4267 0.3975 0.5934 0.6428 0.3839 0.3969 0.4000 0.4303 0.5596 0.4072 N_Acetyl_DL_Valine 0.6800 0.6766 0.6830 0.6684 0.6234 0.6466 0.6769 0.6946 0.6914 0.6510 0.6544 0.6935 0.6548 0.6805 0.6726 0.6707 0.6808 0.6353 0.6747 0.6739 1.0625 0.6730 0.7239 0.7789 0.6831 0.8077 0.7003 0.7185 0.6860 0.8237 0.7069 0.7667 0.6314 0.6343 0.2802 0.8938 0.5568 0.7856 0.7715 0.6563 0.6611 0.4706 0.6737 0.6335 0.6322 0.6379 0.6259 0.6492 0.6312 0.6284 0.6417 0.6376 0.6248 0.6087 0.6312 0.6168 0.6449 0.6377 0.5883 0.6414 0.5679 0.6228 0.5512 0.5530 0.5649 0.5726 0.5536 0.5484 0.5354 0.5522 0.6257 0.6512 0.6680 0.6430 0.6437 0.6433 0.6661 0.6729 0.4817 0.6733 0.6492 0.6461 0.6398 0.6319 0.6550 0.6819 0.6563 0.6240 0.6549 0.6059 0.8062 0.7410 0.7900 0.8156 0.8019 0.7336 0.7478 0.8113 0.8267 0.8646 0.7175 0.9648 0.7824 0.7806 0.7334 0.7328 0.8154 0.8118 0.7027 0.7306 0.5024 0.5208 0.5221 0.4749 0.5302 0.4714 0.5430 0.7054 0.7771 0.7774 0.7887 0.8116 0.7062 0.7320 0.7055 0.6890 0.8722 0.7080 0.7277 0.7236 0.7486 0.7895 0.7705 0.7406 0.6960 0.7637 0.6947 0.7167 0.6796 0.7185 0.9238 0.7233 0.7177 0.7140 0.8536 0.7072 0.7614 N_acetyl_D_mannosamine N-Acetyl-mannosamine 0.5170 0.4836 0.4988 0.4993 0.4981 0.4952 0.4853 0.5000 0.4817 0.4875 0.4871 0.5247 0.5095 0.5443 0.5248 0.4747 0.4905 0.5140 0.4899 0.5103 0.7997 0.5206 0.6025 0.6350 0.5998 0.6807 0.6081 0.6154 0.5980 0.6803 0.5909 0.6241 0.5298 0.4741 0.5498 0.7529 0.5301 0.6202 0.5763 0.5153 0.6231 0.5217 0.5804 0.5649 0.5087 0.5700 0.5592 0.5625 0.5801 0.5693 0.5842 0.5739 0.5729 0.5614 0.5764 0.5631 0.5819 0.5488 0.5398 0.5130 0.5105 0.4882 0.4886 0.5138 0.4817 0.5048 0.5061 0.5144 0.4837 0.5173 0.5053 0.5279 0.5168 0.5099 0.5270 0.5090 0.4665 0.4878 0.4126 0.4346 0.4939 0.5078 0.5317 0.4477 0.5292 0.5219 0.5074 0.4797 0.5702 0.5842 0.5845 0.6255 0.6326 0.5715 0.5639 0.6330 0.6819 0.7476 0.5631 0.7272 0.6640 0.6279 0.5287 0.5218 0.5841 0.6371 0.5648 0.5643 0.4303 0.6089 0.4208 0.4522 0.3779 0.5987 0.7547 0.4355 0.6018 0.6679 0.6315 0.6368 0.6895 0.6208 0.6034 0.5995 0.6035 0.7175 0.5615 0.5582 0.6009 0.5682 0.6176 0.5873 0.5515 0.5644 0.5598 0.5507 0.5227 0.5494 0.5453 0.7172 0.5530 0.5758 0.5110 0.6512 0.5560 0.5734 N_acetylgalactosamine N-Acetyl-D-galactosamine 0.6334 0.6311 0.6294 0.6291 0.6367 0.6442 0.6158 0.6405 0.6386 0.6181 0.6299 0.6325 0.6428 0.6452 0.6259 0.6115 0.6343 0.6502 0.6288 0.6224 1.2203 0.7042 0.7622 0.8794 0.7140 0.8108 0.7043 0.7714 0.6655 0.9830 0.7473 0.8573 0.7373 0.6954 0.7042 0.8777 0.7668 0.8050 0.7354 0.6798 0.7145 0.5849 0.6640 0.6696 0.7073 0.6972 0.6994 0.7021 0.7020 0.7234 0.7083 0.6944 0.7310 0.6943 0.6884 0.7047 0.7041 0.7158 0.6739 0.6929 0.6136 0.6034 0.6128 0.6234 0.6098 0.6130 0.6009 0.6130 0.6019 0.5981 0.7111 0.6827 0.7082 0.6977 0.7169 0.7039 0.7213 0.7182 0.6131 0.6994 0.6919 0.6806 0.7220 0.6925 0.7149 0.6567 0.6956 0.7141 0.6801 0.6873 0.8826 0.8337 0.8371 0.8698 0.7775 0.7860 0.8251 0.8800 0.8880 0.8951 0.7686 0.9832 0.8700 0.8261 0.7964 0.8572 0.8065 0.9076 0.7212 0.8168 0.5767 0.7227 0.5828 0.7505 0.5834 0.7195 0.9685 0.5865 0.7754 0.8325 0.9168 0.9218 0.8781 0.7481 0.8079 0.7422 0.7525 1.0001 0.7417 0.8107 0.7731 0.8553 0.9044 0.9024 0.8061 0.6824 0.8214 0.6858 0.7634 0.6612 0.7937 1.0019 0.7861 0.7922 0.7674 0.8301 0.8481 0.8552 n_acetylglutamate N-Acetylglutamic acid 0.5962 0.5538 0.6077 0.6041 0.6048 0.5812 0.5691 0.5792 0.6018 0.5902 0.5894 0.5744 0.6184 0.6098 0.5954 0.5925 0.5620 0.5682 0.5970 0.5878 0.8996 0.5324 0.6193 0.6608 0.6273 0.7033 0.6024 0.6117 0.6275 0.6730 0.6213 0.5461 0.5822 0.5655 0.5392 0.6643 0.5563 0.6521 0.5908 0.5734 0.6379 0.5604 0.7359 0.6516 0.6374 0.6479 0.6283 0.6504 0.6430 0.6327 0.6517 0.6408 0.6327 0.6333 0.6495 0.6447 0.6453 0.6283 0.6103 0.6344 0.5109 0.5361 0.5434 0.5374 0.5428 0.5408 0.5008 0.5806 0.5299 0.5326 0.6154 0.6147 0.6217 0.6216 0.5937 0.6231 0.6331 0.5986 0.5023 0.5665 0.6030 0.6028 0.6128 0.6040 0.6070 0.6165 0.6074 0.6264 0.5494 0.5910 0.6004 0.6219 0.6210 0.6887 0.7040 0.6102 0.7897 0.6352 0.6802 0.7010 0.6127 0.8133 0.5635 0.6674 0.5371 0.8119 0.6597 0.6729 0.6216 0.6130 0.4636 0.6624 0.4968 0.5333 0.5172 0.5114 0.7356 0.5348 0.6132 0.6869 0.6258 0.6509 0.7118 0.5908 0.6157 0.6118 0.6138 0.7328 0.6043 0.6190 0.6746 0.8419 0.6421 0.6347 0.8290 0.6122 0.6319 0.5843 0.8055 0.6187 0.7956 0.7034 0.8029 0.6104 0.7777 0.6852 0.6017 0.6162 N_Acetylleucine N-Acetylleucine 0.5030 0.4935 0.5147 0.5125 0.5053 0.5151 0.5089 0.5007 0.5304 0.4979 0.5199 0.5037 0.5119 0.4823 0.4970 0.4914 0.5122 0.5239 0.5034 0.5073 0.8374 0.6025 0.5601 0.5743 0.5644 0.6258 0.5575 0.6021 0.5543 0.6088 0.5331 0.5995 0.6548 0.5847 0.5847 0.6938 0.7288 0.5872 0.6277 0.6380 0.5782 0.6995 0.5982 0.5874 0.5838 0.6088 0.5843 0.5570 0.5389 0.5657 0.5747 0.5866 0.5904 0.5926 0.5784 0.5780 0.5955 0.5763 0.6001 0.5795 0.4949 0.4862 0.4827 0.4897 0.4931 0.4929 0.4882 0.5002 0.5293 0.5008 0.6305 0.5508 0.5313 0.5295 0.5619 0.5659 0.5804 0.5422 0.6775 0.5642 0.5709 0.5855 0.5835 0.5555 0.5571 0.5810 0.5225 0.5639 0.5733 0.6037 0.6591 0.5362 0.5612 0.6372 0.5833 0.5531 0.5274 0.5910 0.6050 0.6695 0.5382 0.7397 0.5984 0.5860 0.5867 0.5323 0.6181 0.5959 0.5393 0.5209 0.3998 0.5714 0.4023 0.4467 0.4166 0.4827 0.8717 0.3916 0.5512 0.6091 0.5415 0.5772 0.5958 0.5624 0.5398 0.5475 0.5470 0.6214 0.5357 0.5775 0.5852 0.5440 0.5981 0.5804 0.5539 0.5259 0.5358 0.5447 0.5481 0.5206 0.5209 0.7320 0.5229 0.5566 0.5271 0.6338 0.5466 0.5683 N_Acetyl_L_glutamine N-Acetylglutamine 0.5486 0.5390 0.5582 0.5711 0.5687 0.5638 0.5551 0.5582 0.5787 0.5449 0.6201 0.5760 0.6169 0.5769 0.5536 0.5495 0.6069 0.5254 0.5517 0.5310 0.4645 0.6023 0.4227 0.4524 0.4454 0.4783 0.4812 0.4420 0.4385 0.4017 0.4749 0.5621 0.5350 0.5532 0.5569 0.5465 0.5638 0.5417 0.5425 0.5063 0.5443 0.4073 0.4290 0.4915 0.4498 0.4481 0.4966 0.4686 0.4629 0.4709 0.4340 0.4421 0.3807 0.5169 0.4523 0.4350 N_Acetylmethionine N-Acetylmethionine 0.5591 0.5691 0.5720 0.5683 0.5786 0.5750 0.5895 0.5957 0.5879 0.5909 0.8359 0.5433 0.8124 0.5557 0.5396 0.5589 0.5542 0.6062 0.5718 0.5731 0.5434 0.6358 0.6917 0.6136 0.7201 0.5747 0.6209 0.6093 0.6131 0.5071 0.5343 0.5329 0.5247 0.5520 0.6550 0.4941 0.4996 0.6018 0.4940 0.5882 0.5441 0.5557 0.6470 0.5497 0.5558 0.5516 0.5681 0.5522 0.5608 0.5532 0.5403 0.5662 0.5688 0.5049 0.5271 0.5380 0.5442 0.5545 0.5431 0.5557 0.5478 0.5389 0.5564 0.5441 0.5742 0.5368 0.5989 0.6342 0.5839 0.5803 0.5475 0.6291 0.5902 0.6265 0.6061 0.6174 0.5970 0.6160 0.6397 0.6056 0.6196 0.6726 0.5473 0.6025 0.6830 0.4838 0.6611 0.5351 0.6107 0.6105 0.4794 0.6889 0.5030 0.4528 0.5133 0.5973 0.8157 0.5253 0.5439 0.6777 0.6556 0.6954 0.6193 0.5396 0.6067 0.6148 0.6158 0.5829 0.6388 0.6080 0.6407 0.5961 0.6360 0.6115 0.5709 0.6255 0.5938 0.6378 0.6168 0.6080 0.6569 0.5662 N_Acetylneuraminic_acid N-Acetylneuraminic acid 0.7245 0.4275 0.4220 0.4331 0.6016 0.5464 0.4431 0.5881 0.6053 0.4849 0.4067 0.7203 0.4005 0.4227 0.4210 0.4555 0.7827 0.4630 0.4197 0.8004 0.4652 0.6474 0.6688 0.7205 0.6532 0.6539 0.7010 0.6781 0.6016 0.6162 0.5151 0.4849 0.4721 0.6976 0.5825 0.6214 0.5615 0.5006 0.4824 0.4476 0.5021 0.5623 0.4348 0.5743 0.4903 0.4546 0.5719 0.5155 0.5041 0.5654 0.3794 0.4845 0.5745 0.4711 0.5758 0.5060 0.5647 0.5958 0.7148 0.5877 0.6006 0.5745 0.5652 0.5410 0.5907 0.7347 0.5992 0.5029 0.4936 0.5107 0.4993 0.4963 0.4968 0.4928 0.5117 0.4806 0.4616 0.4316 0.4746 0.4265 0.4713 0.5201 0.4316 0.4990 0.5041 0.4951 0.4200 0.6342 0.5243 0.5222 0.5788 0.5725 0.5297 0.5148 0.5551 0.6074 0.6191 0.5785 0.7174 0.6344 0.6373 0.5337 0.5429 0.5688 0.5923 0.5809 0.5983 0.5658 0.5805 0.5879 0.5034 0.5612 0.5734 0.6226 0.6238 0.6329 0.7136 0.6127 0.6195 0.6913 0.6502 0.6397 0.6281 0.7018 0.5416 0.5797 0.5918 0.6109 0.5915 0.5492 0.5809 0.5120 0.5885 0.5487 0.5581 0.5486 0.6262 0.5809 0.5889 0.5534 0.6363 0.5401 0.5796 N_acetylornithine N-Acetylornithine 0.6299 0.6613 0.6554 0.6459 0.6708 0.6788 0.6556 0.6746 0.6755 0.6440 0.7264 0.6450 0.6965 0.6539 0.6503 0.6343 0.6608 0.7235 0.6549 0.6437 0.6300 0.5873 0.6373 0.7330 0.8488 0.7206 0.7059 0.7412 0.6446 0.4106 0.3750 0.4104 0.4345 0.4328 0.6530 0.6576 0.6904 0.6863 0.6745 0.6968 0.6795 0.6896 0.7238 0.6937 0.6589 0.6986 0.6664 0.6723 0.6911 0.6739 0.7176 0.6128 0.6845 0.5388 0.6260 0.5612 0.5666 0.5892 0.5763 0.6210 0.6066 0.6140 0.6298 0.7056 0.7497 0.7349 0.7306 0.7534 0.7398 0.7482 0.7569 0.7278 0.7193 0.7353 0.7195 0.7275 0.7503 0.4271 0.7440 0.7238 0.7128 0.6948 0.4564 0.5646 0.4755 0.4868 0.6791 0.5909 0.4919 0.5113 0.5328 0.6573 0.7126 0.7012 0.5868 0.4257 0.4165 0.3247 0.3658 0.3555 0.4017 0.6900 0.8321 0.5266 0.8163 0.7326 0.6740 0.7619 0.7508 0.5317 0.6133 0.6099 0.7326 0.4970 0.5034 0.5021 0.4990 0.5885 0.4635 0.6878 0.4702 0.4842 0.4731 0.4455 0.5450 0.4757 0.5305 0.4533 N_Acetylputrescine N-Acetylputrescine 0.6614 0.7029 0.6944 0.7139 0.7045 0.7187 0.7023 0.7106 0.6795 0.7050 0.7310 0.6945 0.6994 0.7097 0.7050 0.6999 0.7068 0.7588 0.7033 0.7005 0.6499 0.4460 0.6899 0.7372 0.7549 0.8449 0.7333 0.7435 0.7442 0.7018 0.4488 0.4031 0.3872 0.5094 0.5037 0.4704 0.3846 0.7204 0.4109 0.6807 0.7425 0.7258 0.7367 0.7265 0.7410 0.7345 0.7385 0.7447 0.7301 0.7304 0.7232 0.7435 0.7276 0.7338 0.7417 0.7300 0.7308 0.6693 0.6735 0.6758 0.6754 0.6727 0.6794 0.6684 0.6720 0.6030 0.6651 0.7162 0.7335 0.7254 0.7244 0.7379 0.7248 0.7297 0.7383 0.5861 0.7299 0.7205 0.7218 0.7181 0.7114 0.7295 0.5758 0.7301 0.7297 0.7519 0.6965 0.5320 0.6966 0.5156 0.5452 0.8267 0.7041 0.6648 0.5472 0.7077 0.5513 0.8097 0.4312 0.6608 0.4562 0.7368 0.7193 0.6250 0.4561 0.5870 0.5722 0.6244 0.7492 0.8273 0.6020 0.4797 0.8309 0.7332 0.7138 0.7477 0.7567 0.7062 0.6974 0.8026 0.5682 0.6106 0.7172 0.4632 0.7245 0.6649 0.7030 0.6466 0.5433 0.6648 0.6943 0.6785 0.5423 0.6512 0.5309 N_Acetylserine N-Acetylserine 0.9251 0.9406 0.9633 0.8439 0.9449 0.9054 0.9444 0.9478 0.9557 0.9404 0.8716 0.9384 0.9079 0.9519 0.9350 0.9318 0.9356 0.9098 0.9409 0.9292 1.0450 0.7517 0.8558 0.8988 0.8911 0.9955 0.8783 0.9138 0.8828 0.8186 0.8540 0.7588 0.8172 0.7670 0.7860 0.8745 0.8600 0.7780 0.7574 0.7452 0.9299 0.7473 0.8782 0.9331 0.9248 0.8837 0.9183 0.8892 0.9268 0.9178 0.9395 0.9324 0.9242 0.9259 0.8878 0.9208 0.8893 0.9117 0.8779 0.9242 0.8334 0.8239 0.8290 0.8337 0.7775 0.8386 0.8668 0.7834 0.8051 0.8429 0.9028 0.8564 0.8433 0.8968 0.8844 0.8970 0.8918 0.8772 0.7502 0.8610 0.8204 0.8519 0.9062 0.8795 0.8818 0.8198 0.8703 0.9028 0.8797 0.8114 0.7996 0.8499 0.7688 0.8105 0.9984 0.8472 0.8617 0.8003 0.7701 0.8685 0.8841 0.9473 0.7378 0.9810 0.7013 0.7990 0.7683 0.7889 0.8943 0.8416 0.7773 0.7938 0.7930 0.6382 0.7851 0.6285 1.0325 0.8097 0.8934 0.9807 0.7494 0.7522 0.9794 0.8590 0.8609 0.8589 0.8916 0.8394 0.8817 0.8508 0.9539 0.7455 0.7296 0.7552 0.7258 0.8612 0.7555 0.8690 0.8033 0.8536 0.8103 0.9860 0.8830 0.8579 0.8477 0.7969 0.8403 0.7453 N_alpha_Acetyl_L_Lysine N(2)-Acetyllysine 0.4695 0.4549 0.4673 0.4724 0.4698 0.4701 0.4779 0.4698 0.4805 0.4689 0.7480 0.4665 0.5162 0.4827 0.4764 0.4611 0.4729 0.4844 0.4652 0.4598 0.6129 0.4460 0.6327 0.6929 0.6606 0.7743 0.6462 0.6285 0.6436 0.5128 0.6112 0.4651 0.4595 0.4301 0.4458 0.5323 0.4695 0.4645 0.4272 0.5084 0.5324 0.5259 0.5169 0.5252 0.5326 0.5213 0.5189 0.5506 0.5261 0.5010 0.5226 0.5110 0.5229 0.5233 0.5134 0.5344 0.5002 0.5351 0.4554 0.4582 0.4655 0.4630 0.4478 0.4708 0.4499 0.4669 0.4560 0.4626 0.5081 0.5312 0.5404 0.5395 0.5479 0.5494 0.5508 0.5718 0.5038 0.5372 0.5102 0.5215 0.5355 0.5204 0.5437 0.5272 0.5537 0.5521 0.4848 0.5150 0.5508 0.4495 0.4987 0.6021 0.5382 0.4318 0.4491 0.4521 0.5099 0.6016 0.5836 0.4750 0.6857 0.4864 0.4400 0.5009 0.4847 0.6225 0.6282 0.3914 0.3857 0.3585 0.4419 0.6159 0.6993 0.4644 0.4706 0.6968 0.6210 0.6067 0.6265 0.6245 0.5562 0.6046 0.6358 0.6810 0.4246 0.4762 0.4716 0.4132 0.6444 0.4222 0.6458 0.5473 0.6273 0.3993 0.5591 0.5757 0.6058 0.6057 0.4737 0.4161 0.4664 N_alpha_Acetyl_L_ornithine N-Acetylornithine 0.6239 0.6272 0.6310 0.6362 0.6328 0.6430 0.5971 0.6282 0.6479 0.6275 0.7448 0.6276 0.7381 0.6426 0.6204 0.6196 0.6258 0.6459 0.6332 0.6085 0.4726 0.6012 0.6666 0.6425 0.7300 0.6913 0.6230 0.6976 0.5524 0.6001 0.5667 0.4660 0.4607 0.4512 0.3095 0.4691 0.4166 0.6317 0.6232 0.6378 0.6913 0.6298 0.6308 0.6168 0.6276 0.6463 0.6413 0.6189 0.6063 0.6872 0.6189 0.6936 0.6927 0.7015 0.5899 0.6984 0.5837 0.5725 0.5879 0.5887 0.5791 0.5795 0.5739 0.5833 0.5747 0.5801 0.6878 0.6092 0.6851 0.6948 0.6208 0.6879 0.6246 0.6985 0.4836 0.6165 0.5919 0.5660 0.6853 0.6124 0.6261 0.3652 0.6135 0.6356 0.6216 0.6437 0.5723 0.6150 0.5704 0.5896 0.6790 0.6025 0.5793 0.5867 0.5909 0.5636 0.6020 0.5353 0.5792 0.6718 0.4956 0.5827 0.5761 0.6104 0.6117 0.5137 0.5030 0.3856 0.5315 0.5581 0.6461 0.7075 0.6484 0.6500 0.7088 0.6235 0.6173 0.6453 0.6409 0.6693 0.5944 0.6182 0.6651 0.3550 0.6327 0.6315 0.5388 0.5919 0.5465 0.6044 0.5524 0.6316 0.5313 0.5805 0.5939 0.5723 0.3080 0.5860 0.3478 N_Alpha_AcetylLysine N(2)-Acetyllysine 0.6819 0.6628 0.6345 0.6613 0.6700 0.7340 0.6630 0.6878 0.7001 0.6626 0.6947 0.6706 0.6958 0.6740 0.6644 0.6566 0.6420 0.7863 0.6582 0.6529 0.6885 0.4662 0.7210 0.7899 0.7268 0.8806 0.7970 0.7860 0.7601 0.5161 0.7328 0.5310 0.4614 0.4103 0.4635 0.6191 0.5219 0.5822 0.4931 0.4448 0.7242 0.7919 0.7232 0.7084 0.7112 0.7032 0.7126 0.7120 0.7577 0.7171 0.7134 0.7213 0.7068 0.7120 0.7070 0.7123 0.7442 0.6911 0.7212 0.6360 0.6582 0.6435 0.6562 0.6549 0.6561 0.6502 0.6343 0.6670 0.6413 0.7420 0.7879 0.8118 0.7841 0.7966 0.7823 0.7955 0.8061 0.5020 0.7909 0.7615 0.7789 0.7748 0.7708 0.7846 0.5904 0.7856 0.7719 0.7858 0.7497 0.5197 0.6860 0.5369 0.5444 0.7810 0.6839 0.6022 0.4672 0.5452 0.6048 0.7276 0.6264 0.5216 0.8398 0.5881 0.4939 0.7759 0.7496 0.5453 0.5542 0.4819 0.6336 0.7717 0.8775 0.8841 0.7679 0.7816 0.7944 0.7546 0.5509 0.7119 0.7500 0.8138 0.4797 0.5137 0.4801 0.4769 0.6925 0.4826 0.7515 0.6084 0.6419 0.5388 0.6071 0.6565 0.6411 0.5542 0.6403 N_carbamoylaspartate_ N-Carbamoylaspartic acid 0.7299 0.7311 0.7386 0.7386 0.7410 0.7405 0.7326 0.7459 0.7520 0.7231 0.6437 0.7382 0.6496 0.7467 0.7331 0.7292 0.7366 0.7410 0.7344 0.7262 0.8526 0.5813 0.8227 0.8805 0.8219 0.9398 0.8246 0.8197 0.8234 0.7236 0.8078 0.6418 0.5501 0.5447 0.6038 0.7921 0.6113 0.6355 0.6632 0.5623 0.8396 0.4974 0.8174 0.8171 0.8203 0.8077 0.8226 0.8074 0.8141 0.8269 0.8273 0.8121 0.8213 0.8185 0.8057 0.8247 0.8143 0.8233 0.7824 0.8168 0.7107 0.7241 0.7154 0.7163 0.7091 0.7213 0.7103 0.7154 0.7169 0.7102 0.8010 0.7715 0.7804 0.7977 0.7899 0.7953 0.7863 0.7868 0.5539 0.7845 0.7689 0.7799 0.7911 0.7863 0.7946 0.7199 0.7786 0.8045 0.7808 0.7633 0.6747 0.7990 0.6046 0.6415 0.8879 0.7947 0.7889 0.6117 0.6777 0.6824 0.7999 0.8348 0.7061 0.8890 0.6352 0.7422 0.7322 0.7070 0.7997 0.8012 0.8120 0.5944 0.8018 0.5745 0.8178 0.5099 0.6885 0.8156 0.8198 0.9192 0.7235 0.7301 0.9235 0.8332 0.8288 0.8171 0.8308 0.7643 0.8008 0.7941 0.8633 0.6879 0.6659 0.6921 0.6847 0.8024 0.6396 0.7993 0.7964 0.7966 0.7373 0.8141 0.8054 0.7981 0.7970 0.7355 0.7930 0.6628 N_Carbamoyl_L_Aspartic_acid N-Carbamoylaspartic acid 0.6727 0.6727 0.8038 0.6837 0.8040 0.6855 0.6744 0.6857 0.6942 0.7925 0.5928 0.6798 0.5963 0.8062 0.6753 0.7823 0.6762 0.8080 0.7952 0.6722 0.7696 0.5835 0.7836 0.8362 0.7822 0.8939 0.7820 0.7796 0.7815 0.7034 0.7640 0.6447 0.5669 0.5233 0.5342 0.7340 0.6160 0.6033 0.4643 0.5465 0.7685 0.4880 0.7643 0.7674 0.7598 0.7540 0.7649 0.7514 0.8617 0.7697 0.7673 0.7504 0.7621 0.7559 0.7441 0.7638 0.8629 0.7683 0.7275 0.7574 0.7755 0.6693 0.6646 0.6632 0.6641 0.6657 0.6572 0.6618 0.6675 0.6568 0.7397 0.7235 0.7327 0.7418 0.7385 0.7440 0.7328 0.7422 0.4840 0.7375 0.7121 0.8359 0.7297 0.7368 0.7472 0.6611 0.7315 0.7528 0.7343 0.7088 0.6297 0.7514 0.6510 0.6228 0.8466 0.7512 0.7427 0.6359 0.6609 0.6922 0.7613 0.7244 0.5909 0.8438 0.5633 0.6876 0.6193 0.6173 0.7585 0.7595 0.7374 0.5112 0.7255 0.5497 0.7486 0.5164 0.7540 0.7390 0.7820 0.8737 0.6656 0.6770 0.8803 0.7906 0.7840 0.7766 0.7885 0.6818 0.7556 0.7580 0.8160 0.6819 0.6490 0.6452 0.6554 0.7630 0.6260 0.7581 0.7501 0.7548 0.7015 0.6531 0.7610 0.7606 0.7534 0.7212 0.7288 0.6556 Neg_Shikimic_acid Shikimic acid 0.5732 0.5704 0.5772 0.5721 0.5515 0.5686 0.5744 0.5739 0.5780 0.5724 0.5464 0.5866 0.6716 0.6916 0.5660 0.5637 0.5570 0.5846 0.5647 0.5616 0.9553 0.5292 0.7120 0.7538 0.7019 0.8097 0.6900 0.6870 0.6721 0.7436 0.6875 0.6981 0.5820 0.5424 0.5668 0.8597 0.5896 0.7403 0.6688 0.5472 0.6480 0.5584 0.6290 0.6979 0.6497 0.6467 0.6488 0.6323 0.6369 0.6430 0.6420 0.6359 0.6518 0.6437 0.6250 0.6548 0.6440 0.6966 0.6212 0.6537 0.5758 0.5730 0.5836 0.5741 0.5779 0.5778 0.5725 0.5821 0.5616 0.5740 0.6423 0.6230 0.6367 0.6483 0.6540 0.6544 0.6469 0.6543 0.5569 0.6454 0.6357 0.6481 0.6421 0.6392 0.6430 0.6015 0.6465 0.6682 0.6460 0.6297 0.6199 0.6653 0.6342 0.6436 0.7335 0.6520 0.6541 0.6237 0.6388 0.8485 0.6509 0.7589 0.6239 0.7234 0.5863 0.5963 0.6485 0.6403 0.6616 0.6696 0.5557 0.6096 0.5643 0.5301 0.5678 0.5654 0.7852 0.6033 0.6844 0.7589 0.6534 0.6424 0.7792 0.7113 0.6862 0.6673 0.6723 0.6799 0.6886 0.6874 0.7370 0.6219 0.6331 0.6303 0.6050 0.6824 0.6025 0.6935 0.6722 0.6661 0.6199 0.7240 0.6758 0.6693 0.6701 0.8010 0.6479 0.6248 N_Formyl_L_Methionine N-Formylmethionine 0.5482 0.5659 0.5695 0.5842 0.5773 0.6316 0.5655 0.5667 0.6120 0.5793 0.6242 0.5539 0.6327 0.5649 0.5504 0.5665 0.6159 0.6204 0.5555 0.5581 0.9207 0.6156 0.6906 0.5917 0.6460 0.6210 0.6234 0.5642 0.5544 0.6255 0.6551 0.5585 0.5694 0.6125 0.5218 0.4953 0.6644 0.5679 0.6438 0.5572 0.6877 0.6405 0.6630 0.6063 0.6482 0.6471 0.5840 0.6443 0.6549 0.6714 0.6232 0.6488 0.6374 0.6147 0.5242 0.6390 0.4593 0.4677 0.4672 0.4729 0.4566 0.4914 0.5455 0.4835 0.4577 0.4434 0.6740 0.6890 0.5700 0.6330 0.6444 0.4728 0.7096 0.6545 0.6781 0.6434 0.6277 0.5228 0.6914 0.5300 0.7235 0.5779 0.5383 0.6408 0.6454 0.6196 0.7856 0.6284 0.7268 0.6095 0.6585 0.6501 0.6597 0.8266 0.6423 0.7473 0.6061 0.5967 0.6724 0.6980 0.6738 0.6248 0.5202 0.5221 0.4772 0.5559 0.4295 0.4983 0.6116 0.6534 0.5504 0.6575 0.7156 0.6755 0.6918 0.5705 0.5802 0.7484 0.7075 0.6329 0.6688 0.7272 0.5836 0.5542 0.6359 0.5259 0.5906 0.6973 0.7132 0.6618 0.6845 0.8011 0.7123 0.5964 0.5913 0.6091 0.6158 0.5527 Niacinamide Niacinamide 0.5870 0.6380 0.6324 0.6433 0.6327 0.6409 0.6428 0.6173 0.6230 0.6335 0.6082 0.6414 0.6448 0.6008 0.6339 0.6585 0.6310 0.6468 1.0739 0.6872 0.7294 0.7717 0.7187 0.8425 0.7252 0.6958 0.7310 0.8180 0.7227 0.7706 0.6560 0.6858 0.7243 0.9165 0.6793 0.7780 0.7879 0.6826 0.6871 0.6177 0.6987 0.6761 0.6856 0.6752 0.6815 0.6757 0.4926 0.6643 0.6608 0.6763 0.6804 0.6872 0.6870 0.6618 0.6886 0.7045 0.6547 0.6294 0.6391 0.6363 0.6386 0.6332 0.6302 0.6356 0.6364 0.6417 0.6374 0.7650 0.7020 0.7075 0.7528 0.6969 0.7585 0.7527 0.7189 0.5780 0.7066 0.6979 0.7089 0.7578 0.7729 0.7243 0.6962 0.6989 0.7763 0.7373 0.6861 0.7034 0.7257 0.7604 0.8085 0.7688 0.7188 0.7271 0.8132 0.8081 0.9140 0.7419 0.9785 0.7948 0.8093 0.7471 0.7405 0.8168 0.8270 0.7443 0.7405 0.6136 0.7285 0.5390 0.6036 0.5525 0.6300 0.8205 0.4440 0.7247 0.6845 0.7585 0.7789 0.8319 0.6934 0.7346 0.7407 0.7363 0.8850 0.7341 0.7174 0.7932 0.7108 0.7662 0.7643 0.7328 0.7354 0.7225 0.7316 0.7285 0.7378 0.7327 0.9566 0.7339 0.7176 0.7443 0.8557 0.7190 0.7424 Nicotinamide Niacinamide 0.7958 0.7941 0.8325 0.8190 0.8293 0.6962 0.8231 0.8065 0.8106 0.8070 0.6795 0.8017 0.7065 0.8201 0.8039 0.7983 0.8210 0.7360 0.8089 0.7765 1.0864 0.6916 0.7397 0.8016 0.7342 0.8490 0.7406 0.7396 0.7342 0.8260 0.7396 0.7839 0.6891 0.6985 0.7359 0.9130 0.6795 0.7948 0.7962 0.6990 0.7082 0.6624 0.7397 0.7238 0.7132 0.7188 0.7112 0.7164 0.7197 0.7181 0.7290 0.6734 0.6767 0.7131 0.7245 0.7206 0.7159 0.7223 0.7281 0.7171 0.6569 0.6481 0.6970 0.6664 0.6486 0.6589 0.6529 0.6169 0.6370 0.6594 0.7178 0.7576 0.7816 0.7271 0.7396 0.6551 0.7337 0.7381 0.5841 0.7710 0.7292 0.7655 0.7114 0.7129 0.7345 0.7204 0.7756 0.7235 0.7030 0.7300 0.7114 0.7506 0.7943 0.8213 0.8450 0.7459 0.7536 0.8228 0.8360 0.9031 0.7408 0.9815 0.7860 0.8189 0.7358 0.7418 0.8039 0.8197 0.7445 0.7430 0.6138 0.7829 0.6316 0.6596 0.6275 0.6790 0.9655 0.6372 0.7346 0.8237 0.7796 0.7933 0.8417 0.7409 0.7468 0.7432 0.7405 0.8844 0.7400 0.7454 0.7955 0.7553 0.7903 0.7750 0.7471 0.7386 0.7571 0.7387 0.7396 0.7428 0.7376 0.9415 0.7431 0.7433 0.7419 0.8617 0.7330 0.7631 Nicotinic_acid Nicotinic acid 0.6754 0.6767 0.6855 0.6755 0.6859 0.6794 0.6784 0.6891 0.6919 0.6663 0.6382 0.6788 0.6782 0.6788 0.6757 0.6736 0.6808 0.8820 0.6774 0.6663 0.8195 0.5083 0.7968 0.8627 0.6591 0.8271 0.7173 0.7195 0.6651 0.6524 0.9014 0.7132 0.5261 0.5290 0.5515 0.7435 0.4562 0.9065 0.5808 0.5245 0.7080 0.5963 0.7986 0.7066 0.7118 0.7041 0.6527 0.7049 0.7098 0.7138 0.7127 0.7059 0.7118 0.7105 0.7008 0.7080 0.6991 0.7047 0.6660 0.7128 0.6393 0.6247 0.6446 0.6378 0.6383 0.6425 0.6612 0.6506 0.6421 0.6428 0.6976 0.6694 0.6613 0.6966 0.6835 0.6980 0.6928 0.6745 0.5589 0.6708 0.8977 0.9222 0.6975 0.6873 0.6928 0.7887 0.9309 0.7016 0.6898 0.5770 0.7886 0.7558 0.7372 0.8032 0.8357 0.7459 0.6625 0.7417 0.8875 0.7341 0.7145 0.8941 0.5469 0.7670 0.6065 0.7209 0.6822 0.6491 0.6435 0.6138 0.7213 0.7344 0.5380 0.8842 0.6570 0.6568 0.7903 0.7359 0.7482 0.8206 0.7202 0.9231 0.6999 0.6280 0.6758 0.9290 0.7175 0.7863 0.6931 0.7410 0.7745 0.7048 0.8959 0.9066 0.7645 0.9002 0.7751 0.6849 0.7742 0.7987 0.7610 0.7248 0.8219 0.7292 N_Methylaspartate N-Methyl-D-aspartic acid 0.7888 0.7912 0.7925 0.7915 0.7875 0.7278 0.7886 0.7720 0.7700 0.7907 0.7286 0.7808 0.7435 0.7978 0.7958 0.8012 0.7731 0.6539 0.7926 0.8095 0.4190 0.8027 0.8461 0.8520 0.9483 0.8366 0.8552 0.8257 0.8239 0.3801 0.3854 0.4470 0.4093 0.8272 0.6080 0.8413 0.8330 0.8484 0.8399 0.8524 0.8382 0.8252 0.8550 0.8304 0.8343 0.8368 0.8482 0.8327 0.8457 0.8318 0.8370 0.8349 0.7951 0.7852 0.8068 0.8033 0.7973 0.7968 0.8055 0.8001 0.7518 0.8015 0.8095 0.6888 0.6228 0.7684 0.7461 0.8035 0.7632 0.7180 0.4605 0.7487 0.7980 0.6832 0.7924 0.7702 0.8015 0.4792 0.6674 0.7746 0.6468 0.7679 0.4927 0.7807 0.9024 0.7938 0.6851 0.8145 0.5565 0.8613 0.4843 0.8218 0.7621 0.6541 0.6996 0.6803 0.7439 0.8489 0.9350 0.9649 0.8294 0.8051 0.8372 0.8537 0.8344 0.7673 0.8933 0.4443 0.4370 0.7963 0.8381 0.6092 0.7500 0.4524 0.5375 0.6881 0.7595 0.7190 0.6952 0.4506 N_Methyl_DL_Alanine Asparagine 0.7209 0.7367 0.7617 0.7486 0.7339 0.4910 0.7320 0.7268 0.5233 0.7261 0.6843 0.7181 0.6908 0.7481 0.7367 0.7310 0.7372 0.6883 0.7344 0.7311 0.7804 0.4861 0.7433 0.7668 0.7888 0.8628 0.7534 0.4784 0.7873 0.5859 0.7380 0.5536 0.4267 0.4550 0.6539 0.3945 0.5650 0.5235 0.3680 0.7975 0.7199 0.7891 0.7904 0.7979 0.7859 0.8076 0.7820 0.7825 0.7958 0.7905 0.7773 0.7962 0.8020 0.7928 0.7952 0.7813 0.4887 0.7802 0.7850 0.7615 0.7880 0.7873 0.7796 0.7802 0.7711 0.7728 0.7627 0.7699 0.7586 0.7323 0.7251 0.7432 0.7464 0.7479 0.7475 0.7381 0.7359 0.7502 0.7289 0.7571 0.7515 0.7496 0.6891 0.7428 0.7565 0.7497 0.7488 0.4791 0.7413 0.6038 0.6301 0.8310 0.7408 0.6752 0.5734 0.5885 0.6720 0.7292 0.6194 0.5454 0.8002 0.4853 0.7033 0.4293 0.5986 0.7441 0.7350 0.4470 0.4821 0.4156 0.7938 0.8569 0.5658 0.6002 0.8728 0.7591 0.7436 0.7761 0.7875 0.6487 0.7518 0.7225 0.8138 0.5009 0.5850 0.5379 0.7224 0.5403 0.7522 0.6536 0.6863 0.6908 0.6634 0.6933 0.7003 0.6792 0.6055 0.6905 0.6098 N_Methylglutamate N-Methyl-glutamic acid 0.8121 0.8175 0.8189 0.8128 0.8270 0.8131 0.8184 0.8267 0.8269 0.8067 0.8156 0.8246 0.8204 0.8279 0.8173 0.8145 0.8171 0.8320 0.8202 0.8096 0.4221 0.7398 0.7840 0.7334 0.8439 0.7351 0.7398 0.7298 0.5692 0.7304 0.5749 0.4361 0.4453 0.5320 0.4234 0.6850 0.6865 0.6742 0.6728 0.6685 0.6698 0.6677 0.6706 0.6790 0.6751 0.6668 0.6686 0.6679 0.6666 0.6678 0.6715 0.6728 0.6454 0.6687 0.7819 0.7844 0.7887 0.7881 0.7852 0.7920 0.7850 0.7859 0.7851 0.7820 0.6194 0.6175 0.6499 0.6410 0.6169 0.6412 0.6497 0.6614 0.3446 0.6383 0.6036 0.6122 0.6339 0.6266 0.6353 0.5985 0.6644 0.6355 0.6299 0.6121 0.7068 0.5728 0.6264 0.7878 0.7045 0.6607 0.6580 0.6550 0.6375 0.7181 0.6058 0.5848 0.7957 0.4829 0.5723 0.5137 0.5159 0.7234 0.7271 0.5952 0.4598 0.5978 0.5104 0.6024 0.5483 0.6065 0.7285 0.8114 0.5444 0.5783 0.8302 0.7300 0.7307 0.7312 0.7312 0.5892 0.7352 0.7389 0.7871 0.5989 0.6270 0.5730 0.5787 0.7239 0.5540 0.7349 0.6598 0.7049 0.5732 0.6335 0.6856 0.7026 0.6989 0.5674 0.6839 0.5879 N_N_Dimethylarginine 0.7473 0.7689 0.7751 0.7698 0.7784 0.7329 0.7671 0.7712 0.7753 0.7611 0.7129 0.7587 0.7403 0.7808 0.7716 0.7600 0.7536 0.6847 0.7682 0.7613 0.8938 0.5285 0.7149 0.7574 0.8076 0.8942 0.7967 0.7869 0.8015 0.7249 0.7382 0.5960 0.6751 0.5143 0.6349 0.7424 0.5780 0.6026 0.5477 0.5047 0.8012 0.5427 0.7009 0.8132 0.8091 0.8204 0.8088 0.8244 0.8184 0.8055 0.8272 0.8141 0.7997 0.8033 0.8281 0.8160 0.8287 0.8079 0.7637 0.8155 0.7102 0.7135 0.7277 0.7268 0.7238 0.7323 0.7310 0.7355 0.7150 0.7326 0.7587 0.7337 0.7300 0.7669 0.7658 0.7800 0.7726 0.7659 0.7488 0.7474 0.7164 0.7683 0.7464 0.7637 0.5221 0.7340 0.7728 0.7124 0.7107 0.6058 0.7589 0.6359 0.6215 0.8743 0.7734 0.5113 0.6628 0.6568 0.7105 0.7629 0.7286 0.6164 0.8309 0.4981 0.3718 0.5684 0.6121 0.7779 0.7135 0.5857 0.6043 0.6375 0.5078 0.5824 0.5815 0.7963 0.6577 0.7865 0.8874 0.6101 0.6237 0.8900 0.7856 0.7451 0.7950 0.8069 0.6606 0.7687 0.7164 0.8652 0.5576 0.6358 0.6248 0.4212 0.7452 0.5755 0.7784 0.4826 0.6944 0.4934 0.7010 0.5591 0.6507 0.6376 0.6462 0.5481 0.6308 Nonadecanoic_acid Nonadecylic acid 0.5613 0.5202 0.5254 0.5313 0.4801 0.5210 0.5133 0.5167 0.5262 0.5222 0.5501 0.5497 0.5589 0.5614 0.5332 0.5176 0.5265 0.5294 0.5199 0.5213 1.1870 0.6059 0.6939 0.7615 0.6402 0.7179 0.6084 0.6754 0.5964 0.7550 0.6944 0.7243 0.6967 0.6394 0.6612 0.6808 0.6950 0.6999 0.6637 0.6401 0.6070 0.5815 0.5370 0.5533 0.5309 0.5337 0.5340 0.5340 0.5404 0.5389 0.5435 0.5788 0.5476 0.5722 0.5559 0.5675 0.5469 0.5607 0.5331 0.5554 0.6619 0.5421 0.5498 0.5459 0.5467 0.5432 0.5425 0.5462 0.5473 0.5345 0.5877 0.5066 0.5113 0.5192 0.5121 0.5263 0.5175 0.5192 0.5340 0.5157 0.4928 0.5642 0.5124 0.5499 0.5594 0.5257 0.5265 0.5416 0.5287 0.5135 0.7523 0.7100 0.7404 0.7478 0.6833 0.6561 0.7031 0.7243 0.7234 0.7610 0.7352 0.8588 0.8017 0.7670 0.7474 0.7355 0.7298 0.7449 0.6035 0.6936 0.7081 0.8987 0.7128 0.6265 0.7535 0.8135 0.9864 0.7337 0.7220 0.6626 0.8006 0.7888 0.7792 0.6546 0.6875 0.6057 0.6100 0.7608 0.7132 0.6944 0.7321 0.7344 0.7671 0.7480 0.6964 0.5907 0.7340 0.5935 0.7151 0.5741 0.7022 0.8970 0.6801 0.6684 0.6462 0.6519 0.6891 0.6962 Noradrenaline Xi-Norepinephrine 0.5479 0.5169 0.5396 0.5384 0.5528 0.5615 0.5447 0.5611 0.5470 0.5281 0.5550 0.5618 0.5672 0.5419 0.5436 0.5639 0.5138 0.5578 0.5401 0.5089 0.6202 0.4205 0.4678 0.4987 0.5343 0.5901 0.5063 0.4676 0.5031 0.5622 0.4707 0.4986 0.4398 0.4033 0.4369 0.5073 0.4983 0.4662 0.4637 0.4501 0.6364 0.4956 0.6521 0.6553 0.6144 0.6455 0.6226 0.6255 0.6526 0.6425 0.6130 0.6593 0.6168 0.6140 0.6510 0.6201 0.6535 0.6432 0.6468 0.4951 0.5028 0.4769 0.4985 0.5142 0.4666 0.5023 0.4932 0.5065 0.5042 0.6429 0.6322 0.6379 0.6440 0.6422 0.6558 0.6491 0.6451 0.6409 0.6132 0.6234 0.6357 0.6364 0.6500 0.6220 0.6608 0.6363 0.5996 0.5688 0.5457 0.4920 0.4741 0.5706 0.4739 0.5100 0.5499 0.5297 0.5838 0.4873 0.6179 0.4581 0.4899 0.4812 0.4851 0.3833 0.4130 0.4033 0.3829 0.3991 0.3771 0.3585 0.5096 0.5788 0.5433 0.4663 0.4653 0.5438 0.4803 0.4839 0.4661 0.4752 0.4799 0.4636 0.5126 0.4790 0.4723 0.4329 0.5503 0.4795 0.4528 0.4703 0.5713 0.4492 0.4776 Norleucine Norleucine 0.5702 0.5807 0.5866 0.5909 0.5565 0.5490 0.5757 0.5794 0.5756 0.5667 0.5925 0.5755 0.5962 0.5879 0.5773 0.5813 0.5726 0.5642 0.5762 0.5816 0.7265 0.5057 0.6864 0.6902 0.6489 0.7930 0.6932 0.6875 0.6617 0.6471 0.6679 0.5299 0.5069 0.4730 0.4842 0.7047 0.5475 0.5208 0.5308 0.4965 0.6740 0.4999 0.7351 0.6892 0.6748 0.7060 0.6648 0.7110 0.6925 0.6580 0.7102 0.6894 0.6612 0.6695 0.7012 0.6657 0.6895 0.6811 0.6284 0.6781 0.6003 0.5346 0.5862 0.5828 0.5719 0.5779 0.5818 0.4987 0.5874 0.6446 0.6733 0.6643 0.6322 0.6407 0.6365 0.6370 0.6377 0.4780 0.6692 0.6663 0.6593 0.6366 0.6831 0.6859 0.5720 0.6672 0.6475 0.6922 0.6325 0.5778 0.6794 0.6619 0.5782 0.7407 0.6787 0.6655 0.5765 0.5617 0.6280 0.6409 0.6465 0.5215 0.7248 0.5016 0.6812 0.5526 0.5107 0.6757 0.6683 0.6409 0.5148 0.6027 0.6218 0.6587 0.5976 0.7569 0.4748 0.6557 0.7041 0.5600 0.5644 0.7505 0.6085 0.6690 0.6291 0.6386 0.5723 0.6778 0.6553 0.6933 0.6646 0.5776 0.5855 0.6781 0.5703 0.6559 0.6475 0.6747 0.6486 0.6224 0.6467 0.6775 0.6655 0.5492 0.6666 Normetanephrine Normetanephrine 0.7846 0.7907 0.8030 0.7995 0.8031 0.8027 0.7918 0.8049 0.8149 0.7867 0.6856 0.7928 0.6988 0.8062 0.7905 0.7836 0.7902 0.8055 0.7916 0.7825 1.0392 0.6124 0.8020 0.8612 0.8039 0.9180 0.8059 0.7972 0.7974 0.7779 0.7963 0.7310 0.5339 0.5269 0.5940 0.7780 0.5793 0.7372 0.7280 0.5486 0.8107 0.4861 0.7999 0.7970 0.7951 0.7813 0.7945 0.7835 0.7900 0.8026 0.8022 0.7885 0.7961 0.7896 0.7822 0.7956 0.7892 0.7992 0.7707 0.7906 0.7712 0.7857 0.7742 0.7750 0.7740 0.7804 0.7677 0.7754 0.7783 0.7645 0.7751 0.7582 0.7660 0.7731 0.7702 0.7769 0.7663 0.7711 0.4640 0.7700 0.7531 0.7596 0.7672 0.7700 0.7777 0.7057 0.7590 0.7821 0.7663 0.7511 0.5497 0.7820 0.7167 0.7175 0.8709 0.7785 0.7730 0.7414 0.7568 0.6027 0.7803 0.8777 0.7363 0.8676 0.6063 0.6792 0.7505 0.7849 0.7857 0.5417 0.7168 0.5420 0.6666 0.5561 0.6364 0.8477 0.5486 0.8074 0.8979 0.7183 0.7392 0.9110 0.8179 0.8132 0.8013 0.8115 0.7992 0.7875 0.7787 0.8466 0.7156 0.7258 0.7228 0.6653 0.7879 0.6036 0.7825 0.7786 0.7829 0.7172 0.8832 0.7895 0.7868 0.7828 0.7671 0.7718 0.5960 Norvaline Norvaline 0.8545 0.8698 0.9092 0.8996 0.8824 0.8566 0.8813 0.8896 0.9064 0.9003 0.7858 0.8472 0.8739 0.8792 0.8650 0.8631 0.8506 0.8421 0.8570 0.8497 0.6422 0.4081 0.8445 0.8848 0.9153 1.0010 0.8793 0.8875 0.9114 0.4616 0.8285 0.9672 0.8551 0.9612 0.9576 0.9485 0.9523 0.9536 0.9514 0.9583 0.9617 0.9573 0.9550 0.9624 0.9531 0.9614 0.9577 0.9577 0.8874 0.9463 0.9039 0.8872 0.9041 0.9054 0.8971 0.8986 0.8942 0.8967 0.8247 0.8903 0.9244 0.8706 0.8381 0.9109 0.9004 0.9214 0.9129 0.8735 0.6612 0.8619 0.8652 0.8353 0.9319 0.9135 0.8996 0.8249 0.8583 0.9262 0.9013 0.8637 0.4002 0.8405 0.5054 0.9799 0.8586 0.8029 0.5019 0.4756 0.5850 0.8009 0.4804 0.4474 0.9360 0.4839 0.7406 0.4563 0.4310 0.8606 0.8427 0.8230 0.8526 0.9147 0.9994 1.0058 0.8807 0.8625 0.8810 0.9113 0.4884 0.8592 0.8313 0.9718 0.4956 0.8523 0.8680 0.7829 0.8213 0.5460 0.7928 0.8310 0.8007 0.8221 O_Acetylserine O-Acetylserine 0.9921 0.9931 0.9996 0.9842 0.9928 0.9493 0.9904 0.9986 0.9927 1.0082 0.8714 0.9954 0.9979 0.9950 0.9910 1.0025 0.9927 0.9630 0.9956 0.9950 1.1402 0.7476 0.7610 0.8234 0.7540 0.8959 0.7732 0.7825 0.7701 0.8682 0.7736 0.7952 0.7386 0.7543 0.7750 0.9638 0.7210 0.8234 0.8353 0.7453 0.7595 0.7297 0.8276 0.7768 0.7659 0.7677 0.7699 0.7765 0.7710 0.8622 0.7942 0.7526 0.7739 0.7610 0.7674 0.7760 0.7565 0.7932 0.7970 0.7659 0.9741 0.9297 1.0294 0.9944 0.9959 0.9519 1.0554 1.0428 0.8901 1.0431 0.7634 0.8016 0.8088 0.7710 0.7905 0.7637 0.7842 0.8015 0.6918 0.7759 0.7738 0.8057 0.7672 0.7719 0.7751 0.7600 0.8061 0.7761 0.7765 0.7642 0.7512 0.7969 0.7802 0.8154 0.8746 0.7978 0.8018 0.8233 0.8301 0.9009 0.7645 1.0230 0.7965 0.8477 0.7671 0.7474 0.8369 0.8336 0.7669 0.7671 0.6371 0.7287 0.6085 0.5522 0.5992 0.9425 0.6177 0.7476 0.8612 0.7775 0.7789 0.8806 0.7897 0.7901 0.7872 0.7666 0.9154 0.7708 0.7779 0.8099 0.7331 0.7786 0.7797 0.7514 0.7725 0.7409 0.7534 0.7758 0.7749 0.7619 0.9957 0.7630 0.7761 0.7827 0.9058 0.7645 0.7828 octadecylglycerol MG O-18:0 0.5854 0.5863 0.6109 0.6086 0.5954 0.6536 0.5892 0.6048 0.6150 0.6079 0.4848 0.5914 0.5058 0.5980 0.5860 0.5747 0.5895 0.6046 0.5867 0.5714 0.8084 0.5966 0.7317 0.7871 0.6377 0.8526 0.7557 0.6575 0.6046 0.6721 0.7193 0.5854 0.6275 0.5563 0.5990 0.8131 0.6581 0.5820 0.6210 0.5771 0.5255 0.6088 0.6210 0.6350 0.6106 0.6139 0.6314 0.6064 0.6086 0.6392 0.6326 0.6202 0.6135 0.6204 0.5225 0.5186 0.5229 0.5167 0.6187 0.6349 0.6609 0.6575 0.6624 0.6635 0.6543 0.6498 0.6510 0.6616 0.6668 0.6644 0.5714 0.5951 0.6020 0.5535 0.6049 0.5999 0.5440 0.5150 0.5995 0.4993 0.5535 0.5962 0.5693 0.5178 0.5234 0.5386 0.5974 0.5595 0.5155 0.5505 0.6549 0.5005 0.5440 0.5655 0.6026 0.6548 0.5076 0.5574 0.5850 0.6485 0.5429 0.7222 0.6067 0.6377 0.5816 0.5677 0.6311 0.6018 0.7070 0.6404 0.6240 0.7325 0.5872 0.6118 0.5404 0.9166 0.4602 0.7906 0.8602 0.6179 0.8575 0.7544 0.5785 0.7886 0.6404 0.6697 0.7206 0.5973 0.6501 0.5655 0.6374 0.6229 0.5193 0.7264 0.5228 0.5581 0.5692 0.5418 0.5443 0.6919 0.7121 0.7145 0.7019 0.6682 0.5344 0.5585 Octanoic_acid Caprylic acid 0.4229 0.2662 0.4237 0.5005 0.3788 0.4329 0.3293 0.4374 0.6198 0.3664 0.7816 0.4487 0.6718 0.7074 0.6794 0.7826 0.6711 0.6796 0.6825 0.6335 0.6884 0.6588 0.5397 0.5689 0.4981 0.4641 0.6582 0.6177 0.5822 0.7220 0.7261 0.7250 0.7223 0.6452 0.5983 0.5880 0.5937 0.5916 0.2705 0.3093 0.5793 0.5837 0.5861 0.1854 0.6641 0.6438 0.6449 0.6456 0.6048 0.6273 0.6067 0.6391 0.6339 0.6295 0.5295 0.6188 0.5112 0.6619 0.6135 0.7751 0.6754 0.6769 0.5766 0.6705 0.5482 0.7623 0.5611 0.6776 0.5524 0.5124 0.6845 0.6831 0.4688 0.6743 0.7499 0.3943 0.6253 0.5141 0.6825 0.6697 0.6877 0.6871 0.6734 0.6910 0.7530 0.6518 0.5886 0.5868 0.6718 0.6879 0.6740 0.6769 0.6808 0.6763 0.5885 0.6743 0.6815 0.5030 0.6104 0.6711 0.6260 oleamide_ Oleamide 0.5114 0.6930 0.6719 0.6464 0.6657 0.7044 0.6719 0.7659 0.7232 0.6699 0.7160 0.6708 0.7004 0.6356 0.5907 0.5730 0.5998 0.5946 0.6660 0.6283 0.7998 0.5966 0.7011 0.7831 0.8060 0.8762 0.8032 0.7694 0.8069 0.6039 0.7092 0.5712 0.5846 0.5548 0.5512 0.6736 0.6629 0.5892 0.6178 0.5718 0.5387 0.5917 0.5486 0.5503 0.5375 0.5306 0.5371 0.5394 0.5378 0.5462 0.5303 0.5458 0.5473 0.5360 0.5364 0.5518 0.5523 0.5433 0.5356 0.5352 0.4853 0.5850 0.5337 0.5592 0.7227 0.5440 0.5558 0.5232 0.5426 0.5586 0.5253 0.5311 0.5205 0.5290 0.5278 0.5339 0.5192 0.5295 0.5546 0.5354 0.5304 0.5260 0.5289 0.5238 0.5266 0.5209 0.5279 0.5419 0.5311 0.5122 0.6503 0.5989 0.5521 0.5911 0.6831 0.6320 0.5629 0.5978 0.6066 0.6591 0.6155 0.7255 0.5687 0.7483 0.5874 0.5331 0.6096 0.5978 0.6390 0.5510 0.4385 0.5829 0.4403 0.4729 0.4622 0.4859 0.8665 0.4418 0.7620 0.8046 0.5598 0.5771 0.8833 0.7935 0.7553 0.7422 0.7195 0.6640 0.7105 0.7639 0.6927 0.5497 0.5755 0.5709 0.5434 0.6702 0.5390 0.6828 0.5376 0.5363 0.5329 0.6997 0.5579 0.5965 0.6016 0.6466 0.5411 0.5694 oleic_acid Oleic acid 0.6379 0.6102 0.6191 0.6209 0.6508 0.6451 0.6362 0.6513 0.6595 0.6380 0.7341 0.5925 0.7412 0.6177 0.6357 0.6328 0.6035 0.6244 0.5934 0.5980 1.0125 0.6474 0.7295 0.7750 0.7264 0.8281 0.7268 0.7225 0.7249 0.8050 0.7156 0.7579 0.6332 0.6307 0.6610 0.8639 0.6716 0.7639 0.6560 0.6452 0.6659 0.6469 0.7288 0.7216 0.7174 0.7109 0.7212 0.7104 0.7095 0.7246 0.7254 0.7158 0.6612 0.7185 0.7130 0.6683 0.7132 0.7263 0.6676 0.7203 0.6360 0.6281 0.5825 0.6100 0.5838 0.5889 0.5829 0.5842 0.6331 0.5990 0.7003 0.6810 0.6970 0.6955 0.6930 0.6950 0.6951 0.7035 0.6025 0.6986 0.6784 0.6876 0.6939 0.6942 0.7073 0.6759 0.6903 0.7080 0.6973 0.6760 0.6815 0.7293 0.7622 0.7885 0.8048 0.7241 0.7216 0.7906 0.8053 0.8745 0.7131 0.9172 0.7695 0.7955 0.6833 0.7199 0.7561 0.7775 0.7128 0.7179 0.5509 0.5938 0.5487 0.5386 0.5596 0.5538 0.8487 0.5382 0.7332 0.8104 0.7664 0.7678 0.8258 0.7254 0.7327 0.7242 0.7283 0.8385 0.7219 0.7151 0.7746 0.7234 0.7671 0.7591 0.7191 0.7126 0.7242 0.7138 0.7186 0.7142 0.8755 0.7204 0.7193 0.7098 0.7768 0.7169 0.7442 O_Phospho_serine DL-O-Phosphoserine 0.8077 0.8138 0.8274 0.8285 0.8249 0.8272 0.8156 0.8307 0.8434 0.8160 0.7140 0.8157 0.7275 0.8293 0.8138 0.8048 0.8142 0.8291 0.8185 0.8047 0.9928 0.4982 0.8965 0.9608 0.8958 1.0257 0.8983 0.8952 0.8959 0.7702 0.8843 0.6595 0.5112 0.6604 0.8808 0.6999 0.7122 0.4713 0.8942 0.8809 0.8769 0.8743 0.8607 0.8767 0.8605 0.8688 0.8808 0.8824 0.8692 0.8797 0.8714 0.8617 0.8785 0.8701 0.8832 0.8489 0.8706 0.7939 0.7999 0.7966 0.7963 0.7917 0.7992 0.7899 0.7957 0.7962 0.7864 0.8529 0.8364 0.8459 0.8510 0.8529 0.8573 0.8468 0.8538 0.5832 0.8512 0.8286 0.8448 0.8444 0.8503 0.8627 0.7812 0.8461 0.8663 0.8535 0.8222 0.6455 0.8764 0.6413 0.5712 0.9709 0.8715 0.8688 0.6147 0.6233 0.6125 0.8684 0.8088 0.6609 0.9657 0.6974 0.7769 0.7938 0.7142 0.8701 0.8703 0.7591 0.5572 0.7474 0.5729 0.7702 0.3995 0.7601 0.8991 0.9988 0.7238 0.6970 1.0140 0.9031 0.9009 0.8907 0.9008 0.7155 0.8778 0.8690 0.9405 0.7606 0.6838 0.7599 0.7536 0.8694 0.7088 0.8725 0.8698 0.8722 0.8112 0.8050 0.8805 0.8774 0.8686 0.7867 0.8543 0.7105 ornithine Ornithine 0.8378 0.8486 0.8446 0.8436 0.8491 0.8120 0.8433 0.8423 0.8460 0.8332 0.8333 0.8405 0.8349 0.8545 0.8487 0.8433 0.8459 0.8020 0.8478 0.8449 0.8038 0.7676 0.8109 0.8706 0.9687 0.8572 0.8559 0.8688 0.8125 0.4398 0.4047 0.8789 0.8257 0.8862 0.8823 0.8824 0.8779 0.8872 0.8889 0.8983 0.8943 0.8833 0.8791 0.8789 0.8850 0.8786 0.8871 0.8858 0.8531 0.8801 0.8159 0.8080 0.8275 0.8274 0.8312 0.8250 0.8175 0.8224 0.7842 0.8186 0.8489 0.8350 0.8133 0.8425 0.8568 0.8552 0.8483 0.8514 0.8345 0.8380 0.8127 0.8546 0.8363 0.8502 0.6320 0.8293 0.8485 0.8138 0.8253 0.3913 0.7877 0.9402 0.8014 0.4934 0.8263 0.9220 0.3960 0.4988 0.8463 0.7875 0.6758 0.7347 0.6866 0.7645 0.8681 0.9710 0.9799 0.8582 0.8235 0.8725 0.8807 0.8232 0.7575 0.9291 0.8156 0.8361 0.5214 0.6773 0.4610 0.5587 0.6896 0.6785 0.5851 Orotate Orotic acid 0.5939 0.6181 0.6155 0.8642 0.5176 0.9199 0.6277 0.8440 0.8745 0.4715 0.5533 0.8387 0.4474 0.9015 0.7646 0.7969 0.8335 0.9970 0.8947 0.8794 0.7543 0.8064 0.8349 0.7383 0.7416 0.7864 0.6746 0.7031 0.8177 0.7410 0.5485 0.6189 0.6600 0.6571 0.5748 0.8488 0.5948 0.6094 0.5980 0.5931 0.6125 0.6048 0.6063 0.5967 0.5992 0.5952 0.9285 0.8467 0.8682 0.9165 0.9111 0.9177 0.9091 0.9054 0.5863 0.8644 0.8652 0.8640 0.9257 0.9215 0.9184 0.8508 0.9291 0.9181 0.8004 0.7255 0.7715 0.8322 0.8662 0.7978 0.9095 0.8417 0.8044 0.8553 0.8981 0.7937 0.7791 0.8208 0.7897 0.8550 0.7924 0.9426 0.8511 1.0486 0.9484 0.9891 0.8070 0.8465 1.0039 0.7485 0.8881 0.7352 0.8814 0.7932 0.8427 0.8694 0.8293 0.8719 0.7900 0.8736 0.8644 0.7619 0.8304 0.8156 0.8714 0.8364 o_Toluic_acid 0.6840 0.6605 0.6777 0.6163 0.6746 0.6610 0.6728 0.6614 0.6118 0.6797 0.7088 0.6637 0.6688 0.6700 0.7134 0.6698 0.7019 0.6671 0.6803 0.9928 0.6421 0.7266 0.7881 0.6860 0.8270 0.7167 0.6928 0.6917 0.7286 0.7415 0.6937 0.6395 0.6478 0.6685 0.8049 0.6787 0.7234 0.7233 0.6474 0.7868 0.6050 0.8112 0.7727 0.7713 0.7777 0.7584 0.7797 0.7192 0.7758 0.7183 0.7849 0.7859 0.7693 0.7744 0.7527 0.8024 0.7506 0.6068 0.6278 0.6240 0.6114 0.6326 0.6136 0.6313 0.6223 0.6245 0.6233 0.7162 0.8201 0.8098 0.7439 0.7790 0.7573 0.7609 0.7533 0.5587 0.7828 0.7869 0.8318 0.7349 0.7686 0.7733 0.8544 0.8202 0.7344 0.7730 0.7971 0.6836 0.7300 0.6825 0.7101 0.8026 0.7090 0.7313 0.7232 0.7207 0.7753 0.7320 0.8906 0.6985 0.8053 0.6714 0.7456 0.7296 0.7346 0.7198 0.7334 0.6324 0.6249 0.5941 0.5724 0.5999 0.5883 0.8274 0.6077 0.6975 0.7851 0.6876 0.6946 0.7794 0.7158 0.7243 0.7062 0.7016 0.7888 0.7166 0.7201 0.7533 0.6572 0.6948 0.6775 0.6939 0.7077 0.6305 0.7079 0.7383 0.7147 0.7222 0.8377 0.7443 0.7361 0.7433 0.7581 0.7360 0.6842 oxamic_acid Oxamic acid 1.0451 1.0540 1.0712 1.0606 1.0682 1.0626 1.0598 1.0743 1.0825 1.0516 1.0217 1.0554 1.0607 1.0638 1.0512 1.0484 1.0498 1.0361 1.0505 1.0387 0.9415 0.7346 0.7399 0.8661 1.0058 1.0255 0.9079 0.8964 0.9272 0.7898 0.8068 0.7718 0.7849 0.7003 0.6851 0.8272 0.6496 0.7486 0.7267 0.7054 1.0514 0.7423 1.0390 1.0492 1.0487 1.0311 1.0463 1.0365 1.0361 1.0523 1.0469 1.0395 1.0503 1.0476 1.0339 1.0507 1.0361 1.0496 0.9033 1.0411 0.9490 1.0369 1.0413 1.0434 1.0375 1.0225 1.0467 0.9623 1.0336 1.0361 1.0366 0.9978 0.9972 1.0231 0.9955 1.0250 1.0211 0.9967 0.7316 0.9987 1.0078 1.0088 1.0328 0.9914 1.0013 0.7977 1.0090 1.0369 0.9864 0.8285 0.7374 0.8571 0.8052 0.7881 1.1137 0.8290 0.9912 0.7459 0.8102 0.8689 0.7954 0.8803 0.7719 0.9445 0.6848 0.8113 0.7536 0.7787 0.8632 0.8120 0.9828 0.7716 0.9818 0.6690 0.9747 0.7320 0.8566 0.9884 0.9195 1.0047 0.7803 0.7133 1.0118 0.8893 1.0104 0.8956 0.9898 0.8375 0.7916 0.8168 0.9979 0.8329 0.7545 0.7834 0.8029 0.8894 0.8374 0.8811 0.9907 0.8618 0.9798 0.9809 0.9962 0.8184 0.7969 0.8230 0.9916 0.7988 Oxamide 0.9583 0.9795 0.9974 0.9890 0.9714 0.9444 0.9700 0.9797 0.9926 0.9856 0.8825 0.9708 0.9690 0.9601 0.9617 0.9621 0.9250 0.9656 0.9522 0.6011 0.4174 0.6169 0.6536 0.7357 0.8045 0.7096 0.7207 0.7270 0.5126 0.6984 0.5186 0.3954 0.3823 0.4202 0.5125 0.5152 0.4777 0.7393 0.4431 0.6337 0.7411 0.7355 0.7456 0.7316 0.7481 0.7444 0.8716 0.7515 0.7405 0.7333 0.7379 0.7447 0.7334 0.7437 0.7193 0.6565 0.7294 0.6120 0.8852 0.6306 0.6125 0.6138 0.6121 0.6091 0.6078 0.8721 0.6092 0.6372 0.5997 0.5778 0.6426 0.6364 0.6433 0.6477 0.6035 0.4592 0.6439 0.5973 0.5838 0.6468 0.6208 0.6272 0.5009 0.6071 0.6470 0.6340 0.6035 0.4679 0.6132 0.4424 0.5123 0.7312 0.6323 0.6106 0.5206 0.5837 0.6260 0.6896 0.5387 0.5502 0.7842 0.4384 0.5907 0.4574 0.5286 0.6990 0.6872 0.5651 0.4457 0.6108 0.4507 0.6244 0.4174 0.6333 0.7211 0.7854 0.5227 0.5332 0.8077 0.7039 0.7014 0.6970 0.7239 0.5349 0.6717 0.6847 0.7840 0.5430 0.4872 0.4768 0.5067 0.6769 0.4692 0.7214 0.5840 0.5939 0.5862 0.5411 0.5900 0.5964 0.5858 0.5656 0.5883 0.4732 Oxoadipate Oxoadipic acid 0.8894 0.9252 0.9741 0.8224 0.9237 0.9339 0.9225 0.9313 0.8342 0.8626 0.9241 0.9311 0.9260 0.8444 0.9140 0.9259 0.8966 0.9222 0.9005 1.2293 0.8132 0.8109 0.8713 0.8110 0.9460 0.8201 0.8211 0.8178 0.9212 0.8120 0.8599 0.8030 0.8133 0.8428 1.0321 0.7771 0.8851 0.9029 0.8117 0.7009 0.8061 0.8077 0.8266 0.7510 0.8116 0.7311 0.7953 0.8223 0.7746 0.5770 0.8170 0.7080 0.6513 0.7990 0.7310 0.8155 0.8171 0.8204 0.8130 0.6932 0.8467 0.8508 0.8517 0.8510 0.8459 0.8514 0.8471 0.8490 0.8514 0.7412 0.7912 0.7923 0.7584 0.7488 0.7644 0.7766 0.7951 0.7111 0.7839 0.7839 0.7977 0.7563 0.7240 0.7688 0.7574 0.7863 0.7539 0.7744 0.7819 0.7545 0.7935 0.8010 0.8234 0.7987 0.7973 0.8030 0.8272 0.8196 0.8978 0.7377 0.9998 0.7722 0.8311 0.7535 0.8047 0.8242 0.8114 0.8033 0.8093 0.6312 0.8062 0.6225 0.6648 0.6211 0.6890 1.0450 0.6129 0.8083 0.9013 0.8506 0.8623 0.9299 0.8263 0.8173 0.8220 0.8177 0.9826 0.7811 0.7893 0.7603 0.7525 0.7880 0.7864 0.7498 0.7869 0.7582 0.7704 0.7763 0.7842 0.7755 0.9889 0.7747 0.7883 0.7870 0.8863 0.7819 0.7707 Oxoproline Oxoproline 0.9241 0.9135 0.8659 0.9129 0.9218 0.9406 0.9131 0.9224 0.9244 0.9217 0.9514 0.7318 0.9170 0.9130 0.9175 0.9205 0.9073 0.9906 0.9179 0.9336 0.8976 0.5324 0.9762 1.0400 0.9673 1.1158 0.9710 0.9713 0.9689 0.6280 0.9697 0.5929 0.5516 0.5578 0.5691 0.6644 0.5841 0.5841 0.6104 0.5355 0.9259 0.5422 0.9953 0.9439 0.8312 0.9387 0.9361 0.9412 0.9279 0.9517 0.9110 0.9298 0.9362 0.9357 0.9431 0.9368 0.9357 0.9441 0.9683 0.9279 0.9379 0.9345 0.9396 0.9408 0.9403 0.9345 0.9379 0.9316 0.9342 0.9328 0.9311 0.9615 0.9648 0.9398 0.9647 0.9439 0.9544 0.9659 0.7601 0.9644 0.9652 0.9590 0.9413 0.9389 0.9604 0.9308 0.9653 0.9331 0.9322 0.9665 0.6266 0.9749 0.6925 0.6437 1.0866 0.9718 0.9696 0.6684 0.6535 0.7101 0.9593 0.7370 0.6011 1.0592 0.5759 0.9466 0.6382 0.5755 0.9642 0.9686 0.8822 0.5597 0.8840 0.5161 0.8785 0.5243 0.8409 0.8900 0.9767 1.0805 0.5952 1.1074 0.9713 0.9768 0.9746 0.9702 0.6685 0.9718 0.9652 1.0352 0.6882 0.5620 0.6808 0.9648 0.7183 0.9578 0.9573 0.9730 0.9398 0.6274 0.9570 0.9710 0.9718 0.6486 0.9504 0.6607 palmitic_acid Palmitic acid 0.6844 0.6912 0.7087 0.7039 0.6987 0.6995 0.6940 0.7054 0.7177 0.6971 0.6885 0.6932 0.7036 0.7023 0.6946 0.6746 0.6896 0.7129 0.6943 0.6825 0.8561 0.5904 0.7261 0.9331 0.8714 0.8386 0.7117 0.6999 0.8725 0.7416 0.6931 0.7060 0.5842 0.5516 0.5668 0.8009 0.6453 0.7088 0.6705 0.5794 0.8537 0.5814 0.8635 0.8511 0.8513 0.8417 0.8547 0.8403 0.8443 0.8643 0.8608 0.8426 0.8494 0.8509 0.8421 0.8564 0.8408 0.8641 0.8177 0.8534 0.6762 0.6773 0.6829 0.6789 0.6791 0.6813 0.6709 0.6753 0.6739 0.6718 0.8319 0.6218 0.6452 0.6243 0.6311 0.6436 0.6391 0.6503 0.6015 0.6382 0.6164 0.6313 0.6306 0.8154 0.6435 0.7563 0.6328 0.6485 0.6376 0.6045 0.6481 0.8744 0.6722 0.6883 0.9655 0.8682 0.8660 0.7069 0.7284 0.7851 0.8567 0.8370 0.7359 0.9494 0.5987 0.8307 0.6544 0.7139 0.8612 0.6941 0.3926 0.6969 0.5842 0.6105 0.6006 0.6416 0.8741 0.5601 0.8763 0.9718 0.6874 0.7003 0.9869 0.8738 0.8786 0.8694 0.8751 0.7606 0.6971 0.6919 0.7607 0.8090 0.6954 0.7138 0.6345 0.7064 0.6457 0.7247 0.6909 0.6857 0.6322 0.7782 0.6929 0.6940 0.6934 0.7353 0.6759 0.6887 palmitoleic_acid Palmitoleic acid 0.8634 0.8680 0.8803 0.8750 0.8810 0.8821 0.8728 0.8832 0.8937 0.8670 0.8564 0.8732 0.8627 0.8788 0.8691 0.8626 0.8659 0.8836 0.8696 0.8574 1.0779 0.7382 0.9050 0.9679 0.9061 1.0375 0.9087 0.9040 0.9027 0.8336 0.8962 0.8085 0.7196 0.7292 0.7903 0.8978 0.6607 0.7966 0.8551 0.7343 0.9143 0.6954 0.9093 0.9068 0.9088 0.8973 0.9063 0.8969 0.9011 0.9151 0.9164 0.9004 0.9062 0.9028 0.8967 0.9095 0.9002 0.9133 0.8777 0.9037 0.8465 0.8440 0.8509 0.8506 0.8443 0.8487 0.8453 0.8456 0.8455 0.8397 0.8764 0.8376 0.8534 0.8584 0.8577 0.8618 0.8585 0.8616 0.6784 0.8583 0.8526 0.8565 0.8673 0.8546 0.8737 0.8331 0.8477 0.8708 0.8495 0.8443 0.7977 0.9006 0.8231 0.8154 0.9973 0.8915 0.8933 0.7858 0.8262 0.8476 0.8816 0.9644 0.7834 0.9786 0.8068 0.8766 0.8793 0.8054 0.8881 0.8906 0.7905 0.5988 0.5427 0.5478 0.7964 0.5826 0.8391 0.5041 0.9119 1.0053 0.8635 0.8303 1.0255 0.9069 0.9111 0.9008 0.9067 0.7280 0.8970 0.8927 0.9623 0.8342 0.6663 0.8217 0.8239 0.8842 0.8354 0.8917 0.8858 0.8869 0.8722 0.9529 0.8929 0.8919 0.8834 0.6730 0.8909 0.7911 pelargonic_acid Pelargonic acid 0.7202 0.7482 0.7597 0.7558 0.7386 0.8238 0.7507 0.7257 0.7316 0.7519 0.7898 0.7215 0.8120 0.7650 0.7376 0.7528 0.7265 0.7711 0.7534 0.7502 0.9667 0.7676 0.7942 0.8637 0.8069 0.9513 0.8314 0.8292 0.8076 0.7461 0.7823 0.7788 0.8062 0.7644 0.6777 0.8172 0.7002 0.6270 0.6719 0.7703 0.8116 0.7668 0.8494 0.8581 0.8193 0.8526 0.8208 0.8489 0.7335 0.8135 0.7589 0.8333 0.8178 0.8146 0.8367 0.8209 0.7596 0.8181 0.8195 0.7137 0.7823 0.7691 0.7741 0.7813 0.7685 0.7655 0.7742 0.7670 0.7635 0.7729 0.8038 0.7958 0.7972 0.7487 0.7999 0.7975 0.7829 0.7663 0.7961 0.7944 0.8124 0.7735 0.7918 0.7926 0.7997 0.8004 0.7737 0.8151 0.7831 0.7675 0.8039 0.7242 0.6347 0.9236 0.8198 0.8250 0.8000 0.6537 0.8109 0.8020 0.8859 0.6506 0.9109 0.6486 0.7936 0.6895 0.6118 0.8121 0.8060 0.6891 0.7490 0.6981 0.6179 0.6797 0.6388 1.0378 0.7287 0.7972 0.9023 0.7510 0.5676 0.9255 0.8264 0.8134 0.8202 0.8094 0.7516 0.7988 0.8321 0.8750 0.7972 0.7572 0.7643 0.8176 0.8252 0.7794 0.7872 0.8210 0.8191 0.8136 0.7936 0.8051 0.8266 0.8082 0.7602 0.8060 0.7046 Pentachlorophenol Pentachlorophenol 0.4278 0.6938 0.4622 0.7047 0.6921 0.6996 0.4149 0.7000 0.4147 0.3825 0.7023 0.6876 0.7121 0.6972 0.4222 0.6751 0.6878 0.4372 0.4122 0.4032 1.2241 0.7240 0.8719 0.9452 0.8863 1.0211 0.8967 0.8869 0.8844 0.9711 0.8718 0.9240 0.6460 0.5821 0.7490 1.0343 0.5808 0.9413 0.8708 0.6822 0.7107 0.7522 0.7297 0.7226 0.7338 0.7570 0.7348 0.7271 0.7737 0.7566 0.7199 0.7223 0.7166 0.7262 0.7313 0.7169 0.7772 0.7230 0.7837 0.6982 0.4386 0.4046 0.4173 0.4218 0.6697 0.6678 0.7064 0.6800 0.6920 0.6967 0.7067 0.7110 0.7032 0.6453 0.6547 0.6599 0.6689 0.7114 0.5712 0.6732 0.7008 0.6764 0.6042 0.6644 0.8364 0.8752 0.9043 0.9026 0.8037 0.8186 0.8980 0.9256 1.0215 0.8328 1.0888 0.9022 0.9339 0.7542 0.8528 0.8579 0.9287 0.8471 0.8536 0.5666 0.5194 0.7973 0.2608 0.8775 0.9771 0.9278 0.9260 0.9986 0.8854 0.8826 0.8722 0.8800 1.0170 0.8528 0.8613 0.9035 0.8575 0.9066 0.8958 0.8527 0.8492 0.8506 0.8534 0.8106 0.8333 0.8213 0.9759 0.8294 0.8199 0.8190 0.9383 0.8241 0.8508 pentono_1_4_lactone 0.7728 0.7937 0.8157 0.8566 0.8032 0.8138 0.7845 0.8133 0.8407 0.7699 0.7487 0.8074 0.7981 0.7921 0.7736 0.7908 0.7788 0.7960 0.7931 0.7853 0.8960 0.7936 0.8653 0.8591 0.9562 0.8559 0.8455 0.8564 0.9170 0.8101 0.9023 0.6296 0.7877 0.8251 0.8176 0.7183 0.8493 0.9040 0.7854 0.8955 0.6800 0.8815 0.8932 0.7297 0.8875 0.7343 0.8828 0.8922 0.8866 0.8928 0.7291 0.8934 0.7369 0.8895 0.7954 0.8836 0.7442 0.7334 0.7589 0.7594 0.7404 0.7520 0.7323 0.7241 0.7633 0.7321 0.8759 0.8044 0.7978 0.8642 0.8574 0.8682 0.8599 0.8492 0.6088 0.8266 0.8086 0.7956 0.8745 0.8653 0.8607 0.7518 0.8058 0.8776 0.8594 0.8269 0.6835 0.7858 0.9338 0.9200 0.8562 0.8376 0.9121 0.9398 0.9004 0.8008 0.8674 0.9029 0.8216 0.8674 0.7655 0.8677 0.8143 0.7989 0.8387 0.9463 0.8412 1.0019 0.9008 0.9794 1.4339 0.8493 0.8676 0.9447 0.9251 0.7771 0.9463 0.8381 0.8376 0.8295 0.8558 0.9703 0.8386 0.8436 0.9170 0.8864 0.9403 0.9383 0.8797 0.8244 0.8324 0.8616 0.8178 0.8725 0.8296 0.8726 0.7824 0.8294 0.9610 0.8718 0.8350 Phenanthrene Phenanthrene 0.5455 0.5011 0.5729 0.4967 0.5706 0.5771 0.5564 0.5630 0.5978 0.5652 0.5779 0.4954 0.5630 0.5998 0.5232 0.5555 0.5176 0.5864 0.5707 0.5654 0.8149 0.5739 0.6429 0.6834 0.6778 0.7315 0.6481 0.6769 0.6489 0.7644 0.6245 0.6701 0.5310 0.5300 0.5363 0.7278 0.6382 0.5896 0.5868 0.5435 0.6334 0.5662 0.6404 0.6763 0.6533 0.6446 0.6403 0.6406 0.6328 0.6317 0.6390 0.6228 0.6352 0.6031 0.6034 0.6297 0.6181 0.6731 0.5872 0.6194 0.5514 0.5358 0.5176 0.5414 0.5634 0.5474 0.5135 0.5360 0.5387 0.5353 0.5918 0.5978 0.6068 0.6041 0.5862 0.6436 0.5845 0.6434 0.5550 0.6090 0.6312 0.6060 0.5949 0.5934 0.6266 0.5668 0.5950 0.6350 0.6281 0.5770 0.6644 0.6292 0.6925 0.6173 0.7184 0.6251 0.6206 0.6136 0.6514 0.6753 0.6312 0.7851 0.6378 0.6841 0.5765 0.5908 0.6280 0.6784 0.6482 0.6242 0.5466 0.7169 0.7599 0.6594 0.6667 0.7527 0.8407 0.5523 0.7074 0.7310 0.6478 0.6484 0.7738 0.6692 0.6733 0.6424 0.6525 0.6776 0.6308 0.6963 0.6745 0.6887 0.6369 0.5936 0.5428 0.6235 0.6072 0.6244 0.6109 0.6263 0.5909 0.7038 0.6163 0.6246 0.6145 0.7544 0.6110 0.6749 Phenylalanine Phenylalanine 0.8081 0.7439 0.8463 0.8145 0.8179 0.7720 0.8314 0.8067 0.8104 0.8257 0.8203 0.8063 0.8022 0.8345 0.8252 0.8190 0.8070 0.7704 0.8303 0.8267 0.7021 0.5382 0.8087 0.8495 0.8557 0.9542 0.8415 0.8643 0.8340 0.6123 0.8329 0.5501 0.5722 0.4773 0.4582 0.5680 0.5741 0.6141 0.4977 0.4704 0.8478 0.5854 0.8237 0.8539 0.8484 0.8519 0.8502 0.8558 0.8527 0.8476 0.8597 0.8475 0.8378 0.8479 0.8555 0.8367 0.8535 0.8500 0.8504 0.8438 0.8253 0.8090 0.8314 0.8271 0.8246 0.8182 0.8285 0.8219 0.7739 0.8225 0.8272 0.8387 0.8153 0.8192 0.8499 0.8403 0.8356 0.8508 0.5370 0.8415 0.8511 0.7903 0.8360 0.8071 0.8288 0.6287 0.8476 0.8175 0.7974 0.8322 0.5973 0.8455 0.6262 0.9462 0.8389 0.7609 0.6970 0.6604 0.8350 0.6671 0.5944 0.8941 0.5055 0.5590 0.5414 0.6606 0.8388 0.7845 0.6656 0.5191 0.7113 0.7102 0.5942 0.6804 0.7515 0.8650 0.9439 0.4885 0.6302 0.9736 0.8364 0.8152 0.8457 0.8613 0.6983 0.8527 0.7831 0.9038 0.6518 0.6931 0.6457 0.5574 0.8199 0.5817 0.8537 0.6985 0.8311 0.6509 0.6637 0.7395 0.7890 0.8097 0.6046 0.7137 0.6317 Phenylpyruvic_acid Phenylpyruvic acid 0.9801 0.9979 1.0149 1.0099 1.0012 0.9324 1.0022 1.0010 1.0086 0.9827 0.9419 0.9876 0.9383 1.0067 0.9944 0.9954 0.9912 0.9309 1.0038 0.9932 1.0986 0.7335 0.8028 0.8675 0.8551 0.9462 0.8218 0.8342 0.8460 0.8079 0.7948 0.6743 0.7598 0.7774 0.7721 0.8911 0.7768 0.7076 0.7899 0.7754 0.9337 0.7392 0.8085 0.9340 0.8874 0.9390 0.9276 0.9426 0.9311 0.8950 0.9447 0.9312 0.8959 0.9321 0.9317 0.8916 0.9332 0.8992 0.8246 0.9294 0.8635 0.8422 0.8678 0.8666 0.8622 0.8748 0.8575 0.8643 0.8565 0.8577 0.8700 0.7921 0.7772 0.8423 0.8696 0.8455 0.8376 0.8741 0.7206 0.7570 0.7838 0.8083 0.8574 0.8786 0.8813 0.8015 0.8021 0.8499 0.7990 0.7767 0.7263 0.8004 0.7525 0.7848 0.9019 0.8073 0.7883 0.7702 0.7618 0.7997 0.7890 0.8532 0.7601 0.8860 0.6467 0.8018 0.7898 0.7249 0.8004 0.8167 0.8268 0.6989 0.8382 0.6294 0.7943 0.6546 1.0978 0.8438 0.8177 0.9033 0.6813 0.7592 0.9319 0.8194 0.8080 0.8229 0.8340 0.7327 0.7925 0.8194 0.8920 0.8053 0.7455 0.7593 0.8265 0.8017 0.7917 0.7666 0.7997 0.8009 0.7974 0.9676 0.8317 0.8038 0.7985 0.8453 0.7915 0.7824 phosphate Phosphoric acid 0.8094 0.8104 0.8077 0.7922 0.8208 0.8202 0.8178 0.8312 0.8246 0.7820 0.7733 0.8076 0.8088 0.8012 0.7944 0.8055 0.7942 0.6660 0.8092 0.7958 0.6081 0.4525 0.6827 0.7792 0.7775 0.9004 0.7744 0.7420 0.7818 0.3937 0.7526 0.3712 0.2929 0.3979 0.4513 0.4928 0.5394 0.8692 0.7260 0.8664 0.8660 0.8458 0.8630 0.8540 0.8533 0.8683 0.8578 0.8592 0.8673 0.8650 0.8580 0.8669 0.8586 0.8611 0.7960 0.8663 0.7342 0.7254 0.7386 0.7324 0.7296 0.7085 0.7389 0.7361 0.7030 0.7341 0.8554 0.7880 0.7779 0.8460 0.8069 0.7976 0.8016 0.8001 0.5349 0.7375 0.7739 0.7808 0.8514 0.8033 0.8080 0.7477 0.7774 0.8554 0.7784 0.7617 0.5415 0.7465 0.4126 0.8349 0.7459 0.7438 0.4217 0.7412 0.5680 0.6229 0.4298 0.6804 0.4645 0.7482 0.5798 0.6390 0.6860 0.5829 0.7047 0.7729 0.8637 0.8832 0.7711 0.7458 0.7825 0.7830 0.7493 0.7377 0.8373 0.5621 0.5387 0.7673 0.5143 0.7368 0.7240 0.7747 0.7024 0.6935 0.7177 0.7450 0.7160 phosphoenolpyruvate Phosphoenolpyruvic acid 0.4784 0.4468 0.4698 0.4770 0.4850 0.4592 0.4655 0.5091 0.4993 0.4643 0.5085 0.4615 0.5135 0.4965 0.4850 0.4562 0.5056 0.4447 0.4652 0.4681 0.7374 0.5498 0.5714 0.6355 0.5446 0.6730 0.5889 0.5915 0.5821 0.4921 0.4649 0.4804 0.5878 0.5418 0.5300 0.6166 0.6828 0.5361 0.5658 0.7107 0.4362 0.6013 0.6261 0.6378 0.6123 0.6132 0.6216 0.5977 0.6028 0.6006 0.7086 0.6050 0.7091 0.6678 0.6904 0.6580 0.6564 0.5786 0.6591 0.5120 0.3988 0.4293 0.5167 0.4141 0.4614 0.5111 0.4406 0.4973 0.5177 0.6242 0.4946 0.5480 0.5540 0.5524 0.5681 0.5582 0.5449 0.4647 0.5420 0.5339 0.5465 0.5734 0.5611 0.5823 0.5481 0.5470 0.5492 0.5639 0.5468 0.6801 0.6087 0.5410 0.5006 0.6813 0.5978 0.5201 0.5038 0.5352 0.6024 0.6931 0.4739 0.6687 0.5647 0.6017 0.5836 0.6038 0.6125 0.3679 0.4186 0.3407 0.3821 0.3448 0.4053 0.6327 0.6843 0.6211 0.5146 0.7132 0.6259 0.6357 0.6219 0.6228 0.5680 0.6194 0.6190 0.6612 0.5397 0.4885 0.5111 0.5174 0.6109 0.6110 0.6129 0.4743 0.5790 0.4620 0.6474 0.4578 0.5854 0.5761 0.5462 0.5828 0.5257 Phosphonoacetate Phosphonoacetate 0.6177 0.4999 0.4939 0.4936 0.5058 0.5045 0.4988 0.4763 0.4983 0.5330 0.5304 0.5358 0.4774 0.5180 0.5051 0.7574 0.6520 0.6128 0.6142 0.5827 0.6141 0.5948 0.5787 0.5476 0.5120 0.5955 0.5872 0.6551 0.6254 0.6843 0.6570 0.6586 0.5859 0.7079 0.6482 0.6112 0.5264 0.5749 0.5176 0.5084 0.4776 0.4890 0.4947 0.5203 0.5429 0.5490 0.4930 0.5184 0.5301 0.4947 0.5219 0.5550 0.5344 0.5348 0.4666 0.4836 0.5231 0.5084 0.4561 0.5290 0.4763 0.5043 0.5249 0.5081 0.5426 0.5272 0.5451 0.5398 0.5805 0.5361 0.5442 0.5411 0.5434 0.4931 0.5265 0.5272 0.5511 0.5202 0.5158 0.7553 0.6275 0.5742 0.6048 0.5968 0.5748 0.6250 0.6265 0.6704 0.5575 0.6871 0.5685 0.6594 0.6510 0.5882 0.6677 0.6214 0.5800 0.5517 0.5382 0.5298 0.5223 0.5003 0.5557 0.4300 0.7971 0.5559 0.4755 0.6735 0.5609 0.5410 0.6524 0.5178 0.5576 0.5202 0.5231 0.6207 0.6360 0.5482 0.6513 0.5674 0.5714 0.5523 0.5369 0.5994 0.5491 0.5617 0.5792 0.6128 0.5606 0.6776 0.5856 0.5868 0.5937 0.6265 0.5981 0.5470 Phosphoric_acid Phosphoric acid 0.6358 0.6232 0.6447 0.6450 0.6406 0.6576 0.6576 0.6444 0.6709 0.6549 0.6481 0.6255 0.6444 0.6488 0.5967 0.6331 0.5886 0.6124 0.6468 0.6322 0.8205 0.5308 0.6464 0.6666 0.6393 0.7161 0.6608 0.6328 0.6387 0.6184 0.5707 0.5862 0.5241 0.5891 0.7535 0.6189 0.5765 0.6104 0.5591 0.6275 0.5986 0.7625 0.6304 0.6475 0.6388 0.6571 0.6484 0.6453 0.6575 0.6561 0.5997 0.6613 0.6344 0.6323 0.6572 0.6437 0.6461 0.6414 0.6180 0.6064 0.5791 0.6163 0.6262 0.5948 0.5887 0.5965 0.5970 0.5701 0.6222 0.5960 0.6632 0.5756 0.5911 0.6265 0.6177 0.6106 0.6275 0.5616 0.6925 0.5966 0.5814 0.6023 0.5984 0.6119 0.5515 0.6011 0.6005 0.7261 0.6098 0.6745 0.6321 0.6182 0.6062 0.7051 0.6211 0.6081 0.6468 0.6172 0.6801 0.6111 0.7793 0.6888 0.5954 0.6284 0.6563 0.8128 0.5909 0.6250 0.5217 0.6011 0.5415 0.4819 0.5282 0.4967 0.8323 0.5618 0.6028 0.6997 0.7424 0.7402 0.6793 0.6341 0.6129 0.6093 0.6262 0.8524 0.6389 0.6240 0.6583 0.6171 0.7377 0.6040 0.5733 0.6159 0.6061 0.6736 0.6121 0.6173 0.6043 0.8785 0.5915 0.6405 0.6081 0.7186 0.6158 0.5865 Phosphorylcholine Choline phosphate 1.0320 1.0326 1.0478 1.0411 1.0484 1.0501 1.0424 1.0574 1.0665 1.0389 0.9367 1.0401 0.9540 1.0463 1.0327 1.0307 1.0365 1.0431 1.0363 1.0218 1.2745 0.9007 1.0081 1.0802 1.0091 1.1543 1.0106 1.0085 1.0068 1.0142 1.0013 1.0286 0.9434 0.9454 0.9897 1.0923 0.8317 0.9935 1.0481 0.9497 1.0263 0.9213 1.0219 1.0211 1.0242 1.0094 1.0172 1.0096 1.0117 1.0264 1.0252 1.0180 1.0204 1.0248 1.0119 1.0250 1.0144 1.0287 0.9970 1.0163 1.0197 1.0130 1.0248 1.0248 1.0134 1.0225 1.0181 1.0131 1.0162 1.0099 0.9930 0.9634 0.9713 0.9803 0.9819 0.9868 0.9822 0.9798 0.9403 0.9774 0.9759 0.9752 0.9895 0.9816 0.9942 0.9736 0.9715 0.9926 0.9678 0.9730 0.9880 1.0104 1.0268 0.8449 0.8966 0.8574 0.8450 0.9584 1.0302 0.9680 0.9918 1.1249 0.9738 1.1006 0.9822 0.9983 1.0530 0.9864 0.9921 0.9990 1.0062 0.6098 1.0084 0.7598 1.0204 0.5440 1.0582 1.0112 1.0196 1.1196 1.0408 1.0281 1.1434 1.0112 1.0138 1.0029 1.0079 1.0276 1.0075 1.0003 1.0813 0.9911 0.9458 1.0067 0.9801 0.9941 0.9901 1 0.9982 0.9985 0.9985 1.1481 1.0043 1.0048 0.9977 1.0132 1.0045 0.9937 Phosphoserine Phosphoserine 0.9720 0.9662 0.9828 0.9711 0.9746 0.9521 0.9668 0.9783 0.9843 0.9604 0.9350 0.9779 0.9233 0.9766 0.9607 0.9637 0.9628 0.9273 0.9655 0.9475 0.8656 0.5794 0.6798 1.0008 0.9467 1.0783 0.9108 0.9335 0.9398 0.6591 0.8680 0.6253 0.5469 0.5654 0.6061 0.7287 0.6454 0.6538 0.6181 0.6003 1.0251 0.6248 0.9859 1.0233 1.0317 1.0161 1.0303 1.0193 1.0232 1.0365 1.0335 1.0145 1.0361 1.0293 1.0185 1.0344 1.0221 0.9579 1.0025 1.0314 0.9079 0.9210 0.9169 0.9216 0.9184 0.9117 0.9179 0.9118 0.9216 0.9216 0.9232 0.9478 0.9605 0.9336 0.9681 0.9439 0.9489 0.9737 0.9141 0.9561 0.9817 0.9694 0.9344 0.9356 0.9601 1.0112 0.9691 0.9234 0.9334 0.9956 0.6591 0.9681 0.6693 0.6539 1.0774 0.6679 0.9584 0.6682 0.6660 0.7483 0.9007 0.7962 0.6422 1.0160 0.6120 0.9372 0.6610 0.6625 0.7903 0.9393 0.8149 0.6194 0.8042 0.5020 0.8218 0.4948 0.8726 0.8264 0.8117 0.8942 0.6541 0.6359 1.0690 0.9440 0.9357 0.7769 0.9458 0.6947 0.8464 0.6701 0.8559 0.8988 0.6342 0.6367 0.9056 0.8836 0.9288 0.8962 0.6824 0.8433 0.6336 0.7533 0.8906 0.9058 0.8882 0.6770 0.9093 0.6178 p_hydroxylphenyllactic_acid 4-Hydroxyphenyllactic acid 0.5774 0.5300 0.5775 0.4913 0.5491 0.5861 0.5633 0.5657 0.5873 0.5824 0.5378 0.5921 0.4918 0.5891 0.5573 0.5830 0.5744 0.5937 0.5830 0.5704 0.9560 0.6192 0.6728 0.7057 0.6847 0.7583 0.6383 0.6810 0.5999 0.7590 0.6246 0.7130 0.6691 0.5890 0.5738 0.7947 0.5739 0.6850 0.6181 0.6088 0.6622 0.6071 0.6493 0.7063 0.6919 0.7149 0.6776 0.6882 0.6760 0.6199 0.6734 0.6790 0.6731 0.6694 0.6499 0.6616 0.7000 0.6879 0.6276 0.6432 0.5613 0.3997 0.5151 0.5222 0.5692 0.5606 0.5296 0.5145 0.5401 0.4773 0.6609 0.6372 0.6442 0.6678 0.6545 0.6983 0.6592 0.6534 0.5545 0.6616 0.6519 0.6444 0.6643 0.6489 0.6675 0.6410 0.6452 0.6668 0.6571 0.6855 0.5963 0.6217 0.7322 0.6909 0.7708 0.6769 0.6831 0.7110 0.7555 0.7700 0.6668 0.8698 0.6885 0.7455 0.6229 0.6523 0.6857 0.6998 0.6445 0.6460 0.4595 0.6185 0.5306 0.5288 0.4928 0.5438 0.7159 0.4894 0.6742 0.7360 0.7322 0.7201 0.7967 0.6815 0.6622 0.6567 0.6775 0.7801 0.6034 0.6911 0.6534 0.7049 0.7345 0.6692 0.6371 0.5698 0.6699 0.5960 0.6323 0.6523 0.6021 0.7603 0.6034 0.6820 0.5728 0.8046 0.6267 0.7105 P_Hydroxyphenylacetic_acid 4-Hydroxyphenylacetic acid 0.5728 0.5640 0.5616 0.6089 0.6142 0.5877 0.5970 0.6191 0.6014 0.5960 0.5859 0.6794 0.5989 0.5817 0.6014 0.5996 0.6107 0.5889 0.5728 0.9244 0.5735 0.6277 0.6459 0.5938 0.7541 0.6634 0.6504 0.6123 0.6719 0.7271 0.6080 0.5764 0.5771 0.5922 0.7535 0.6494 0.6568 0.6475 0.5836 0.5619 0.5535 0.6041 0.5777 0.6300 0.5776 0.5979 0.5631 0.5813 0.6075 0.5971 0.5586 0.6012 0.6111 0.5890 0.6228 0.5824 0.5891 0.5515 0.5971 0.5587 0.5686 0.5814 0.5743 0.5735 0.5794 0.5634 0.5685 0.5581 0.5737 0.6012 0.7223 0.6410 0.6030 0.5667 0.6098 0.5851 0.6201 0.5442 0.7535 0.7076 0.7206 0.5903 0.6204 0.6078 0.5802 0.7355 0.6077 0.7818 0.5736 0.6342 0.5722 0.6515 0.6722 0.8615 0.5449 0.5971 0.6351 0.6587 0.7302 0.7402 0.7772 0.6354 0.8231 0.5922 0.5859 0.6397 0.6460 0.6171 0.5950 0.4805 0.5507 0.4699 0.4723 0.6282 0.8586 0.4671 0.5914 0.6793 0.6442 0.6442 0.7139 0.6395 0.7850 0.6112 0.6178 0.7243 0.7834 0.5793 0.6411 0.5859 0.6285 0.6018 0.5965 0.6348 0.7850 0.5891 0.7126 0.5913 0.7571 0.5765 0.6009 0.6106 0.6848 0.5148 0.5883 phytol Phytol 0.9340 0.9415 0.9540 0.9511 0.9537 0.9537 0.9465 0.9578 0.9685 0.9430 0.7986 0.9461 0.8147 0.9509 0.9400 0.9396 0.9382 0.9535 0.9426 0.9325 1.2109 0.8347 0.9300 0.9978 0.9334 1.0669 0.9359 0.9287 0.9294 0.9332 0.9266 0.8793 0.8036 0.8241 0.9129 1.0463 0.6617 0.8879 0.9859 0.8273 0.9438 0.6995 0.9491 0.9409 0.9439 0.9288 0.9399 0.9288 0.9326 0.9480 0.9441 0.9338 0.9424 0.9391 0.9276 0.9425 0.9334 0.9471 0.9158 0.9367 0.9340 0.9342 0.9401 0.9402 0.9307 0.9380 0.9323 0.9299 0.9338 0.9274 0.9227 0.8871 0.8964 0.9085 0.9073 0.9129 0.9066 0.9059 0.7070 0.9039 0.9002 0.9013 0.9138 0.9060 0.9206 0.8909 0.8986 0.9191 0.9078 0.8954 0.8288 0.9328 0.6979 0.8420 1.0371 0.9290 0.9268 0.8409 0.8638 0.9152 0.9169 1.0383 0.8543 1.0167 0.9131 0.9146 0.9895 0.8871 0.9181 0.9240 0.9105 0.5459 0.9066 0.7202 0.9263 0.5117 0.8595 0.9118 0.9393 1.0329 0.9122 0.8758 1.0543 0.9335 0.9373 0.9262 0.9314 0.9219 0.9338 0.9251 1.0011 0.8887 0.8547 0.8953 0.8768 0.9188 0.8469 0.9253 0.9240 0.9210 0.9229 1.0842 0.9293 0.9292 0.9189 0.9360 0.9318 0.8477 piceatannol Piceatannol 0.4016 0.4028 0.4246 0.5298 0.5417 0.5236 0.6565 0.5212 0.5286 0.3274 0.4152 0.3284 0.4450 0.5010 0.5076 0.4058 0.5011 0.8487 0.5400 0.6320 0.6926 0.6553 0.7570 0.6685 0.6580 0.6584 0.6986 0.6229 0.6692 0.4790 0.4142 0.4918 0.7153 0.5060 0.6724 0.5979 0.4907 0.5065 0.5629 0.4792 0.5070 0.4666 0.4923 0.5125 0.4853 0.4898 0.5218 0.4879 0.4792 0.4929 0.4595 0.4644 0.4917 0.4696 0.5184 0.5073 0.5248 0.4388 0.4208 0.4545 0.4380 0.4216 0.4149 0.4174 0.4423 0.4384 0.4467 0.5018 0.4444 0.4535 0.4551 0.4656 0.4631 0.4198 0.4454 0.5914 0.4703 0.4586 0.4581 0.4314 0.4455 0.4670 0.4630 0.4268 0.4555 0.4111 0.4523 0.6069 0.4556 0.6042 0.6270 0.6104 0.5439 0.5603 0.6069 0.6451 0.7177 0.5686 0.7252 0.6202 0.6448 0.5238 0.5842 0.5734 0.6294 0.5808 0.5875 0.5621 0.8929 0.6924 0.7589 0.7215 0.7934 0.8428 0.7092 0.6302 0.7191 0.6706 0.6751 0.7370 0.6519 0.6444 0.6394 0.6416 0.7209 0.5841 0.6041 0.6300 0.5956 0.6327 0.6233 0.5875 0.5890 0.5870 0.5967 0.5587 0.5570 0.5569 0.6597 0.5579 0.5608 0.5577 0.6229 0.5548 0.5850 Podophyllotoxin 0.3420 0.3595 0.3501 0.3701 0.3870 0.3808 0.3867 0.3519 0.3726 0.3656 0.3814 0.3344 0.3535 0.3521 0.3495 0.3276 0.3461 0.3564 0.3426 0.3410 0.7145 0.4972 0.3867 0.4402 0.4212 0.4485 0.4192 0.3930 0.4052 0.5169 0.4208 0.4788 0.5164 0.4991 0.5081 0.6056 0.5969 0.5152 0.5486 0.5184 0.4996 0.5846 0.5001 0.4991 0.4970 0.4760 0.4910 0.4894 0.4744 0.4828 0.4734 0.4854 0.4924 0.5043 0.4942 0.4911 0.5061 0.4852 0.4991 0.5079 0.3347 0.3431 0.3429 0.3307 0.3575 0.3360 0.3720 0.3339 0.3422 0.3733 0.4811 0.4751 0.4659 0.4558 0.4776 0.4462 0.4603 0.4674 0.5775 0.4777 0.4644 0.4836 0.4734 0.4889 0.4741 0.4692 0.4693 0.4903 0.4706 0.4722 0.5762 0.4364 0.4790 0.5108 0.4700 0.4239 0.4204 0.5012 0.5255 0.5609 0.3906 0.6347 0.4303 0.4294 0.4729 0.3962 0.5178 0.5141 0.4126 0.3967 0.3050 0.4015 0.2937 0.3279 0.3148 0.3391 0.6306 0.2936 0.4003 0.4409 0.4367 0.4876 0.4591 0.3874 0.3992 0.3919 0.3908 0.5333 0.4212 0.4201 0.4269 0.4360 0.4728 0.4715 0.4280 0.3987 0.4367 0.4170 0.4278 0.4203 0.4105 0.5997 0.4367 0.4313 0.4200 0.5261 0.4232 0.4548 Proline Proline 0.6925 0.6781 0.6723 0.6701 0.6907 0.7289 0.6687 0.6866 0.5583 0.6804 0.7646 0.6898 0.6957 0.7320 0.6817 0.6869 0.6784 0.7811 0.6782 0.6903 0.7445 0.7781 0.7419 0.8708 0.7553 0.7422 0.7496 0.5320 0.7278 0.5058 0.7014 0.8673 0.7581 0.7221 0.7213 0.7230 0.7215 0.7271 0.7573 0.7206 0.6992 0.7240 0.7059 0.7171 0.7105 0.7063 0.7989 0.7232 0.7151 0.6659 0.6788 0.6650 0.6728 0.6784 0.6735 0.6908 0.6920 0.6896 0.6821 0.7647 0.8295 0.8364 0.7726 0.8251 0.7722 0.8020 0.8301 0.5506 0.8094 0.7905 0.8373 0.7670 0.7699 0.7746 0.7289 0.8373 0.7709 0.7922 0.7865 0.7882 0.4606 0.5742 0.8774 0.7767 0.7761 0.5181 0.5672 0.7647 0.5357 0.8649 0.7454 0.5662 0.7818 0.7675 0.6169 0.6076 0.3416 0.5864 0.6288 0.7531 0.8320 0.8523 0.7921 0.7461 0.7723 0.7681 0.7458 0.7528 0.8168 0.6550 0.5542 0.5279 0.4948 0.7783 0.4997 0.7513 0.7894 0.7656 0.7280 0.7649 0.7700 0.7956 0.7421 0.4784 pseudo_uridine Pseudouridine 0.7269 0.7285 0.7468 0.7508 0.7462 0.7465 0.7316 0.7452 0.7575 0.7392 0.6603 0.7369 0.6677 0.7513 0.7340 0.7138 0.7324 0.7571 0.7348 0.7227 1.0919 0.6739 0.8289 0.8793 0.8240 0.7688 0.8212 0.8198 0.8160 0.8750 0.8132 0.8273 0.6892 0.5965 0.7192 0.9438 0.6598 0.8384 0.8207 0.6654 0.7958 0.6226 0.7937 0.7899 0.7761 0.6088 0.7875 0.7682 0.7730 0.7950 0.7828 0.7802 0.7841 0.7834 0.7675 0.8256 0.7745 0.7963 0.7524 0.7822 0.7168 0.7258 0.7228 0.7237 0.7200 0.7251 0.7160 0.7208 0.7195 0.7159 0.7604 0.7512 0.7650 0.7593 0.7611 0.7673 0.6431 0.7754 0.6171 0.7628 0.7304 0.7522 0.7507 0.7528 0.7732 0.6991 0.7618 0.7764 0.7630 0.7288 0.7426 0.7972 0.8106 0.8454 0.8882 0.7936 0.7889 0.8189 0.8364 0.8714 0.7884 0.9807 0.8268 0.8906 0.7479 0.7812 0.8025 0.8288 0.7919 0.7998 0.5085 0.6249 0.4845 0.4957 0.7187 0.6137 0.7568 0.6995 0.8128 0.9065 0.8380 0.8320 0.9358 0.8219 0.8202 0.8085 0.8172 0.9229 0.8012 0.6448 0.7017 0.7735 0.8146 0.8026 0.7589 0.8041 0.7697 0.6333 0.7955 0.7949 0.7816 0.9555 0.8040 0.8065 0.7957 0.8787 0.7893 0.7989 Psicose Psicose 0.9432 0.9455 0.9738 1.0248 0.9584 0.9708 0.9422 0.9725 0.9975 1.0114 0.9125 0.9661 1.0057 0.9458 0.9299 0.9429 0.9381 0.9568 0.9426 0.9386 0.9844 0.8436 1.0002 1.0388 0.9705 1.0877 0.9614 0.9594 0.9670 0.9400 1.0731 0.8263 0.8334 0.8780 0.8044 0.7376 1.0420 1.0071 0.9166 1.0353 0.8618 1.0142 1.0072 1.0148 1.0123 1.0110 1.0134 1.0176 1.0342 1.0277 1.0216 1.0335 1.0322 1.0191 1.0132 1.0124 0.9282 1.0114 0.8742 0.8864 0.8832 0.8832 0.8770 0.8812 0.8702 0.8684 0.8936 0.8765 0.9986 0.9386 0.9423 0.9828 0.9772 0.9864 0.9795 0.9712 0.8169 0.9590 0.9093 0.9412 1.0015 0.9846 0.9816 0.9315 0.9499 0.9979 0.9863 0.9446 0.7814 1.0075 1.0441 1.0471 0.9476 0.9956 1.0331 1.0727 1.0408 0.9106 0.8971 1.0342 1.0404 0.8655 0.9620 0.9391 1.0302 0.8982 0.9455 1.0252 1.1097 1.0200 1.1227 1.0431 1.1013 1.7066 1.0274 0.9669 1.0535 1.0404 1.0318 1.0666 0.9478 0.9616 0.9263 0.9615 1.0143 0.9600 0.9500 1.0299 0.9786 1.0409 1.0315 0.9616 0.9204 0.9680 0.9492 0.9611 0.9271 0.9732 0.8983 0.9782 0.9511 0.9333 1.0030 0.9723 1.0016 Purine Purine 0.6012 0.6426 0.6554 0.6397 0.6448 0.5858 0.6398 0.6207 0.5808 0.6150 0.9506 0.5853 0.9258 0.6502 0.6392 0.6433 0.6354 0.6119 0.6386 0.6388 1.1070 0.6661 0.6897 0.7352 0.6766 0.7918 0.6955 0.5619 0.6819 0.7753 0.6998 0.7547 0.6695 0.6642 0.6969 0.8789 0.8261 0.7679 0.7744 0.7607 0.6510 0.6453 0.6718 0.6975 0.6343 0.6969 0.6294 0.6951 0.7040 0.6269 0.7037 0.6772 0.6289 0.6744 0.6838 0.6279 0.6883 0.6298 0.6607 0.6832 0.5595 0.5753 0.5642 0.5603 0.5671 0.5702 0.5630 0.5380 0.5796 0.4969 0.6579 0.6802 0.6848 0.6603 0.6720 0.6624 0.6644 0.6725 0.5383 0.6731 0.6825 0.6896 0.6559 0.6571 0.6731 0.6827 0.6765 0.6531 0.6489 0.6780 0.6889 0.6620 0.7123 0.7334 0.7421 0.6656 0.6821 0.7542 0.7443 0.8369 0.7079 0.9503 0.7518 0.7767 0.7062 0.7032 0.8223 0.8023 0.7166 0.7109 0.4522 0.6487 0.4531 0.5372 0.4446 0.5648 0.7993 0.4528 0.7005 0.7850 0.7365 0.7522 0.8046 0.7074 0.7215 0.7181 0.7121 0.8572 0.6899 0.6950 0.7379 0.6904 0.7378 0.7192 0.6894 0.6932 0.7312 0.6796 0.6819 0.6944 0.6746 0.8736 0.6820 0.6890 0.6874 0.8056 0.6756 0.7028 Putrescine Putrescine 0.8063 0.8112 0.8025 0.7955 0.8144 0.8046 0.8036 0.8096 0.8021 0.7856 0.7939 0.8076 0.8013 0.8186 0.8118 0.8021 0.7989 0.8258 0.6417 0.8040 0.9310 0.6541 0.8866 0.9453 0.8809 1.0107 0.8831 0.8842 0.8815 0.7533 0.8770 0.6874 0.6810 0.6270 0.7210 0.7631 0.6624 0.6850 0.8647 0.6623 0.9664 0.8760 0.8756 0.7044 0.8704 0.8730 0.8637 0.8800 0.8834 0.7799 0.8695 0.8713 0.8685 0.8693 0.8712 0.8765 0.8620 0.8654 0.7813 0.7870 0.7847 0.7843 0.7854 0.7892 0.7832 0.7835 0.7916 0.7813 0.7622 0.9201 0.9314 0.8520 0.8758 0.8579 0.8557 0.9283 0.7104 0.9390 0.8546 0.9340 0.8616 0.8743 0.8663 0.7669 0.9406 0.7567 0.8530 0.7138 0.8861 0.7483 0.9886 0.8806 0.8782 0.7606 0.8140 0.8736 0.8977 0.6845 0.9653 0.6892 0.8613 0.8774 0.8773 0.7548 0.7085 0.5850 0.7363 1.0731 0.5548 0.8853 0.7889 0.6101 0.6641 1.0091 0.8890 0.9444 0.8874 0.8852 0.7219 0.8828 0.8716 0.9385 0.7718 0.7708 0.6068 0.7338 0.8727 0.6536 0.8755 0.8642 0.8743 0.8032 0.9098 0.8674 0.8750 0.8667 0.7694 0.8573 0.6891 Pylloquinone 0.5109 0.5435 0.5586 0.5528 0.5639 0.5326 0.5554 0.5710 0.5739 0.5569 0.5464 0.5230 0.5474 0.5188 0.5251 0.5180 0.5404 0.5348 0.5350 0.5249 0.9456 0.6577 0.5884 0.6176 0.5874 0.6538 0.5764 0.5947 0.5842 0.7069 0.5730 0.6473 0.6661 0.6547 0.6517 0.7847 0.7990 0.6649 0.7000 0.6752 0.6561 0.7805 0.6744 0.6674 0.6635 0.6620 0.6524 0.6485 0.6525 0.6579 0.6601 0.6611 0.6665 0.6730 0.6579 0.6613 0.6694 0.6630 0.6591 0.6705 0.5247 0.5463 0.5269 0.5228 0.5236 0.5410 0.5214 0.5232 0.5442 0.5386 0.6711 0.6324 0.6472 0.6548 0.6379 0.6521 0.6401 0.6279 0.7870 0.6535 0.6459 0.6504 0.6610 0.6534 0.6492 0.6392 0.6442 0.6557 0.6506 0.6436 0.7780 0.5868 0.6279 0.6428 0.6496 0.6101 0.5665 0.6538 0.6732 0.7247 0.5804 0.8422 0.6148 0.6211 0.6343 0.5614 0.6934 0.6605 0.5659 0.5766 0.4619 0.6499 0.4791 0.4970 0.4758 0.5501 1.0384 0.4657 0.5678 0.6426 0.6123 0.6096 0.6432 0.5527 0.5765 0.5657 0.5784 0.7181 0.5867 0.5882 0.6241 0.5907 0.6401 0.6308 0.5735 0.5715 0.5773 0.5975 0.5644 0.5956 0.5708 0.7988 0.5729 0.5748 0.5757 0.7279 0.5770 0.6239 Pyridoxamine Pyridoxamine 0.6046 0.5782 0.6027 0.5975 0.6183 0.6012 0.6150 0.6229 0.6327 0.5966 0.6787 0.6379 0.6259 0.6108 0.6166 0.5737 0.6102 0.6192 0.5958 0.5913 1.0695 0.7458 0.6997 0.7373 0.6904 0.8031 0.7181 0.7133 0.7189 0.8277 0.6700 0.7338 0.7505 0.6935 0.7537 0.8701 0.9170 0.7584 0.8046 0.7277 0.6859 0.6862 0.7149 0.6907 0.6855 0.5671 0.7001 0.6883 0.6842 0.7114 0.6903 0.6744 0.6954 0.6922 0.6835 0.7210 0.6807 0.7296 0.6868 0.7021 0.6117 0.6081 0.5931 0.6379 0.6051 0.6005 0.6123 0.6045 0.6130 0.5945 0.6789 0.6661 0.7047 0.6764 0.6876 0.6957 0.6867 0.6822 0.6291 0.6910 0.6644 0.6871 0.6869 0.6853 0.7126 0.6675 0.6939 0.6975 0.6958 0.6480 0.7531 0.6833 0.8477 0.8454 0.7781 0.7022 0.7075 0.7505 0.7598 0.8927 0.6909 0.9688 0.7585 0.7439 0.7583 0.6790 0.7940 0.7961 0.6735 0.6712 0.4173 0.5765 0.4238 0.4556 0.5300 0.5258 0.8457 0.4124 0.6981 0.7525 0.7461 0.7526 0.7832 0.7049 0.7225 0.7047 0.6945 0.8588 0.6916 0.7185 0.7710 0.7223 0.7679 0.7522 0.6828 0.6849 0.8055 0.6923 0.7225 0.6895 0.7023 0.9714 0.7071 0.7031 0.7498 0.8520 0.7112 0.7171 Pyridoxine Pyridoxine 0.6236 0.6061 0.6298 0.6294 0.6409 0.6306 0.6389 0.6435 0.6548 0.6234 0.6792 0.6531 0.6468 0.6336 0.6365 0.6072 0.6331 0.6496 0.6209 0.6163 1.1073 0.7670 0.7292 0.7718 0.7251 0.8330 0.7404 0.7389 0.7402 0.8594 0.6940 0.7681 0.7721 0.7111 0.7857 0.9036 0.9287 0.7876 0.8331 0.7495 0.7372 0.7237 0.7583 0.7434 0.7395 0.7357 0.7466 0.7371 0.7347 0.7527 0.7453 0.7261 0.7437 0.7369 0.7329 0.7561 0.7286 0.7683 0.7286 0.7459 0.6426 0.6365 0.6324 0.6590 0.6371 0.6438 0.6414 0.6327 0.6466 0.6290 0.7124 0.6949 0.7250 0.7069 0.7140 0.7221 0.7135 0.7119 0.7736 0.7185 0.6994 0.7133 0.7137 0.7123 0.7329 0.7037 0.7184 0.7250 0.7226 0.6857 0.7882 0.7360 0.8993 0.9005 0.8404 0.7567 0.7611 0.8131 0.8206 0.9535 0.7078 0.9950 0.7756 0.7664 0.7745 0.7060 0.8195 0.8184 0.6983 0.6886 0.5639 0.7746 0.5108 0.5983 0.4957 0.6319 1.0650 0.5657 0.7222 0.7785 0.7643 0.7696 0.8097 0.7237 0.7390 0.7203 0.7096 0.8834 0.7176 0.7427 0.7943 0.7443 0.7933 0.7769 0.7179 0.7168 0.8596 0.7293 0.7434 0.7253 0.7299 0.9976 0.7267 0.7256 0.7777 0.8773 0.7338 0.7519 Pyrocatechol Pyrocatechol 0.7328 0.7344 0.7451 0.7407 0.7471 0.7475 0.7350 0.7490 0.7558 0.7306 0.7853 0.7426 0.7458 0.7428 0.7377 0.7316 0.7321 0.7481 0.7363 0.7279 1.1547 0.7428 0.7994 0.8511 0.7986 0.9100 0.7996 0.7925 0.6750 0.8937 0.7896 0.8913 0.7280 0.7349 0.7714 0.9836 0.7030 0.8980 0.8389 0.7396 0.6884 0.7277 0.7988 0.7996 0.8022 0.6774 0.8009 0.7942 0.6772 0.8051 0.8098 0.7974 0.8006 0.6818 0.7938 0.8016 0.7985 0.8064 0.7722 0.7972 0.7233 0.7161 0.7251 0.7273 0.7219 0.7207 0.7169 0.7190 0.7161 0.7149 0.7772 0.7562 0.7698 0.7732 0.7696 0.7771 0.7709 0.7767 0.6834 0.7725 0.7632 0.7582 0.7745 0.7656 0.7791 0.7565 0.7603 0.7832 0.7677 0.7605 0.7433 0.6882 0.8792 0.9209 0.8861 0.7946 0.7921 0.9259 0.9412 1.0236 0.7798 1.0393 0.8950 0.8694 0.7716 0.7894 0.8471 0.8758 0.7836 0.7863 0.5580 0.7430 0.5415 0.6447 0.4960 0.6741 0.9364 0.8031 0.8858 0.8842 0.8958 0.9009 0.7960 0.8017 0.7949 0.7985 0.9492 0.7908 0.7889 0.8507 0.8090 0.8998 0.8820 0.8147 0.7861 0.8270 0.7877 0.7801 0.7847 0.7842 1.0003 0.7886 0.7906 0.7791 0.9269 0.7861 0.8565 Pyroglutamate Pyroglutamic acid 0.7197 0.7140 0.6820 0.6907 0.7278 0.6993 0.7019 0.7327 0.7321 0.6837 0.7019 0.7297 0.7119 0.7226 0.7070 0.6807 0.7100 0.7725 0.7121 0.6651 0.7916 0.5438 0.7004 0.8358 0.7377 0.7303 0.6866 0.6510 0.9073 0.6248 0.5453 0.5179 0.5307 0.6759 0.6157 0.6134 0.5738 0.5332 0.7500 0.5363 0.7142 0.7142 0.7615 0.7053 0.7560 0.7150 0.7097 0.7461 0.7240 0.7014 0.7554 0.7516 0.7069 0.7502 0.7052 0.7357 0.6422 0.7437 0.6798 0.6808 0.6826 0.6856 0.6846 0.6763 0.6835 0.6794 0.6837 0.6843 0.7380 0.6904 0.7030 0.7322 0.7390 0.7348 0.6440 0.7357 0.5623 0.7226 0.8880 0.6463 0.7385 0.7562 0.7570 0.7369 0.9217 0.6522 0.7573 0.8757 0.6086 0.6660 0.6692 0.7491 0.8957 0.6617 0.6811 0.6838 0.7229 0.8801 0.7046 0.6391 0.7759 0.5533 0.5774 0.6337 0.6925 0.5714 0.5462 0.5543 0.5347 0.8372 0.5165 0.8116 0.5609 0.6286 0.8190 0.6067 0.6159 0.8295 0.7375 0.9279 0.7254 0.6892 0.6472 0.9287 0.8996 0.7655 0.6452 0.6854 0.6395 0.6405 0.7090 0.6334 0.7172 0.7065 0.7091 0.6896 0.7013 0.6406 0.6294 pyrophosphate Pyrophosphate 0.4882 0.7904 0.6079 0.6851 0.7668 0.7400 0.7820 0.6178 0.6441 0.6664 0.6019 0.6767 0.6481 0.7105 0.7349 0.6568 0.7930 0.7910 0.6079 0.7740 0.7462 0.8723 0.7333 0.7496 0.7581 0.4899 0.6484 0.7524 0.7643 0.7742 0.7922 0.7982 0.8062 0.8269 0.8316 0.8277 0.5601 0.6529 0.6682 0.6809 0.7030 0.6831 0.4413 0.5575 0.7704 0.7311 0.7463 0.7749 0.7902 0.7909 0.8051 0.8087 0.7805 0.6728 0.7903 0.7049 0.7383 0.7408 0.7515 0.7368 0.7537 0.7726 0.8826 0.7589 0.6948 0.5138 0.6299 0.7202 0.5409 0.6361 0.6871 0.6827 0.8368 0.8530 0.7601 0.7243 0.7510 0.7800 0.7671 0.7189 0.7127 0.7651 0.5166 0.6365 Pyrophosphoric_acid 0.9720 0.9662 0.9828 0.9711 0.9746 0.9521 0.9668 0.9783 0.9843 0.9604 0.9350 0.9779 0.9233 0.9766 0.9607 0.9637 0.9628 0.9273 0.9655 0.9475 0.8656 0.5794 0.6798 1.0008 0.9467 1.0783 0.9108 0.9335 0.9398 0.6591 0.8680 0.6253 0.5469 0.5597 0.6061 0.7287 0.6454 0.6538 0.6181 0.6003 1.0251 0.6248 0.9859 1.0233 1.0317 1.0161 1.0303 1.0193 1.0232 1.0365 1.0335 1.0145 1.0361 1.0293 1.0185 1.0344 1.0221 0.9579 1.0025 1.0314 0.9079 0.9210 0.9169 0.9216 0.9184 0.9117 0.9179 0.9118 0.9216 0.9216 0.9232 0.9478 0.9605 0.9336 0.9681 0.9439 0.9489 0.9737 0.9141 0.9561 0.9817 0.9694 0.9344 0.9356 0.9601 1.0112 0.9691 0.9234 0.9334 0.7970 0.6591 0.9681 0.6693 0.6539 1.0774 0.6679 0.6344 0.6682 0.6660 0.7483 0.9007 0.7962 0.6422 1.0160 0.6120 0.9372 0.6610 0.6625 0.7903 0.9393 0.8149 0.6194 0.8042 0.5020 0.8218 0.4948 0.7841 0.8264 0.8117 0.8942 0.6493 0.6359 1.0690 0.9440 0.9357 0.7769 0.9458 0.6947 0.8464 0.6701 0.8559 0.8988 0.6342 0.6367 0.9056 0.8836 0.9288 0.8962 0.7235 0.8433 0.6336 0.7533 0.8906 0.9056 0.8882 0.6770 0.9093 0.6178 pyrrole_2_carboxylic_acid Pyrrole-2-carboxylic acid 0.7531 0.5280 0.5257 0.5230 0.7378 0.7501 0.5317 0.7506 0.7387 0.5357 0.6508 0.7821 0.7780 0.5453 0.5386 0.5473 0.7353 0.6279 0.5292 0.5422 0.7762 0.7088 0.7087 0.7102 0.7096 0.7486 0.6447 0.6366 0.7537 0.6399 0.6616 0.5819 0.7100 0.6718 0.5517 0.6954 0.6165 0.7150 0.7085 0.5845 0.8801 0.5303 0.8153 0.8566 0.8601 0.5716 0.8493 0.5961 0.8344 0.8576 0.8354 0.8613 0.8549 0.8750 0.8489 0.8708 0.8555 0.8560 0.7151 0.8513 0.5254 0.6957 0.5435 0.5302 0.5541 0.5115 0.5251 0.5430 0.5437 0.5639 0.8761 0.8473 0.7646 0.8480 0.8387 0.5561 0.6808 0.8552 0.8031 0.8558 0.7091 0.6427 0.6593 0.6141 0.6371 0.7132 0.6619 0.7079 0.6793 0.6916 0.8720 0.6459 0.9086 0.7143 0.6980 0.7265 0.7249 0.7347 0.5418 0.6451 0.6615 0.5752 0.7062 0.5762 0.5322 0.5790 0.8313 0.5928 0.6595 0.7159 0.5849 0.5829 0.6402 0.6014 0.6370 0.6426 0.7985 0.6260 0.6567 0.8390 0.6375 0.6250 0.5914 0.6457 0.6414 0.5899 0.6553 0.7162 0.6205 0.7163 0.9196 0.7509 0.6705 0.6761 0.7834 0.7451 0.6153 Quinolinate Quinolinic acid 0.8609 0.8618 0.8501 0.7754 0.8617 0.8859 0.7103 0.8522 0.8434 0.6856 0.8777 0.8661 0.7949 0.5158 0.6139 0.6349 0.8038 0.6403 1.1243 0.7587 0.9574 1.0282 0.9440 1.1092 0.9762 0.9478 0.8312 0.9569 0.8960 0.7691 0.7470 0.8120 0.9272 0.9016 0.8574 0.8237 0.7547 0.9200 0.7498 0.6424 0.7709 0.7953 0.5248 0.7034 0.8978 0.9165 0.8440 0.9038 0.9100 0.8442 0.6854 0.6865 0.6586 0.6561 0.6881 0.8395 0.6944 0.6987 0.8360 0.9882 0.9064 0.9336 0.9743 0.9745 0.9789 0.9711 0.9687 0.8201 0.9543 0.9227 0.9091 0.9065 0.9810 0.9749 0.7027 0.9209 0.9884 0.9809 0.7764 0.8680 0.9545 0.8647 0.8298 1.0782 0.9279 0.9262 0.7393 0.9250 0.7965 0.9969 0.8826 0.7642 0.7629 0.8296 0.8769 0.9534 0.9394 0.9143 0.8351 0.9144 0.8766 1.2834 0.9234 0.9381 1.1048 0.9444 0.9681 0.9527 0.8950 0.9693 0.9541 1.0050 0.9579 0.8826 0.9095 0.8081 0.7360 0.8653 0.9993 0.9229 0.7671 0.7661 0.8701 0.7719 0.9095 rac_Glycerol_3_phosphoate 0.5466 0.6192 0.6165 0.4793 0.6279 0.5351 0.6225 0.6558 0.6565 0.6340 0.6550 0.6264 0.6017 0.6490 0.6332 0.6029 0.6496 0.3953 0.5668 0.6350 0.5798 0.5315 0.5378 0.4314 0.4024 0.4283 0.6373 0.4102 0.5330 0.7428 0.7357 0.7456 0.7413 0.7329 0.7662 0.7576 0.7737 0.7176 0.7493 0.7388 0.7315 0.7491 0.7571 0.7438 0.5353 0.7407 0.4730 0.5189 0.4896 0.4829 0.4861 0.5602 0.4317 0.5159 0.4658 0.4943 0.5533 0.5466 0.5354 0.5601 0.5410 0.5685 0.5645 0.5227 0.5739 0.5239 0.5477 0.6714 0.5389 0.5484 0.5274 0.4309 0.5587 0.6015 0.5387 0.5256 0.5901 0.5417 0.4227 0.4350 0.5127 0.5811 0.5519 0.5258 0.5390 0.5852 0.5474 0.4995 0.5496 0.5077 0.5180 0.5432 0.5690 0.5114 Raffinose Raffinose 0.6693 0.4440 0.6793 0.4957 0.6743 0.2676 0.6684 0.6702 0.6799 0.5129 0.6840 0.4586 0.6747 0.6634 0.5290 0.5080 0.7638 0.5752 0.6296 0.6033 0.6873 0.5941 0.5870 0.5924 0.6095 0.5717 0.6005 0.4235 0.6553 0.5966 0.4849 0.4405 0.4371 0.4669 0.4247 0.4300 0.4332 0.4220 0.4207 0.4249 0.4442 0.4887 0.4526 0.4318 0.4758 0.7133 0.5136 0.7216 0.7197 0.7070 0.7045 0.7065 0.5441 0.7024 0.7060 0.3992 0.4041 0.4109 0.4229 0.4080 0.5314 0.5847 0.5801 0.5955 0.4430 0.5445 0.4972 0.5466 0.5271 0.5566 0.6755 0.8553 0.6407 0.7354 0.6631 0.8934 0.6607 0.5950 0.6489 0.6343 0.6487 0.6788 0.5929 0.6060 0.5908 0.5873 0.6499 0.5543 0.5447 0.6002 0.5485 0.6044 0.5968 0.5013 0.5410 0.5481 0.5366 0.5366 0.5329 0.5881 0.5403 0.5360 0.5178 0.4821 0.4591 0.5567 resveratrol Resveratrol 0.4101 0.3464 0.3769 0.3393 0.3332 0.4107 0.4668 0.4996 0.4405 0.4793 0.4422 0.4298 0.4920 0.5575 0.5490 0.5168 0.6639 0.5472 0.6175 0.4329 0.4344 0.4186 0.6104 0.6030 0.5835 0.6021 0.6688 0.6000 0.6060 0.5678 0.5755 0.5513 0.4589 0.5861 0.5036 0.4563 0.5233 0.4390 0.4584 0.2840 0.4199 0.4977 0.4711 0.6025 0.4925 0.4823 0.4481 0.4636 0.4865 0.4929 0.4149 0.4572 0.5993 0.4462 0.5643 0.5287 0.5440 0.6477 0.5660 0.5637 0.5569 0.5968 0.5384 Rhamnose Rhamnose 0.7826 0.7958 0.8203 0.8571 0.8040 0.8347 0.8510 0.8567 0.8628 0.6259 0.7311 0.7877 0.7909 0.8165 0.7955 0.8493 0.7972 0.7874 0.7970 0.7837 0.7432 0.5708 0.8100 0.9017 0.7919 0.7901 0.8053 0.7636 0.7416 0.5871 0.5652 0.5195 0.7577 0.6301 0.7535 0.5568 0.8645 0.5345 0.8336 0.8668 0.8567 0.8432 0.8604 0.8589 0.8525 0.8657 0.8628 0.8604 0.8639 0.8632 0.8610 0.8627 0.8500 0.7878 0.8535 0.7022 0.6261 0.7049 0.7051 0.7043 0.6189 0.7037 0.6986 0.6368 0.7045 0.8074 0.7526 0.7404 0.7978 0.7804 0.7948 0.7886 0.7605 0.5588 0.7487 0.7286 0.5960 0.7992 0.7845 0.7736 0.6857 0.8061 0.7669 0.7252 0.6649 0.7811 0.7485 0.7546 0.7792 0.7520 0.7311 0.7138 0.7680 0.8248 0.5410 0.5553 0.7734 0.7485 0.7055 0.8398 0.7180 0.7682 0.7422 0.7772 0.8022 0.7262 0.8052 0.8867 0.7971 0.8899 0.7910 0.8098 0.7397 0.8472 0.8283 0.7508 0.7542 0.7525 0.7494 0.6709 Ribitol Ribitol 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 ribonic_acid Ribonic acid 0.9385 0.9432 0.9374 0.9317 0.9526 0.9525 0.9428 0.9572 0.9548 0.9283 0.9543 0.9375 0.9477 0.9480 0.9439 0.9218 0.9429 0.9734 0.9460 0.9402 0.8917 0.7156 0.8179 0.8776 0.7805 0.9050 0.7864 0.7776 0.7645 0.8322 0.7634 0.7176 0.6882 0.6989 0.7065 0.9346 1.0132 0.7698 0.6844 0.6901 0.8395 0.7050 0.9685 0.8937 0.8856 0.7543 0.8759 0.8918 0.7705 0.8602 0.9070 0.8443 0.8841 0.8584 0.8848 0.8745 0.8782 0.8684 0.8343 0.8770 0.9260 0.9283 0.9286 0.9303 0.9279 0.9325 0.9206 0.9236 0.9255 0.9245 0.8443 0.7897 0.7173 0.8174 0.8084 0.8534 0.7816 0.7987 0.7038 0.8033 0.8323 0.8323 0.8264 0.7436 0.8433 0.7582 0.8306 0.8413 0.7373 0.8028 0.9460 0.7947 0.9194 0.7095 0.8751 0.8225 0.7958 0.8091 0.8278 0.9664 0.7523 0.8483 0.8916 0.7085 0.7842 0.7128 0.8099 0.8403 0.7922 0.6214 0.7475 0.6481 0.6186 1.0359 0.6595 0.8399 0.8611 0.7888 0.7073 1.0004 0.8859 0.8296 0.8714 0.8904 0.8652 0.7934 0.7978 0.8184 0.7452 0.6572 0.7592 0.7890 0.8191 0.7923 0.7770 0.7848 0.7977 0.9644 0.7762 0.7843 0.7849 0.6028 0.7783 0.7533 ribose Ribose 0.8473 0.8607 0.8659 0.8331 0.8619 0.9836 0.8668 0.8802 0.8728 0.8544 0.9614 0.8604 0.7723 0.8551 0.8548 0.8547 0.8618 0.8672 0.8676 0.8559 1.0196 0.7733 0.7689 0.8208 0.8061 0.8848 0.7778 0.7747 0.8036 0.8284 0.7567 0.7464 0.7025 0.7015 0.7354 0.8196 0.7543 0.8236 0.7513 0.7122 0.7967 0.7004 0.8265 0.8130 0.8046 0.8019 0.8015 0.8199 0.8097 0.8028 0.8174 0.8115 0.7984 0.8011 0.8123 0.8087 0.8246 0.8048 0.8210 0.8006 1.0024 1.0122 0.8247 0.8163 0.9965 0.8860 0.8672 0.8725 0.8475 0.8029 0.7676 0.7586 0.7756 0.7598 0.7722 0.7781 0.7153 0.7406 0.7461 0.6279 0.7397 0.7924 0.5653 0.7049 0.7336 0.9252 0.7637 0.7532 0.7487 0.8118 0.7868 0.7318 0.8943 0.7770 0.7901 0.8356 0.8566 0.7230 0.7421 0.9028 0.7685 0.7822 0.7176 0.7873 0.7672 0.7852 0.7932 0.7627 0.6732 0.4736 0.6874 0.5198 0.6545 0.6772 1.0249 0.6861 0.7984 0.8949 0.7610 0.7401 0.8846 0.7438 0.7711 0.7950 0.8048 0.8854 0.7083 0.7589 0.8669 0.7632 0.8059 0.7410 0.7644 0.7757 0.7643 0.7815 0.7628 0.8077 0.7719 0.8983 0.7725 0.7636 0.7852 0.8994 0.7887 0.7132 ribose_5_phosphate Ribose 5-phosphate 0.5690 0.6069 0.6111 0.6213 0.6192 0.6125 0.6035 0.6178 0.6286 0.6192 0.6322 0.5910 0.6479 0.6020 0.6029 0.5938 0.6437 0.6244 0.6100 0.6003 0.6979 0.7424 0.7006 0.8066 0.6878 0.6939 0.7033 0.4903 0.6747 0.4617 0.5202 0.4497 0.6849 0.6236 0.6986 0.7019 0.6897 0.7049 0.6805 0.7082 0.7205 0.7071 0.6910 0.7013 0.6936 0.6858 0.6849 0.6930 0.7184 0.6614 0.6971 0.5947 0.6163 0.6060 0.6093 0.6120 0.6136 0.5975 0.6065 0.6195 0.6105 0.6544 0.6633 0.6763 0.6832 0.6707 0.6772 0.6793 0.6814 0.6777 0.6528 0.6494 0.6678 0.6662 0.6774 0.5997 0.6610 0.6867 0.6755 0.6445 0.6948 0.4687 0.4656 0.7692 0.6965 0.6755 0.4943 0.6800 0.7638 0.4866 0.5090 0.6889 0.6947 0.4072 0.4165 0.3359 0.4455 0.4023 0.7092 0.7807 0.4983 0.7930 0.7014 0.7205 0.7211 0.7122 0.6703 0.6790 0.7285 0.4485 0.4628 0.4656 0.4724 0.6865 0.4806 0.6835 0.6512 0.6810 0.5204 0.6820 0.7025 0.6750 0.6275 0.4688 ribulose_5_phosphate Ribulose 5-phosphate 0.7058 0.6747 0.6948 0.6766 0.6767 0.6738 0.6813 0.6885 0.6922 0.6636 0.7406 0.7069 0.7235 0.7149 0.6965 0.6841 0.6939 0.6870 0.6871 0.6697 1.1765 0.6546 0.7332 0.7778 0.7167 0.8114 0.7057 0.7111 0.7049 0.8067 0.7303 0.7756 0.6787 0.6433 0.6933 0.8937 0.7082 0.7879 0.7938 0.6774 0.7287 0.6051 0.6899 0.6954 0.6979 0.6774 0.6994 0.6735 0.6798 0.6949 0.6864 0.6981 0.7008 0.7135 0.6901 0.7120 0.6845 0.7043 0.7039 0.6937 0.6439 0.6680 0.6495 0.6291 0.6406 0.6454 0.6399 0.6170 0.6563 0.6386 0.6798 0.6468 0.6508 0.6604 0.6473 0.6636 0.6629 0.6736 0.6156 0.6673 0.6701 0.6683 0.6534 0.6821 0.6904 0.6805 0.6432 0.6785 0.6548 0.6814 0.7765 0.7587 0.7878 0.8170 0.8748 0.7378 0.7325 0.7813 0.8323 0.7333 0.7006 0.9336 0.7653 0.7801 0.7055 0.7091 0.7595 0.7911 0.6970 0.7080 0.5870 0.5172 0.4714 0.5236 0.4991 0.6302 0.5188 0.7430 0.7928 0.7822 0.7700 0.8290 0.7297 0.7195 0.7240 0.7131 0.8376 0.7213 0.7255 0.7663 0.7113 0.7510 0.7369 0.6902 0.6920 0.7714 0.7095 0.7202 0.7379 0.7189 0.9264 0.7216 0.7156 0.7035 0.8285 0.7171 0.7205 R_Neg_1_Amino_2_propanol Arginine 0.8715 0.8775 0.8811 0.8764 0.8392 0.9619 0.8709 0.8911 0.8956 0.8516 0.9078 0.8138 0.9677 0.8859 0.8749 0.8743 0.8771 0.9518 0.8759 0.8713 1.1412 0.7102 0.9360 1.0120 0.8949 1.0849 0.8489 0.8538 0.8715 0.8796 0.9414 0.8624 0.7259 0.9630 0.8279 0.8898 1.0807 0.8275 0.7528 0.9548 0.9360 0.9613 0.8036 0.9610 0.9311 0.8574 0.9272 0.8579 0.8537 0.9312 0.8654 0.9429 0.9286 0.9341 0.8558 0.9277 0.8617 0.9195 0.8397 0.9304 0.8330 0.8777 0.8685 0.8702 0.8419 0.8274 0.8603 0.8676 0.8643 0.8600 0.9005 0.9281 0.8047 0.8860 0.8808 0.8928 0.8777 0.8041 0.9325 0.8328 0.8288 0.8067 0.9004 0.8292 0.8193 0.9393 0.7751 0.8966 0.8092 0.7767 1.0374 0.8290 0.9572 0.8565 0.9543 0.8150 0.9443 0.7832 0.8418 0.8481 0.8247 1.0213 0.8137 1.0382 0.6707 0.9425 0.8947 0.8809 0.8371 0.9421 0.7503 0.7866 0.7547 0.6587 0.6329 0.6486 1.1072 0.7654 0.9432 0.9608 0.8519 0.7575 0.9747 0.8527 0.8360 0.8588 0.8709 0.9226 0.8261 0.9426 0.9524 0.9300 0.8046 0.8409 0.9403 0.8326 0.9170 0.8138 0.8342 0.9393 0.9433 0.9981 0.9445 0.9493 0.9446 0.8047 0.8185 0.7154 Saccharate Glucaric acid 0.6867 0.6903 0.6910 0.6854 0.7041 0.6888 0.6921 0.6997 0.5406 0.6798 0.6925 0.6825 0.6940 0.6876 0.6989 0.6738 0.6961 0.6999 0.6837 0.6811 0.4787 0.7826 0.8301 0.7772 0.8873 0.7776 0.7773 0.7743 0.6530 0.7638 0.6944 0.4804 0.5760 0.5913 0.5117 0.7908 0.4496 0.7866 0.7900 0.7895 0.7846 0.7857 0.7858 0.7883 0.7938 0.7971 0.7842 0.7889 0.7872 0.7856 0.7914 0.7890 0.7901 0.7675 0.7851 0.6580 0.6644 0.6601 0.6570 0.6592 0.6576 0.6594 0.6580 0.6632 0.6565 0.7396 0.7383 0.7460 0.7413 0.7455 0.7490 0.7505 0.7466 0.5873 0.7455 0.7419 0.7392 0.7474 0.7357 0.7496 0.6864 0.7412 0.7470 0.7276 0.7363 0.5105 0.7744 0.7318 0.6358 0.8706 0.7714 0.7707 0.4817 0.6552 0.7521 0.8372 0.5535 0.7502 0.5724 0.7589 0.7582 0.5478 0.5496 0.4794 0.5536 0.7765 0.8573 0.6290 0.7263 0.8769 0.7704 0.7747 0.7720 0.7708 0.7726 0.7633 0.8226 0.5898 0.5455 0.7054 0.7653 0.7247 0.7614 0.7522 0.7600 0.7418 0.6777 0.7527 0.7602 0.7564 0.7520 0.6703 Sakuranetin 0.3244 0.3263 0.3573 0.3630 0.3382 0.3623 0.3483 0.3596 0.4046 0.3580 0.3579 0.3370 0.3259 0.3410 0.3483 0.3398 0.3347 0.3634 0.3519 0.3682 0.6425 0.4479 0.4273 0.4646 0.4137 0.4748 0.4205 0.4011 0.4035 0.5090 0.4222 0.4693 0.4692 0.4416 0.5742 0.4927 0.5079 0.4627 0.4708 0.4334 0.4600 0.4564 0.4308 0.4153 0.4442 0.4421 0.4361 0.4336 0.4671 0.4708 0.4715 0.4303 0.4510 0.4384 0.4817 0.3226 0.3684 0.3337 0.3343 0.3469 0.3684 0.3325 0.3709 0.3286 0.3399 0.4289 0.4414 0.4155 0.4457 0.4518 0.4242 0.4377 0.4293 0.5383 0.4096 0.4124 0.4207 0.4119 0.4248 0.4332 0.4208 0.4388 0.4483 0.4137 0.4128 0.5200 0.4412 0.4660 0.4425 0.4578 0.4226 0.4075 0.4847 0.4915 0.5407 0.3907 0.5982 0.4567 0.4839 0.4834 0.4656 0.3868 0.4067 0.6227 0.3244 0.4609 0.4678 0.4040 0.4032 0.5143 0.4009 0.4243 0.4426 0.4369 0.4851 0.4859 0.4253 0.4294 0.3979 0.4294 0.4108 0.3944 0.3992 0.5468 0.3983 0.4066 0.4270 0.4365 Salicyl_alcohol_beta_glucoside 0.3485 0.5068 0.5186 0.5331 0.5239 0.5131 0.5089 0.5108 0.5168 0.5141 0.5046 0.5270 0.5147 0.4914 0.4968 0.5000 0.4987 0.4949 0.8873 0.5000 0.7145 0.7439 0.7058 0.7893 0.6947 0.6663 0.6908 0.7328 0.6933 0.7186 0.5427 0.7724 0.6938 0.6366 0.5729 0.6038 0.5881 0.5813 0.6087 0.5871 0.5721 0.5772 0.6048 0.5648 0.5798 0.5763 0.5772 0.5963 0.5748 0.5983 0.5879 0.5830 0.4910 0.5091 0.5022 0.5014 0.5039 0.4942 0.4867 0.4979 0.5125 0.4999 0.5661 0.5703 0.5724 0.5775 0.5829 0.5818 0.5687 0.5965 0.5649 0.5302 0.5598 0.5419 0.5448 0.5934 0.4797 0.5666 0.5874 0.5696 0.5368 0.6312 0.6665 0.6742 0.7098 0.6303 0.6306 0.6616 0.6885 0.7132 0.6608 0.7513 0.7053 0.7292 0.5323 0.6463 0.6137 0.6632 0.6516 0.6535 0.6738 0.7687 0.6920 0.6940 0.7917 0.7103 0.6940 0.6864 0.7066 0.7557 0.6675 0.6386 0.7167 0.6656 0.7015 0.6622 0.6585 0.6725 0.6262 0.6560 0.6303 0.6277 0.6386 0.7326 0.6587 0.6589 0.6385 0.6830 0.6255 0.6476 salicylaldehyde 2-Hydroxybenzaldehyde 0.6838 0.6892 0.7021 0.6890 0.6887 0.6345 0.6794 0.6970 0.7007 0.6796 0.6900 0.6992 0.6871 0.6899 0.6850 0.6695 0.6882 0.6660 0.6818 0.6812 1.1512 0.7804 0.7373 0.7815 0.7456 0.8039 0.7384 0.7375 0.7438 0.8372 0.6907 0.7892 0.7651 0.8017 0.8220 0.9192 0.9000 0.8085 0.8342 0.7764 0.7688 0.7859 0.7344 0.7533 0.7536 0.7437 0.7433 0.7608 0.6746 0.7700 0.7664 0.7718 0.7628 0.7633 0.7563 0.7573 0.6699 0.7677 0.7532 0.7564 0.6999 0.7041 0.7037 0.7031 0.6940 0.7059 0.7039 0.6928 0.7127 0.6889 0.7256 0.7107 0.7114 0.7325 0.7141 0.7245 0.7186 0.7148 0.8500 0.7196 0.7220 0.7168 0.7225 0.7230 0.7276 0.7419 0.7147 0.7235 0.7177 0.7282 0.8104 0.8565 0.8024 0.8095 0.7993 0.8016 0.7857 0.7564 0.7668 0.8488 0.7192 0.9952 0.7590 0.7785 0.7655 0.7400 0.8407 0.8175 0.7300 0.7262 0.5293 0.7671 0.5274 0.6369 0.5193 0.6360 0.9815 0.5461 0.7461 0.8172 0.7768 0.7719 0.8214 0.7431 0.7441 0.7262 0.7213 0.8504 0.7274 0.7328 0.7849 0.7523 0.7698 0.7667 0.7344 0.7110 0.7703 0.7258 0.7093 0.6931 0.7429 0.9572 0.7104 0.7410 0.7067 0.8414 0.7162 0.7464 salicylic_acid Salicylic acid 0.7066 0.7082 0.7140 0.5511 0.7134 0.7239 0.7091 0.7100 0.7128 0.7147 0.7397 0.7029 0.7171 0.7145 0.7101 0.7145 0.7040 0.7335 0.7045 0.7064 0.8008 0.8530 0.7903 0.9248 0.7993 0.8039 0.7948 0.7926 0.5436 0.4440 0.4114 0.4277 0.7454 0.4063 0.7689 0.7781 0.7532 0.7655 0.7541 0.7686 0.7604 0.7585 0.7743 0.7631 0.7566 0.7467 0.7771 0.7527 0.7670 0.7665 0.7958 0.7333 0.7385 0.7305 0.7398 0.7365 0.7334 0.7270 0.7360 0.7292 0.7336 0.7308 0.7406 0.7878 0.7881 0.7605 0.7731 0.7649 0.7722 0.7727 0.6591 0.7698 0.7855 0.7973 0.7588 0.7654 0.7704 0.7733 0.7879 0.7555 0.7596 0.7792 0.4643 0.7814 0.5695 0.8866 0.7885 0.7889 0.7900 0.5042 0.8701 0.7835 0.7970 0.7923 0.6691 0.6711 0.6581 0.5098 0.7923 0.8875 0.5458 0.9135 0.8056 0.8003 0.8064 0.7994 0.7872 0.7954 0.8456 0.5730 0.6142 0.7933 0.6581 0.7782 0.7848 0.8003 0.7882 0.7861 0.7972 0.7968 0.7778 Salsolinol Salsolinol 0.5380 0.5601 0.5669 0.5623 0.5618 0.5692 0.5581 0.5718 0.5786 0.5488 0.5604 0.5713 0.5970 0.5792 0.5638 0.5577 0.5604 0.5775 0.5920 0.5494 0.8315 0.5377 0.5282 0.5995 0.5363 0.5769 0.5296 0.5303 0.5020 0.6468 0.5225 0.5999 0.5110 0.5073 0.5375 0.7387 0.5716 0.5955 0.5570 0.5309 0.5326 0.4790 0.4671 0.5200 0.5214 0.5255 0.5148 0.5340 0.5274 0.5194 0.5395 0.5350 0.5323 0.5394 0.5247 0.5351 0.5243 0.5360 0.4850 0.5294 0.5482 0.5393 0.5462 0.5480 0.5391 0.5530 0.5248 0.5358 0.5439 0.5243 0.4986 0.4579 0.4912 0.4921 0.5010 0.4766 0.5000 0.4995 0.4875 0.4557 0.4770 0.4910 0.5257 0.4940 0.4784 0.4615 0.4820 0.4783 0.4766 0.5028 0.5638 0.5824 0.5976 0.6163 0.6300 0.5459 0.5936 0.6087 0.6211 0.6210 0.5963 0.7365 0.5922 0.5429 0.5159 0.5786 0.6095 0.4808 0.4860 0.4388 0.5609 0.4462 0.4719 0.4442 0.4777 0.7388 0.4815 0.5343 0.5566 0.5818 0.5827 0.5610 0.5052 0.5130 0.5248 0.5150 0.6748 0.4939 0.5532 0.5782 0.5522 0.6251 0.6106 0.5307 0.5242 0.5744 0.5107 0.5273 0.5455 0.5184 0.6975 0.5304 0.5029 0.4776 0.6406 0.5336 0.5597 Sarcosine Sarcosine 0.8256 0.5665 0.6089 0.5797 0.8384 0.6034 0.8379 0.8445 0.6210 0.5499 0.8031 0.8367 0.8282 0.5913 0.8267 0.5786 0.8311 0.6708 0.5874 0.5589 0.8702 0.5561 0.6785 0.7115 0.7804 0.7780 0.6859 0.6765 0.7735 0.7666 0.6750 0.6183 0.5902 0.5637 0.5678 0.7583 0.6767 0.6550 0.6063 0.5716 0.8122 0.5849 0.6793 0.8080 0.8073 0.6339 0.8041 0.7053 0.6340 0.8093 0.6287 0.6998 0.8048 0.6754 0.6727 0.8107 0.6958 0.8039 0.7281 0.7990 0.6843 0.7062 0.6963 0.6938 0.6916 0.7453 0.6632 0.6527 0.7038 0.6727 0.8015 0.6372 0.6510 0.7915 0.7831 0.7904 0.7873 0.6582 0.5878 0.6641 0.6992 0.7158 0.7983 0.6779 0.7942 0.6413 0.6742 0.7989 0.6975 0.6142 0.6442 0.6772 0.6600 0.7435 0.6678 0.6922 0.6689 0.6961 0.7067 0.7055 0.7989 0.6471 0.8136 0.5645 0.6792 0.6347 0.6384 0.6575 0.6864 0.6217 0.6390 0.6554 0.5617 0.6170 0.8565 0.7823 0.7833 0.7524 0.6416 0.6283 0.7667 0.6576 0.7323 0.6766 0.7724 0.7737 0.7380 0.6394 0.8373 0.6261 0.6353 0.6332 0.6241 0.6643 0.6482 0.7272 0.5542 0.6888 0.6708 0.7669 0.6593 0.6454 0.6178 0.6834 0.6857 0.6342 Sebacic_acid Sebacic acid 0.6551 0.6615 0.6744 0.6696 0.6730 0.6771 0.6561 0.6764 0.6830 0.6588 0.6636 0.6666 0.6693 0.6797 0.6602 0.6466 0.6592 0.6818 0.6539 0.6483 0.8687 0.5634 0.7330 0.7910 0.7514 0.8719 0.7249 0.7314 0.7114 0.6843 0.6962 0.6694 0.5511 0.5228 0.5619 0.7966 0.5894 0.6752 0.5910 0.5375 0.6014 0.5403 0.6620 0.6983 0.6705 0.6670 0.6689 0.6691 0.6520 0.6619 0.6723 0.5966 0.6718 0.6547 0.6505 0.6769 0.6130 0.6752 0.6381 0.6713 0.6365 0.6391 0.6403 0.6420 0.6267 0.6397 0.6375 0.6368 0.6410 0.6425 0.6456 0.6439 0.6531 0.6600 0.6631 0.6640 0.6659 0.6697 0.5604 0.6583 0.6393 0.6625 0.6555 0.6512 0.6044 0.5926 0.6583 0.6801 0.6530 0.6269 0.5825 0.6734 0.6622 0.6832 0.7696 0.6794 0.6524 0.6726 0.6777 0.7066 0.6690 0.8023 0.6667 0.7510 0.5543 0.6361 0.6315 0.6905 0.6881 0.6942 0.5033 0.5643 0.5478 0.4802 0.5648 0.4964 0.6557 0.5004 0.6903 0.7788 0.6769 0.6763 0.7950 0.7097 0.7060 0.6922 0.6944 0.7293 0.7170 0.7294 0.7770 0.6257 0.6680 0.6598 0.6299 0.6979 0.6336 0.7545 0.6190 0.6329 0.5556 0.7419 0.6231 0.6771 0.6638 0.7132 0.5802 0.6045 Selenocystamine Selenocystamine 0.6556 0.6584 0.6715 0.6704 0.6691 0.6696 0.6606 0.6724 0.6802 0.6560 0.5280 0.6656 0.5281 0.6686 0.6613 0.6533 0.6551 0.6720 0.6612 0.6508 0.9509 0.5809 0.7348 0.7827 0.7296 0.8395 0.7382 0.7322 0.7367 0.7831 0.7261 0.6989 0.5442 0.4671 0.6262 0.8368 0.4610 0.7264 0.7059 0.5382 0.7340 0.4683 0.7278 0.7260 0.7258 0.7183 0.7290 0.7139 0.7223 0.7360 0.7398 0.7182 0.7280 0.7169 0.7175 0.7282 0.7207 0.7343 0.7018 0.7272 0.6414 0.6373 0.6420 0.6430 0.6286 0.6371 0.6362 0.6350 0.6365 0.6344 0.6640 0.6482 0.6608 0.6613 0.6639 0.6652 0.6630 0.6733 0.4688 0.6595 0.6435 0.6523 0.6608 0.6583 0.6791 0.6174 0.6464 0.6757 0.6599 0.6423 0.5305 0.6975 0.6544 0.6644 0.7680 0.6919 0.6877 0.6552 0.6607 0.6593 0.6808 0.8384 0.6629 0.7613 0.6101 0.6528 0.6839 0.7019 0.6879 0.6910 0.4674 0.5489 0.4609 0.4980 0.4766 0.5079 0.4775 0.7317 0.8146 0.7165 0.6833 0.8297 0.7397 0.7410 0.7328 0.7331 0.8065 0.7006 0.6885 0.7511 0.6452 0.6477 0.6592 0.6292 0.6898 0.6131 0.6958 0.6917 0.6901 0.6736 0.8068 0.6970 0.6889 0.6885 0.7577 0.6917 0.6461 Selenomethionine Selenomethionine 0.7128 0.7293 0.7350 0.7373 0.7232 0.7017 0.7252 0.7245 0.7272 0.7352 0.7322 0.7159 0.7279 0.7304 0.7312 0.7263 0.7264 0.7492 0.7237 0.7258 0.7253 0.4088 0.7227 0.7695 0.7366 0.8207 0.7266 0.7895 0.7377 0.4750 0.6943 0.4423 0.6086 0.4274 0.4442 0.4901 0.6700 0.5803 0.6969 0.6884 0.6861 0.6833 0.6960 0.6984 0.7148 0.7022 0.6874 0.6756 0.6894 0.6932 0.6912 0.6845 0.6968 0.7135 0.6734 0.7427 0.7299 0.7492 0.7465 0.7442 0.7374 0.7559 0.7474 0.7011 0.7478 0.7444 0.7658 0.7353 0.7306 0.7672 0.7576 0.7522 0.7585 0.4690 0.7563 0.7750 0.7322 0.7576 0.7484 0.7517 0.6819 0.7726 0.7353 0.7187 0.7500 0.4539 0.7521 0.6071 0.6594 0.8169 0.7385 0.7184 0.6453 0.6500 0.6670 0.7149 0.6297 0.5941 0.7899 0.4397 0.6973 0.4759 0.4976 0.7318 0.7179 0.6135 0.6177 0.4341 0.5989 0.3909 0.4006 0.7257 0.8044 0.4893 0.5561 0.8324 0.7188 0.7207 0.7260 0.7366 0.5414 0.7458 0.7157 0.7844 0.6160 0.5798 0.4941 0.5835 0.7142 0.5997 0.7572 0.7021 0.7384 0.6895 0.5253 0.7038 0.7207 0.6927 0.4905 0.6944 0.4770 serine Serine 0.7107 0.7247 0.7384 0.7304 0.7364 0.6347 0.7299 0.7272 0.7155 0.7074 0.6842 0.6719 0.6572 0.7241 0.7238 0.7343 0.7354 0.6686 0.7358 0.7252 0.8229 0.5682 0.8043 0.8272 0.7420 0.8677 0.7519 0.8045 0.7630 0.6455 0.7802 0.6604 0.6117 0.5964 0.5858 0.7566 0.6377 0.6814 0.6030 0.5854 0.7646 0.6302 0.7185 0.7640 0.7107 0.7437 0.7551 0.7488 0.7480 0.7148 0.7552 0.7525 0.7045 0.7588 0.7438 0.7637 0.7526 0.6610 0.7193 0.7575 0.7490 0.7318 0.7550 0.7621 0.7690 0.7396 0.6855 0.6911 0.7456 0.7394 0.6719 0.7548 0.7666 0.6903 0.6778 0.6843 0.6875 0.7142 0.6135 0.7743 0.7251 0.7712 0.6856 0.7209 0.7349 0.7058 0.7780 0.6947 0.7205 0.7433 0.6658 0.7543 0.6697 0.6654 0.8668 0.7629 0.7410 0.6897 0.6833 0.7312 0.7776 0.7935 0.6575 0.9082 0.5970 0.7632 0.6468 0.6951 0.7898 0.8278 0.7654 0.6805 0.5490 0.5753 0.6462 0.7052 0.8157 0.6423 0.7404 0.8380 0.6562 0.6754 0.8831 0.7955 0.7779 0.7617 0.7466 0.6992 0.7733 0.7922 0.7248 0.6360 0.6090 0.6659 0.7592 0.6647 0.7723 0.7335 0.7671 0.7468 0.7289 0.7708 0.7838 0.7150 0.7195 0.7417 0.6029 Serotonin Serotonin 0.5383 0.5307 0.5011 0.6012 0.6102 0.5360 0.5891 0.6084 0.5582 0.5202 0.5448 0.5553 0.5339 0.5353 0.5299 0.4557 0.5428 0.6042 0.4953 0.5358 0.8495 0.5833 0.5750 0.6744 0.6041 0.6242 0.7181 0.6593 0.6322 0.6840 0.6074 0.5895 0.5713 0.5541 0.5547 0.6700 0.6412 0.5960 0.6096 0.5680 0.5626 0.5618 0.5724 0.5637 0.5646 0.5570 0.5576 0.5198 0.5075 0.5782 0.5833 0.5493 0.5311 0.5482 0.5407 0.5396 0.5387 0.5530 0.5336 0.5267 0.4887 0.4953 0.4970 0.4859 0.4906 0.5638 0.4995 0.5102 0.5116 0.5283 0.5439 0.5937 0.5402 0.5734 0.6620 0.5740 0.5907 0.5516 0.5715 0.5700 0.5430 0.5590 0.5582 0.5685 0.5516 0.5518 0.6392 0.5639 0.6928 0.5921 0.6680 0.6581 0.6122 0.6091 0.7344 0.6420 0.5872 0.6180 0.6385 0.6898 0.6259 0.8011 0.6799 0.7067 0.6165 0.5110 0.6469 0.6460 0.6046 0.6173 0.4429 0.5697 0.4500 0.6065 0.4871 0.6101 0.8684 0.4425 0.6094 0.7295 0.6273 0.6124 0.6938 0.6422 0.6584 0.6283 0.6028 0.6851 0.6039 0.6488 0.6012 0.5912 0.5536 0.6028 0.5345 0.6214 0.6039 0.6128 0.5917 0.7033 0.6263 0.7059 0.6079 0.6716 0.5472 0.5817 shikimic_acid Shikimic acid 0.7901 0.7996 0.8836 0.7434 0.8185 0.8812 0.8037 0.8087 0.8875 0.8731 0.6660 0.8771 0.7155 0.8334 0.8819 0.8063 0.7895 0.7994 0.8724 0.8687 0.9997 0.8615 0.8536 0.9175 0.8594 0.8084 0.8582 0.8587 0.8570 0.7930 0.8586 0.8967 0.9459 0.8682 0.8971 0.7297 0.8456 0.8318 0.9628 0.8575 0.7660 0.8657 0.8712 0.8646 0.8659 0.7346 0.8603 0.6422 0.7561 0.7545 0.8714 0.8580 0.8645 0.8660 0.8646 0.8636 0.7400 0.7703 0.8537 0.7051 0.8242 0.8647 0.8653 0.8620 0.8656 0.8658 0.8644 0.8658 0.8686 0.8548 0.7093 0.8369 0.8412 0.6812 0.8483 0.7193 0.7020 0.6865 0.8282 0.8426 0.8488 0.8462 0.6544 0.8508 0.6612 0.8492 0.8474 0.6510 0.8394 0.8491 0.8573 0.6924 0.9020 0.8023 0.9629 0.8587 0.6762 0.8146 0.8797 0.7492 0.8527 0.9949 0.8222 0.9440 0.9743 0.8590 0.9624 0.8103 0.8510 0.8532 0.6655 0.5989 0.6744 0.7013 0.5503 0.6615 0.6758 0.6284 0.8717 0.9529 0.7644 0.9118 0.9783 0.8599 0.8672 0.8544 0.8583 0.8543 0.8589 0.7798 0.7044 0.6979 0.8193 0.8834 0.8529 0.7059 0.8603 0.7682 0.8513 0.8554 0.7576 0.8753 0.8560 0.8626 0.8503 0.8391 0.8540 0.8769 Sinapic_acid Sinapic acid 0.4323 0.7691 0.4471 0.4006 0.5008 0.4048 0.4709 0.4866 0.4030 0.4612 0.4524 0.5040 0.4262 0.4116 0.7638 0.4913 0.4663 0.4730 0.4597 0.4186 0.4685 0.5436 Sinigrin Sinigrin 0.5763 0.5963 0.6096 0.6047 0.5950 0.6038 0.5961 0.5943 0.6084 0.5944 0.5883 0.5795 0.6066 0.6086 0.5893 0.5724 0.5918 0.6146 0.5933 0.5830 0.9599 0.6152 0.7189 0.7603 0.7147 0.8161 0.7124 0.7013 0.7112 0.7591 0.6918 0.7302 0.5799 0.5212 0.5917 0.7971 0.6418 0.7311 0.6753 0.5756 0.6258 0.5633 0.6473 0.6296 0.6347 0.6256 0.6206 0.6213 0.6251 0.6392 0.6381 0.6194 0.6256 0.6278 0.6304 0.6367 0.6347 0.6390 0.6123 0.6348 0.5666 0.5710 0.4757 0.5725 0.5730 0.5725 0.5627 0.5627 0.5779 0.5678 0.6297 0.6212 0.6350 0.6324 0.6591 0.6383 0.6416 0.6407 0.5270 0.6357 0.6137 0.6232 0.6277 0.6325 0.6452 0.5960 0.6294 0.6493 0.6369 0.6069 0.6421 0.7080 0.7053 0.7334 0.7488 0.6856 0.6856 0.7288 0.7428 0.7765 0.6957 0.8689 0.7353 0.7752 0.6458 0.7024 0.7051 0.7559 0.7020 0.7048 0.5242 0.5444 0.5222 0.4828 0.5558 0.7855 0.5491 0.6298 0.7950 0.7442 0.7448 0.8056 0.7127 0.7157 0.7104 0.7115 0.8083 0.6851 0.7059 0.7261 0.6846 0.7224 0.7100 0.6655 0.6736 0.6771 0.6744 0.6766 0.6642 0.6764 0.8214 0.6856 0.6808 0.6833 0.7596 0.6801 0.6924 Sorbate Sorbic acid 0.8898 0.8902 0.9019 0.8896 0.8997 0.9004 0.8950 0.9091 0.9139 0.8802 0.8871 0.8974 0.8987 0.8998 0.8902 0.8898 0.8900 0.8975 0.8921 0.8835 0.6813 0.5022 0.6567 0.7331 0.8293 0.7262 0.6277 0.6487 0.6087 0.5500 0.6749 0.5066 0.5078 0.4936 0.5102 0.5935 0.5639 0.5368 0.4932 0.4986 0.8659 0.5672 0.6773 0.8651 0.8615 0.8515 0.8600 0.8539 0.8547 0.8675 0.8652 0.8593 0.8635 0.8627 0.8542 0.8647 0.8578 0.8614 0.6168 0.8586 0.6600 0.6415 0.6498 0.6532 0.6494 0.6030 0.5978 0.5235 0.6490 0.6042 0.8589 0.8331 0.8365 0.8544 0.8479 0.8523 0.8486 0.8454 0.4959 0.8423 0.6464 0.8417 0.8546 0.8498 0.8520 0.5872 0.8446 0.8610 0.8570 0.6463 0.5991 0.6397 0.5691 0.5818 0.7343 0.6420 0.6674 0.5540 0.5823 0.6323 0.6353 0.6460 0.5121 0.7071 0.5082 0.6619 0.5533 0.5429 0.6193 0.6506 0.6024 0.5148 0.6006 0.5419 0.5055 0.6335 0.6186 0.6854 0.5587 0.5441 0.7271 0.6295 0.6672 0.6167 0.6275 0.5910 0.6610 0.6517 0.6610 0.6259 0.5431 0.5361 0.6841 0.6123 0.5438 0.6540 0.6390 0.6262 0.6738 0.5975 0.6817 0.6475 0.6441 0.5490 0.6497 0.5643 Sorbitol Sorbitol 0.9457 1.1000 1.0203 1.0134 1.0064 0.9814 1.1085 1.0164 1.1224 0.9994 0.8662 0.9681 0.9939 1.1030 1.0969 0.9490 1.0995 1.1011 1.0971 0.9425 1.3561 0.9652 1.0005 1.0701 0.9931 1.1158 0.9904 0.9760 1.0454 0.9872 0.9767 1.0674 1.0928 1.0912 0.9912 0.9859 1.1052 1.0631 1.0648 1.0890 1.0360 0.8752 1.0274 1.0636 1.0302 1.0162 1.0253 1.0191 1.0218 1.0382 1.0318 1.0251 1.0312 1.0328 1.0179 1.0364 1.0258 1.0324 1.0410 1.0235 0.8786 0.8888 0.8857 0.8862 0.8814 0.8878 0.8707 0.8721 0.8964 0.8847 1.0145 0.9493 0.9527 1.0014 0.9926 1.0477 0.9965 0.9853 0.8335 0.9708 0.9480 0.9487 1.0143 1.0002 1.0477 0.9395 0.9601 1.0167 0.9998 0.9656 1.0078 0.9967 1.0514 1.0842 1.0886 0.9852 1.0444 1.0650 1.1050 1.0663 0.9563 1.1561 1.0613 1.0779 0.9949 0.9892 1.0847 1.0538 0.9518 0.9828 0.9911 1.1384 1.0439 1.1083 1.0658 1.1074 1.7547 1.0529 0.9965 1.0913 1.0761 1.0673 1.1013 0.9870 1.0553 0.9640 0.9865 1.0447 0.9925 0.9807 1.0556 1.0070 1.0627 1.0583 0.9937 0.9610 1.0479 0.9675 0.9839 0.9586 0.9930 1.1947 0.9980 0.9738 0.9506 1.0884 0.9947 1.0753 Sorbose Sorbose 0.8709 0.8790 0.8845 0.8777 0.8919 0.8803 0.8807 0.8940 0.8915 0.8733 0.8831 0.8714 0.8989 0.8681 0.8783 0.8615 0.8877 0.8823 0.8683 0.8655 0.9815 0.5205 0.8216 0.8893 0.8724 0.9855 0.8719 0.8704 0.8877 0.7641 0.8278 0.7305 0.6311 0.6217 0.5252 0.6528 0.6240 0.7401 0.6190 0.6309 0.9056 0.5602 0.8151 0.9134 0.9079 0.9063 0.9080 0.9047 0.9220 0.9437 0.9213 0.9052 0.9191 0.8985 0.8944 0.8960 0.9031 0.9212 0.8657 0.9153 0.8058 0.8220 0.8079 0.8088 0.8154 0.8142 0.8114 0.8255 0.8224 0.8130 0.9016 0.8841 0.8937 0.9059 0.9065 0.9110 0.9098 0.9073 0.7077 0.8977 0.8923 0.8793 0.9143 0.8974 0.9043 0.7592 0.8859 0.9184 0.8957 0.8737 0.6061 0.8663 0.7287 0.6306 0.9881 0.8561 0.8005 0.5988 0.7563 0.6901 0.8578 0.9001 0.7327 0.9703 0.6701 0.7867 0.6219 0.7615 0.8781 0.8640 0.7602 0.5505 0.7706 0.6191 0.7276 0.5968 0.9086 0.7944 0.8875 0.9836 0.7367 0.6410 0.9806 0.8613 0.8616 0.8853 0.8868 0.8072 0.8447 0.8507 0.9529 0.6899 0.7226 0.7221 0.6858 0.8724 0.5647 0.8588 0.8086 0.8695 0.7521 0.8498 0.8060 0.8482 0.8234 0.6473 0.8473 0.7028 Spermidine Spermidine 0.6239 0.6293 0.6406 0.6386 0.6341 0.6434 0.5971 0.6371 0.6495 0.6296 0.7448 0.6335 0.7382 0.6426 0.6301 0.6196 0.6258 0.6548 0.6332 0.6187 0.4726 0.6012 0.6666 0.6425 0.7300 0.6267 0.6230 0.6976 0.5254 0.6001 0.5667 0.4660 0.4320 0.4512 0.3095 0.4691 0.4166 0.6317 0.6232 0.6997 0.6174 0.6904 0.6949 0.6168 0.6930 0.7056 0.7057 0.6189 0.6197 0.6045 0.6189 0.6936 0.6927 0.7015 0.6607 0.6984 0.5837 0.5455 0.5893 0.5900 0.5869 0.5902 0.5589 0.5861 0.5612 0.5673 0.6878 0.6741 0.6851 0.6948 0.6917 0.6879 0.6246 0.6985 0.4836 0.6165 0.5919 0.6714 0.6853 0.6124 0.6261 0.3652 0.6135 0.6356 0.6903 0.6437 0.5554 0.6150 0.5704 0.5896 0.6800 0.6025 0.5793 0.5867 0.5909 0.5636 0.6554 0.5353 0.5792 0.6731 0.4956 0.4795 0.5761 0.6083 0.5975 0.5435 0.5558 0.5315 0.5581 0.6461 0.7075 0.5093 0.6500 0.7088 0.6235 0.6173 0.6453 0.6409 0.6693 0.5944 0.6616 0.6651 0.4159 0.5016 0.6315 0.5388 0.5896 0.5465 0.6044 0.5524 0.6316 0.5313 0.5805 0.5732 0.5723 0.3875 0.5846 0.3478 Spermine Spermine 0.6971 0.6830 0.6828 0.6762 0.6874 0.7095 0.6813 0.6933 0.6970 0.6741 0.7038 0.6943 0.7010 0.6948 0.6874 0.6769 0.6868 0.7437 0.6865 0.6778 0.7420 0.4775 0.6905 0.7426 0.7104 0.8545 0.7600 0.7517 0.7267 0.6002 0.7001 0.5928 0.4837 0.4678 0.5170 0.6679 0.5283 0.5854 0.5564 0.4895 0.6867 0.7115 0.7120 0.6877 0.6761 0.6926 0.6727 0.6762 0.7242 0.6881 0.6774 0.7023 0.6794 0.6882 0.6906 0.6637 0.7114 0.6639 0.6970 0.6779 0.6745 0.6760 0.6805 0.6839 0.6778 0.6703 0.6610 0.6780 0.6669 0.7135 0.7388 0.7663 0.7368 0.7451 0.7302 0.7481 0.7537 0.4955 0.7410 0.7203 0.7402 0.7235 0.7309 0.7367 0.6004 0.7363 0.7280 0.7400 0.7061 0.5718 0.6579 0.6032 0.6078 0.7337 0.6680 0.5871 0.5897 0.6162 0.6525 0.7048 0.5422 0.8224 0.5398 0.5371 0.7402 0.7080 0.5737 0.5960 0.6193 0.5077 0.5724 0.5130 0.6228 0.7343 0.8255 0.5915 0.5755 0.8304 0.7333 0.7376 0.7439 0.7168 0.5795 0.6825 0.7095 0.7937 0.5427 0.5524 0.5675 0.5672 0.6486 0.5736 0.7061 0.5764 0.5825 0.5760 0.6407 0.6041 0.6313 0.5909 0.5833 0.6146 0.5700 stearic_acid Stearic acid 0.8046 0.8114 0.8259 0.8274 0.8241 0.8251 0.8120 0.8241 0.8369 0.8182 0.7627 0.8152 0.7737 0.8253 0.8133 0.7995 0.8095 0.8305 0.8131 0.8026 1.0032 0.6356 0.8737 0.9331 0.8714 0.9986 0.8749 0.8728 0.8725 0.7957 0.8606 0.7659 0.6250 0.5827 0.6691 0.8606 0.6466 0.7495 0.7807 0.6158 0.8537 0.6269 0.8635 0.8511 0.8513 0.8417 0.8547 0.8403 0.8443 0.8643 0.8608 0.8426 0.8494 0.8509 0.8421 0.8564 0.8408 0.8641 0.8177 0.8534 0.7963 0.7935 0.8008 0.7987 0.7927 0.7953 0.7935 0.7941 0.7970 0.7911 0.8319 0.8006 0.8167 0.8197 0.8220 0.8235 0.8217 0.8271 0.6051 0.8187 0.7991 0.8180 0.8209 0.8154 0.8387 0.7563 0.8134 0.8339 0.8208 0.7862 0.7461 0.8744 0.7449 0.7466 0.9655 0.8682 0.8660 0.7599 0.7803 0.8485 0.8567 0.8896 0.7773 0.9494 0.7279 0.8307 0.8004 0.7680 0.8612 0.8656 0.7488 0.6737 0.7458 0.6105 0.7660 0.6744 0.9094 0.7497 0.8763 0.9718 0.7991 0.7939 0.9868 0.8738 0.8786 0.8694 0.8751 0.8190 0.8707 0.8672 0.9334 0.8093 0.7700 0.7980 0.8087 0.8568 0.7558 0.8685 0.8599 0.8603 0.8371 0.8819 0.8692 0.8660 0.8581 0.7966 0.8618 0.7798 stigmasterol Stigmasterol 0.5239 0.5345 0.5452 0.5583 0.5508 0.5387 0.5508 0.5392 0.5561 0.5487 0.5222 0.5258 0.5314 0.5254 0.5235 0.5335 0.5392 0.5317 0.5541 0.5337 0.8706 0.6435 0.6511 0.6825 0.6476 0.7376 0.6679 0.6684 0.6410 0.7226 0.6892 0.7205 0.6341 0.6099 0.6070 0.7909 0.7442 0.7298 0.6679 0.5969 0.5972 0.6773 0.6121 0.6043 0.5852 0.5866 0.5839 0.5854 0.5823 0.5908 0.5802 0.6048 0.5740 0.6050 0.5934 0.6023 0.5944 0.5944 0.5839 0.6147 0.5145 0.5249 0.5480 0.5157 0.5288 0.5321 0.5370 0.5163 0.5338 0.5263 0.5967 0.5498 0.5669 0.5784 0.5676 0.5698 0.5519 0.5581 0.6900 0.5773 0.5715 0.5693 0.5736 0.5854 0.5779 0.5633 0.5745 0.5815 0.5759 0.5687 0.7100 0.5926 0.6014 0.6377 0.6403 0.5818 0.5763 0.6326 0.6315 0.6659 0.6110 0.7825 0.6257 0.6864 0.6283 0.6291 0.6492 0.6410 0.6206 0.6186 0.4715 0.6603 0.4795 0.5225 0.4864 0.5587 0.9709 0.4888 0.6353 0.7127 0.6257 0.7236 0.6542 0.6399 0.6346 0.6447 0.7118 0.5724 0.6333 0.6242 0.5867 0.5442 0.6146 0.6175 0.5520 0.6167 0.5997 0.6071 0.6243 0.7711 0.6000 0.6190 0.6030 0.6741 0.5651 0.5596 Succinic_acid Succinic acid 1.0063 1.0051 1.0026 1.0038 1.0051 0.8900 1.0039 1.0042 1.0033 1.0061 0.8691 1.0036 0.9042 1.0020 1.0051 1.0056 1.0059 1.0077 1.0051 1.0059 1.0109 0.8045 1.0113 0.8900 0.8822 0.9134 0.9804 0.8160 0.8169 0.8272 0.8894 0.7781 0.9162 0.8530 0.8052 0.9827 0.6429 0.9844 0.9833 0.9693 0.9719 0.9713 0.9745 0.9738 0.9682 0.9828 0.9726 0.9596 0.8674 0.9824 0.7999 0.7123 0.7991 0.8005 0.7089 0.7178 0.7880 0.7890 0.7165 0.9927 0.9493 0.8592 0.8758 0.9407 0.9183 0.9391 0.9243 0.9122 0.7227 0.8912 0.8911 0.8605 0.9488 0.9299 0.9202 0.8827 0.9486 0.9208 0.9153 0.7777 0.9707 0.9741 0.9136 0.9347 0.8814 0.9542 0.9140 0.9818 0.7479 0.8037 0.9223 0.8674 0.9893 0.9438 0.8651 0.9760 0.9871 0.9764 1.2275 0.8639 0.9001 0.9849 0.9744 0.9743 0.9912 0.8764 0.8912 0.8731 0.9232 0.8997 0.9802 0.9790 0.8832 0.8077 0.8883 0.8665 0.9365 0.9452 Tagatose D-Tagatose 0.8418 0.9724 0.9151 0.9096 0.9829 0.9659 0.9695 0.9796 0.9228 0.8984 0.8247 0.8629 0.8951 0.9660 0.9718 0.8424 0.9735 0.8483 0.8426 0.8374 1.1275 0.8760 0.9354 1.0041 0.9362 1.0448 0.9301 0.9173 0.9329 0.9308 0.9186 1.0090 0.8741 0.8865 0.9040 0.7808 0.8303 1.0100 0.9728 0.8842 0.9616 0.8171 0.9525 0.9570 0.9588 0.9419 0.9540 0.9445 0.9470 0.9613 0.9566 0.9498 0.9596 0.9594 0.9445 0.9599 0.9499 0.9578 0.8865 0.9506 0.7984 0.8035 0.8082 0.8082 0.8003 0.8064 0.7905 0.7873 0.8164 0.7989 0.9482 0.8681 0.9120 0.9339 0.9171 0.9358 0.9274 0.9076 0.7760 0.9267 0.8673 0.8028 0.9433 0.9250 0.9201 0.8927 0.9203 0.9569 0.9358 0.9043 0.8952 0.9465 0.9957 1.0209 1.0238 0.9279 0.9417 1.0143 1.0477 1.0148 0.8932 0.9136 1.0065 1.0113 0.9044 0.9344 0.9849 1.0009 0.8975 0.9189 0.9270 1.0160 0.9229 1.0139 0.9443 1.0018 1.5642 0.9298 0.9409 1.0307 1.0017 0.9999 1.0442 0.9278 0.9344 0.9165 0.9326 0.9838 0.9292 0.9172 1.0009 0.9479 1.0056 0.9924 0.9354 0.8990 0.9451 0.8983 0.9320 0.8974 0.9427 0.9959 0.9426 0.9263 0.9057 0.9646 0.9416 0.9667 Tartarate Tartaric acid 0.6949 0.6894 0.6957 0.7095 0.6947 0.7230 0.6761 0.6996 0.7102 0.6963 0.7257 0.7085 0.7247 0.6949 0.6894 0.6906 0.6955 0.7305 0.6731 0.6869 1.1779 0.8287 0.7458 0.7961 0.7574 0.8355 0.7520 0.7562 0.7568 0.8489 0.7164 0.7981 0.7978 0.8516 0.8540 0.9375 0.9043 0.8224 0.8600 0.8181 0.7217 0.7774 0.7400 0.7602 0.7529 0.7424 0.7488 0.7496 0.7599 0.7643 0.7689 0.7579 0.7576 0.7616 0.7507 0.7569 0.7493 0.7719 0.7639 0.7572 0.7249 0.7183 0.7289 0.7269 0.7192 0.7270 0.7233 0.7128 0.7281 0.7172 0.7408 0.7296 0.7277 0.7308 0.7342 0.7370 0.7249 0.7210 0.8733 0.7290 0.7387 0.7344 0.7313 0.7275 0.7371 0.7435 0.7491 0.7307 0.7204 0.7356 0.8371 0.8285 0.8249 0.8358 0.8221 0.7883 0.7703 0.7864 0.7913 0.8837 0.7346 1.0240 0.7684 0.8016 0.8029 0.7430 0.8688 0.8277 0.7501 0.7406 0.5718 0.7672 0.5609 0.6324 0.5563 0.6510 1.0440 0.5641 0.7546 0.8326 0.7781 0.7759 0.8428 0.7585 0.7562 0.7413 0.7350 0.8743 0.7362 0.7406 0.7946 0.7494 0.7796 0.7718 0.7364 0.7314 0.7914 0.7352 0.7221 0.7204 0.7422 1.0408 0.7117 0.7542 0.7246 0.8568 0.7266 0.7487 tetracosane Lignocerane 0.6147 0.6229 0.6388 0.6141 0.6323 0.6345 0.6217 0.6332 0.6442 0.6320 0.6595 0.6234 0.6669 0.6309 0.6197 0.6042 0.6108 0.6175 0.6210 0.6112 1.0182 0.6320 0.7383 0.7909 0.7405 0.8470 0.7430 0.7351 0.7361 0.8170 0.7291 0.7753 0.6290 0.5836 0.6481 0.8601 0.7184 0.7753 0.7316 0.6417 0.6825 0.6109 0.7058 0.6861 0.6821 0.6727 0.6927 0.6773 0.6723 0.6980 0.6936 0.6728 0.6799 0.6772 0.6751 0.6871 0.6736 0.6993 0.6600 0.6891 0.6142 0.6147 0.6185 0.6203 0.6147 0.6081 0.6122 0.6155 0.6078 0.6121 0.6781 0.6679 0.6864 0.6760 0.6825 0.6791 0.6776 0.6923 0.6186 0.6845 0.6480 0.6710 0.6661 0.6696 0.6921 0.6373 0.6751 0.6925 0.6782 0.6408 0.6716 0.7208 0.7589 0.7841 0.7921 0.7112 0.7143 0.7845 0.8002 0.8773 0.7230 0.9232 0.7767 0.8063 0.6673 0.7305 0.7550 0.7862 0.7257 0.7316 0.5587 0.6911 0.5439 0.6037 0.5653 0.6276 0.8660 0.5509 0.7390 0.8195 0.7804 0.7835 0.8345 0.7359 0.7451 0.7368 0.7420 0.8515 0.7320 0.7300 0.7832 0.7369 0.7811 0.7720 0.7298 0.7291 0.7258 0.7310 0.7184 0.7178 0.7215 0.8768 0.7281 0.7258 0.7196 0.8247 0.7248 0.7496 Theophylline Theophylline 0.5997 0.6433 0.6316 0.6073 0.6411 0.5960 0.6294 0.6356 0.6319 0.5941 0.6014 0.6466 0.6239 0.6491 0.6462 0.6385 0.6572 0.6052 0.6516 0.6434 0.6107 0.4327 0.6709 0.7219 0.7808 0.8717 0.6723 0.7257 0.7378 0.5249 0.6696 0.5787 0.4027 0.4136 0.5555 0.5710 0.4610 0.8256 0.7349 0.7781 0.7693 0.7728 0.7677 0.7813 0.7370 0.7296 0.7766 0.7895 0.7408 0.7961 0.8096 0.8020 0.7963 0.7506 0.6918 0.7386 0.3910 0.5659 0.4557 0.4723 0.4914 0.5058 0.5265 0.5238 0.5785 0.5582 0.6778 0.6111 0.6004 0.6238 0.6153 0.6442 0.6083 0.6179 0.6127 0.6106 0.6168 0.5619 0.6576 0.6727 0.5159 0.6203 0.6554 0.5943 0.6415 0.4858 0.5915 0.5215 0.6612 0.5754 0.5859 0.4909 0.5353 0.6038 0.5784 0.6910 0.5812 0.5850 0.5626 0.5780 0.6099 0.4250 0.5730 0.4614 0.4324 0.5482 0.6281 0.4220 0.6655 0.8062 0.8113 0.7808 0.6311 0.7166 0.7672 0.5690 0.5997 0.6252 0.6367 0.4687 0.5417 0.6024 0.4790 0.5464 0.4616 0.6393 0.4601 0.5464 0.5731 0.6256 0.4886 0.5687 0.5231 0.5940 0.5891 0.5596 threonine Threonine 0.8380 0.7073 0.7120 0.8508 0.8511 0.8072 0.8507 0.7857 0.7887 0.8385 0.8097 0.7104 0.8039 0.8500 0.6940 0.7111 0.7063 0.8105 0.7088 0.6772 0.8012 0.5470 0.8077 0.8451 0.7531 0.9368 0.8214 0.8451 0.7724 0.7152 0.7791 0.6022 0.5808 0.5491 0.5577 0.6729 0.7082 0.5841 0.6619 0.5553 0.7656 0.5971 0.7011 0.8251 0.7774 0.8167 0.7848 0.8155 0.8195 0.7966 0.8279 0.8201 0.7887 0.7857 0.8141 0.7890 0.8212 0.8006 0.7320 0.8195 0.7665 0.7442 0.7593 0.7695 0.7652 0.7455 0.6654 0.6913 0.7587 0.7430 0.7596 0.8160 0.8273 0.7952 0.7994 0.7995 0.7984 0.8414 0.7592 0.7862 0.7203 0.7929 0.7567 0.8583 0.7648 0.7114 0.7968 0.7991 0.8543 0.7374 0.7234 0.7386 0.6813 0.6485 0.8389 0.7539 0.7631 0.6198 0.7364 0.6978 0.7805 0.7416 0.5859 0.8928 0.5642 0.7779 0.6139 0.6082 0.7777 0.8154 0.8055 0.6337 0.8004 0.6128 0.7911 0.5596 0.9952 0.8076 0.8335 0.9013 0.6360 0.6126 0.9375 0.8189 0.7893 0.7780 0.7498 0.6275 0.7416 0.7878 0.7986 0.6779 0.6172 0.5845 0.6968 0.8067 0.7731 0.7168 0.7761 0.7973 0.7722 0.7294 0.7851 0.7942 0.7513 0.6568 0.7607 0.6354 threose Threose 0.7065 0.8001 0.8025 0.8021 0.7773 0.8361 0.8045 0.7485 0.7703 0.7860 0.7011 0.8621 0.8197 0.7720 0.7981 0.7957 0.8646 0.8018 0.7944 0.9123 0.6743 0.7380 0.7961 0.7506 0.9626 0.8491 0.8475 0.7889 0.6967 0.7367 0.6298 0.6592 0.6557 0.6320 0.7610 0.7437 0.7022 0.6818 0.6503 0.7963 0.7012 0.7138 0.7901 0.7955 0.7913 0.7869 0.7988 0.7828 0.7796 0.7951 0.7917 0.7864 0.7906 0.7951 0.7908 0.7919 0.7641 0.7281 0.7897 0.7321 0.7243 0.7321 0.7347 0.7282 0.7306 0.7245 0.7342 0.7180 0.7257 0.7314 0.8346 0.7588 0.7098 0.6138 0.7322 0.7392 0.8655 0.6779 0.8629 0.7103 0.7468 0.6579 0.7123 0.7096 0.7091 0.7577 0.7408 0.8940 0.7264 0.6829 0.7465 0.9100 0.9163 0.7534 0.7629 0.6752 0.7514 0.7302 0.8158 0.6891 0.8210 0.6561 0.7284 0.6748 0.6723 0.8079 0.7361 0.7614 0.7363 0.7511 0.6107 0.6946 0.6274 0.9516 0.7389 0.8144 0.8348 0.6892 0.6722 0.9426 0.8364 0.7351 0.7501 0.8040 0.7356 0.7577 0.7465 0.8000 0.7206 0.6892 0.6158 0.7226 0.8232 0.8384 0.7275 0.8200 0.7810 0.7841 0.7269 0.7451 0.7361 0.7535 0.7345 0.6883 Thymidine Thymidine 0.5415 0.5620 0.5740 0.5853 0.5721 0.5202 0.5746 0.5493 0.5318 0.5758 0.5522 0.5561 0.6054 0.5548 0.5492 0.5614 0.5484 0.5482 0.5638 0.5610 0.9873 0.5987 0.6256 0.6814 0.6362 0.7269 0.6067 0.6471 0.6350 0.7532 0.6112 0.6746 0.5854 0.5342 0.6234 0.7743 0.6396 0.6733 0.6858 0.5424 0.6332 0.5534 0.6121 0.6078 0.5995 0.6121 0.6011 0.6018 0.5965 0.6355 0.6008 0.6075 0.5984 0.5988 0.5791 0.5764 0.5985 0.6028 0.5864 0.5881 0.5637 0.5619 0.5604 0.5592 0.5566 0.5530 0.5589 0.5612 0.5667 0.5540 0.5837 0.5890 0.5703 0.5826 0.6025 0.5817 0.5404 0.5710 0.6048 0.5724 0.5552 0.5500 0.5753 0.6014 0.5934 0.5784 0.5870 0.5980 0.6044 0.5758 0.6819 0.6657 0.7188 0.7431 0.7474 0.6688 0.6524 0.6154 0.7526 0.7451 0.6434 0.8809 0.7027 0.6630 0.6610 0.6354 0.7307 0.6065 0.6483 0.6556 0.4851 0.5992 0.4838 0.5588 0.4919 0.5786 0.7559 0.4902 0.6360 0.7406 0.6893 0.7125 0.7483 0.6449 0.6589 0.6607 0.6610 0.7885 0.6227 0.6486 0.6814 0.6265 0.7102 0.6988 0.6323 0.6383 0.6330 0.6149 0.6256 0.6044 0.6147 0.8148 0.6201 0.6439 0.6453 0.7381 0.6383 0.6589 Thymidine_monophosphate dTMP 0.6270 0.6699 0.6527 0.6539 0.6780 0.6439 0.6426 0.6283 0.6242 0.6386 0.6337 0.6514 0.6491 0.6507 0.6455 0.6512 0.6448 0.6396 0.6468 0.6567 1.1407 0.6802 0.7225 0.8057 0.6798 0.8264 0.7123 0.7085 0.6744 0.8376 0.7465 0.7532 0.7659 0.6312 0.6991 0.9470 0.6027 0.7609 0.7467 0.6334 0.7519 0.5338 0.7547 0.7366 0.7297 0.7236 0.7135 0.7463 0.7172 0.6670 0.7243 0.7456 0.7218 0.7455 0.7364 0.7409 0.7438 0.7156 0.7505 0.7232 0.6252 0.6239 0.6339 0.6292 0.6312 0.6303 0.6531 0.6408 0.6169 0.6329 0.6990 0.7844 0.7671 0.6932 0.6954 0.7001 0.6926 0.5391 0.7768 0.7373 0.7871 0.6651 0.7078 0.6955 0.8410 0.7715 0.6788 0.8130 0.7473 0.6062 0.7047 0.7812 0.8550 0.8057 0.7074 0.7279 0.8988 0.9366 1.0420 0.7220 1.0360 0.8613 0.8037 0.6998 0.7696 0.8211 0.8659 0.7212 0.7234 0.6316 0.6161 0.6046 0.5228 0.6264 0.5498 0.8607 0.6231 0.7038 0.7861 0.7772 0.7608 0.8185 0.7251 0.7269 0.7008 0.6912 0.9432 0.7200 0.7176 0.7463 0.6271 0.8152 0.7605 0.7465 0.7087 0.6641 0.7225 0.7411 0.7178 0.7536 0.9483 0.7649 0.7417 0.7443 0.8923 0.7748 0.7005 tocopherol_acetate Tocopherol acetate 0.3192 0.3236 0.3064 0.8760 0.6016 0.6392 0.6798 0.7643 0.6667 0.6187 0.6784 0.7256 0.5927 0.6962 0.5727 0.4891 0.7485 0.7119 0.5796 0.4627 0.5289 0.5035 0.5378 0.5086 0.5193 0.5414 0.5221 0.5195 0.5403 0.4115 0.5454 0.5037 0.5267 0.5627 0.5514 0.5516 0.5738 0.4743 0.5715 0.4266 0.4794 0.4864 0.4443 0.4662 0.4483 0.4808 0.4820 0.4349 0.4790 0.4465 0.5105 0.4968 0.5097 0.4882 0.4982 0.5893 0.6004 0.5791 0.4977 0.5320 0.5825 0.5711 0.5796 0.8050 0.6730 0.6968 0.6507 0.6516 0.6753 0.6583 0.6107 0.5693 0.6216 0.7568 0.6940 0.6825 0.7374 0.6767 0.6186 0.6750 0.6862 0.7663 0.5655 0.5793 0.6985 0.6473 0.6462 0.6074 0.6477 0.6223 0.5678 0.6162 0.5724 0.6013 0.6483 0.7402 0.5844 0.5798 0.5604 0.7316 0.6465 0.6573 trans_4_hydroxyproline trans-4-Hydroxyproline 0.7939 0.7947 0.6524 0.8190 0.8284 0.6962 0.8229 0.6975 0.8479 0.8071 0.6777 0.8097 0.7072 0.8199 0.8035 0.7990 0.8210 0.7360 0.8089 0.7760 1.0862 0.6912 0.7397 0.8016 0.7342 0.8490 0.7406 0.7396 0.7342 0.8260 0.7396 0.7842 0.6891 0.6985 0.7359 0.9130 0.6795 0.7948 0.7961 0.6993 0.7082 0.6624 0.7397 0.7238 0.7132 0.7188 0.7112 0.7164 0.7145 0.7181 0.7290 0.7144 0.7171 0.7131 0.7239 0.7206 0.7159 0.7225 0.7281 0.7171 0.6569 0.6481 0.6662 0.6664 0.6486 0.6589 0.6529 0.6944 0.6370 0.6579 0.7178 0.7326 0.7816 0.7271 0.7396 0.7280 0.7337 0.7381 0.5584 0.7710 0.7289 0.7655 0.7114 0.7129 0.7345 0.7204 0.7756 0.7235 0.7011 0.7300 0.7114 0.7506 0.7943 0.8225 0.8450 0.7459 0.7536 0.8228 0.8360 0.9033 0.7408 0.9798 0.6642 0.8189 0.7357 0.7418 0.8039 0.8191 0.7445 0.7430 0.6138 0.7829 0.6321 0.6594 0.6275 0.6790 0.9458 0.5315 0.7346 0.8237 0.7796 0.7933 0.8417 0.7409 0.7468 0.7432 0.7406 0.8840 0.7400 0.7454 0.7955 0.7553 0.7903 0.7750 0.7471 0.7386 0.7571 0.7387 0.7396 0.7428 0.7376 0.9415 0.7431 0.7433 0.7419 0.8617 0.7330 0.7631 Trans_Aconitate trans-Aconitic acid 0.4856 0.4859 0.4915 0.5003 0.4892 0.4776 0.4769 0.4919 0.5024 0.4785 0.4642 0.4944 0.5042 0.4804 0.4833 0.4678 0.4827 0.4869 0.4710 0.4709 0.8761 0.5754 0.6457 0.7031 0.6599 0.7650 0.6776 0.6644 0.6592 0.7153 0.6412 0.6804 0.5743 0.5481 0.5674 0.7474 0.6319 0.6804 0.6317 0.5587 0.5456 0.5636 0.5626 0.5456 0.5474 0.5422 0.5492 0.5457 0.5446 0.5594 0.5530 0.5362 0.5418 0.5394 0.5326 0.5510 0.5415 0.5749 0.5304 0.5725 0.4730 0.4908 0.4423 0.4718 0.4490 0.4771 0.4643 0.4779 0.4915 0.4809 0.5267 0.5015 0.5134 0.5170 0.5137 0.5253 0.5342 0.5250 0.5070 0.5241 0.5026 0.5199 0.5149 0.5073 0.5236 0.5078 0.5120 0.5274 0.5016 0.5076 0.6701 0.6253 0.6469 0.6719 0.6672 0.5923 0.6072 0.6669 0.6855 0.7632 0.6060 0.7817 0.6636 0.6849 0.5833 0.6215 0.6159 0.6745 0.6154 0.6268 0.4908 0.5915 0.5321 0.4901 0.4517 0.5320 0.8664 0.4161 0.6508 0.7345 0.6877 0.6873 0.7503 0.6607 0.6616 0.6558 0.6515 0.7393 0.6203 0.6394 0.6560 0.6251 0.6638 0.6601 0.6182 0.6232 0.6304 0.6245 0.5889 0.5960 0.5908 0.7275 0.6003 0.5985 0.5960 0.6801 0.5974 0.6208 Trehalose Trehalose 0.4048 0.4337 0.4323 0.4377 0.4397 0.4345 0.4407 0.4372 0.4458 0.4398 0.4328 0.4094 0.4356 0.4506 0.4025 0.4044 0.4283 0.4333 0.4285 0.4235 0.8568 0.5483 0.6319 0.6723 0.6269 0.7169 0.6295 0.6245 0.6249 0.6794 0.6206 0.6542 0.5367 0.5213 0.5552 0.7338 0.6316 0.6600 0.6307 0.5513 0.4364 0.5082 0.4393 0.4257 0.4357 0.4304 0.4201 0.4422 0.4475 0.4313 0.4306 0.4271 0.4283 0.4428 0.4351 0.4434 0.5099 0.5651 0.5148 0.5436 0.5416 0.5457 0.5524 0.5276 0.5612 0.5340 0.5643 0.5415 0.5655 0.5685 0.5579 0.5601 0.5596 0.5684 0.5107 0.5676 0.5269 0.5512 0.5447 0.5538 0.5709 0.4989 0.5441 0.5746 0.5604 0.5148 0.6516 0.6151 0.6471 0.6771 0.6829 0.6092 0.6132 0.6792 0.6934 0.7471 0.6171 0.7800 0.6651 0.6889 0.5618 0.6261 0.6317 0.6714 0.6213 0.6224 0.4679 0.5517 0.4647 0.5284 0.4926 0.5479 0.6367 0.4789 0.6205 0.6951 0.6656 0.6686 0.7088 0.6285 0.6311 0.6254 0.6272 0.7167 0.6218 0.6256 0.6694 0.6328 0.6707 0.6627 0.6225 0.6187 0.6231 0.6244 0.6197 0.6124 0.6187 0.7416 0.6255 0.6224 0.6177 0.7120 0.6234 0.6481 Tryptamine Tryptamine 0.6569 0.5722 0.6448 0.5814 0.6399 0.6757 0.6317 0.6294 0.6662 0.6815 0.6037 0.6718 0.5092 0.6804 0.6299 0.6325 0.6213 0.6727 0.6490 0.6519 1.0096 0.6742 0.7409 0.7536 0.7552 0.8193 0.6688 0.7367 0.6455 0.8466 0.6603 0.7816 0.6590 0.6306 0.6080 0.8727 0.6580 0.7119 0.6568 0.6279 0.6576 0.6379 0.6724 0.7531 0.7237 0.7253 0.6961 0.7061 0.6897 0.7013 0.6614 0.7083 0.7039 0.6950 0.6571 0.6974 0.7140 0.7348 0.6321 0.6463 0.6270 0.5348 0.5797 0.5834 0.6729 0.6108 0.5984 0.5881 0.6319 0.5388 0.6253 0.6316 0.6602 0.6584 0.6193 0.7010 0.6365 0.6901 0.5836 0.6728 0.6346 0.5833 0.6673 0.6259 0.6616 0.6210 0.6815 0.6763 0.6241 0.6418 0.6603 0.6555 0.8007 0.7328 0.8202 0.7177 0.6935 0.7649 0.8061 0.8184 0.6495 0.9081 0.6872 0.7282 0.6171 0.6480 0.6937 0.6939 0.6382 0.6415 0.5964 0.7788 0.7814 0.6934 0.6937 0.5764 0.9111 0.6092 0.7732 0.7421 0.7696 0.7596 0.8554 0.6556 0.6596 0.6525 0.6919 0.8220 0.6449 0.7552 0.6941 0.7649 0.7806 0.7046 0.6746 0.6377 0.7119 0.6525 0.6845 0.6982 0.6414 0.8058 0.6393 0.7318 0.6391 0.8574 0.6515 0.7692 Tryptophan Tryptophan 0.8633 0.8916 0.9036 0.8981 0.9031 0.8824 0.8908 0.9010 0.9062 0.8862 0.8595 0.8811 0.8822 0.9008 0.8921 0.8773 0.8839 0.8631 0.8868 0.8766 0.6262 0.4212 0.9018 0.9584 0.9376 1.0647 0.9245 0.9219 0.9329 0.5549 0.9077 0.5037 0.5150 0.3990 0.4531 0.4449 0.5323 0.9132 0.4434 0.8408 0.9394 0.9332 0.9242 0.9349 0.9293 0.9296 0.9359 0.9452 0.9174 0.9365 0.9217 0.9279 0.9313 0.9292 0.9347 0.8859 0.9287 0.8222 0.8639 0.8479 0.8477 0.8507 0.8610 0.8599 0.8602 0.8619 0.8618 0.9087 0.8847 0.8906 0.9083 0.9076 0.9193 0.9123 0.9114 0.4568 0.9058 0.8921 0.8786 0.9152 0.9086 0.9222 0.4712 0.8894 0.9307 0.9037 0.8836 0.4666 0.8743 0.9943 0.8833 0.7686 0.8917 0.6362 0.5146 0.9724 0.4528 0.6451 0.5078 0.9010 0.8725 0.6599 0.6798 0.3939 0.6725 0.6636 0.9301 1.0359 0.5314 0.5521 1.0531 0.9325 0.9195 0.9313 0.9361 0.5448 0.9082 0.8873 0.9833 0.5887 0.4995 0.5634 0.5961 0.8692 0.4694 0.9169 0.7553 0.8563 0.6294 0.6618 0.8039 0.8505 0.8198 0.5667 0.7452 0.5103 Tyramine Tyramine 0.8885 0.8932 0.8983 0.8915 0.9016 0.8912 0.8955 0.9060 0.9077 0.8870 0.8722 0.8952 0.8905 0.9047 0.8942 0.8905 0.8925 0.8765 0.8972 0.8835 0.6925 0.4481 0.7437 0.8064 0.8401 0.9375 0.8191 0.8176 0.8358 0.4836 0.7732 0.4905 0.4447 0.4411 0.4624 0.6201 0.4350 0.5331 0.4918 0.4385 0.8517 0.4700 0.7582 0.8550 0.8510 0.8495 0.8452 0.8502 0.8499 0.8503 0.8593 0.8493 0.8474 0.8483 0.8499 0.8461 0.8512 0.8485 0.8145 0.8487 0.8679 0.8586 0.8717 0.8712 0.8659 0.8721 0.8555 0.8631 0.8556 0.8571 0.8201 0.7956 0.7951 0.8204 0.8156 0.8222 0.8184 0.8168 0.5984 0.8053 0.7925 0.7882 0.8259 0.8059 0.8203 0.6596 0.7948 0.8274 0.8004 0.7778 0.5491 0.7714 0.5269 0.4963 0.9056 0.7784 0.6300 0.5418 0.4910 0.5820 0.7869 0.6092 0.5130 0.8918 0.4482 0.5315 0.4990 0.5040 0.8099 0.7741 0.6766 0.7086 0.3814 0.6316 0.7152 0.8358 0.9212 0.5384 0.9253 0.8165 0.7943 0.8265 0.8350 0.7856 0.7656 0.9019 0.4759 0.5004 0.4927 0.4546 0.8014 0.5251 0.7988 0.6328 0.7815 0.5030 0.5521 0.6611 0.7335 0.7020 0.5794 0.7026 0.4633 Tyrosine Tyrosine 0.8770 0.8903 0.8973 0.8854 0.9027 0.8823 0.8887 0.8997 0.9010 0.8778 0.8675 0.8837 0.8885 0.8999 0.8906 0.8787 0.8864 0.8582 0.8894 0.8791 0.7494 0.6089 0.9019 0.9481 0.9252 1.0478 0.9162 0.9167 0.9228 0.6471 0.9007 0.6751 0.5231 0.6408 0.6137 0.5933 0.6106 0.6004 0.6011 0.9316 0.6187 0.9043 0.9417 0.9387 0.9304 0.9322 0.9317 0.9342 0.9371 0.9461 0.9278 0.9339 0.9287 0.9308 0.9334 0.9331 0.9374 0.8997 0.9309 0.8464 0.8601 0.8591 0.8583 0.8577 0.8640 0.8585 0.8581 0.8516 0.8565 0.8989 0.8847 0.8878 0.8999 0.9010 0.9118 0.9051 0.9053 0.5601 0.9013 0.8986 0.8764 0.9088 0.8981 0.9105 0.7094 0.8876 0.9136 0.8760 0.8957 0.6259 0.8965 0.7096 0.6661 1.0137 0.8973 0.7737 0.6395 0.6855 0.6317 0.8973 0.7084 0.6379 0.9856 0.6596 0.6350 0.7242 0.6071 0.9011 0.8807 0.7599 0.5122 0.7928 0.5291 0.7668 0.5115 0.7343 0.8102 0.9227 1.0225 0.7336 0.6956 1.0427 0.9222 0.9127 0.9231 0.9250 0.6084 0.9035 0.8875 0.9750 0.4989 0.6454 0.6513 0.5880 0.8819 0.6797 0.9059 0.7272 0.8758 0.6648 0.6806 0.7906 0.8545 0.8423 0.6151 0.7875 0.6498 UDP_GlcNAc UDP-N-acetylglucosamine 0.7937 0.8121 0.8102 0.8090 0.8208 0.8260 0.8126 0.8187 0.8126 0.8063 0.8050 0.7988 0.8260 0.8111 0.7973 0.7958 0.7963 0.8134 0.8009 0.7894 1.0036 0.7436 0.7224 0.7691 0.7287 0.8512 0.7587 0.7310 0.7299 0.7725 0.7101 0.7533 0.6658 0.6338 0.6566 0.8207 0.8848 0.7327 0.7342 0.6664 0.7575 0.5979 0.7685 0.7457 0.7436 0.7226 0.7396 0.6800 0.7329 0.7998 0.7423 0.7297 0.7249 0.7361 0.7197 0.7381 0.7152 0.7034 0.7157 0.7497 0.7668 0.7762 0.7798 0.7836 0.7697 0.7860 0.7731 0.7765 0.7722 0.7798 0.8222 0.7723 0.7569 0.8000 0.8038 0.8017 0.8003 0.7986 0.6346 0.7457 0.7563 0.7535 0.8236 0.8211 0.8007 0.6771 0.7571 0.8413 0.7951 0.7186 0.8416 0.7244 0.7428 0.7811 0.8159 0.7363 0.7283 0.8395 0.7947 0.7762 0.7166 0.8999 0.7239 0.8092 0.6599 0.7294 0.7385 0.7676 0.7407 0.7159 0.7039 0.6987 0.5180 0.6042 0.6249 0.6128 0.9608 0.6251 0.6925 0.8384 0.7244 0.7645 0.8581 0.7476 0.7279 0.7644 0.7213 0.8055 0.7164 0.7088 0.7472 0.7149 0.7452 0.7444 0.7011 0.7392 0.7204 0.7350 0.7087 0.7368 0.7111 0.8865 0.7121 0.7123 0.7150 0.7784 0.7139 0.7254 UDP_glucuronic_acid UDP-glucuronic acid 0.8467 0.8468 0.8791 0.8119 0.8603 0.8613 0.8451 0.8743 0.8939 0.9230 0.8349 0.8575 0.9056 0.8468 0.8476 0.8382 0.8502 0.8570 0.8357 0.8360 0.9836 0.8607 0.9327 0.9918 0.9472 1.0808 0.9301 0.9216 0.9339 0.9219 0.9095 0.8100 0.8459 0.8278 0.8824 0.7993 0.8053 0.9320 0.8376 0.9616 0.8636 0.9486 0.9550 0.9579 0.9369 0.9542 0.9394 0.9457 0.9572 0.9572 0.9478 0.9584 0.9522 0.9395 0.9599 0.9420 0.9561 0.9109 0.9520 0.8089 0.8089 0.8033 0.8029 0.8053 0.8060 0.8073 0.8069 0.8085 0.8125 0.9388 0.8466 0.8601 0.9215 0.9075 0.9299 0.9238 0.9141 0.7834 0.8948 0.8692 0.8535 0.9349 0.9093 0.9242 0.8655 0.8819 0.9266 0.9211 0.8651 0.8317 0.9067 0.9388 0.9233 1.0132 0.9100 0.9064 0.9439 0.9191 0.8896 0.8227 0.8937 0.9870 0.8744 0.9205 0.9407 0.8978 0.8945 0.9167 1.0400 0.9288 1.0373 0.9659 1.0354 1.2539 0.9350 0.9357 1.0262 0.9295 1.0415 0.9176 0.9092 0.9132 0.9218 0.9826 0.9144 0.9007 0.9958 0.9248 0.9943 0.9352 0.9261 0.9178 0.9060 0.9186 0.9129 0.8950 0.9110 0.8346 0.9106 0.9159 0.9095 0.9685 0.9192 0.9202 UDP_N_acetylglucosamine UDP-N-acetylglucosamine 0.8663 0.8801 0.9042 0.8804 0.8862 0.9018 0.8720 0.9002 0.9257 0.8291 0.8977 0.8995 0.8827 0.8625 0.8794 0.8685 0.8806 0.8779 0.8717 0.9132 0.8631 0.9408 1.0471 0.9785 1.1010 0.9647 0.9502 0.9477 0.9770 0.9564 0.8559 0.8526 0.8988 0.8256 0.8230 1.0512 0.9651 0.8523 1.0060 0.8044 0.9981 0.9166 1.0015 0.9062 1.0015 0.9073 0.9097 1.0066 0.9961 0.9083 1.0024 0.9100 0.9991 0.8972 0.8251 0.8103 0.8390 0.8385 0.8204 0.8314 0.8123 0.8063 0.8211 0.8129 0.9889 0.9074 0.9304 0.9680 0.9600 0.9799 0.9653 0.9639 0.7178 0.9487 0.9088 0.9339 0.9862 0.9777 0.9595 0.9224 0.9413 0.9898 0.9784 0.9267 0.8689 0.9372 1.0420 1.0679 1.0489 0.9675 0.9301 1.0619 1.0691 0.9385 0.7871 1.0447 0.8898 0.9331 0.9490 0.9435 0.9381 0.9720 1.1049 0.9747 1.1138 1.0177 1.0926 1.7074 0.9845 0.9719 1.0714 1.0775 0.9519 0.9687 0.9437 0.9546 1.0386 0.9482 0.9577 1.0376 0.9866 1.0483 1.0399 0.9723 0.9262 0.9279 0.9554 0.9717 0.9254 0.9803 0.9138 0.9838 0.9642 0.9400 1.0168 0.9088 Undecylic_acid Undecylic acid 0.7053 0.6803 0.6831 0.6667 0.6846 0.7118 0.6877 0.7102 0.7055 0.6916 0.6799 0.7086 0.6542 0.7267 0.6856 0.7390 0.7330 0.7137 0.7150 0.6954 1.1752 0.7593 0.7451 0.8301 0.7862 0.8921 0.7818 0.8065 0.7360 0.8870 0.6678 0.8338 0.7925 0.7484 0.7486 0.9679 0.6926 0.8553 0.8141 0.7542 0.7770 0.7538 0.7694 0.8043 0.7911 0.8162 0.7922 0.8004 0.7855 0.7841 0.7829 0.7919 0.7746 0.7763 0.7788 0.7319 0.8044 0.7830 0.7626 0.7486 0.7221 0.6318 0.6690 0.6665 0.6562 0.7226 0.6394 0.6423 0.6491 0.6286 0.7297 0.7530 0.7388 0.7360 0.7336 0.7654 0.7361 0.7452 0.6679 0.7376 0.7329 0.7318 0.7234 0.7068 0.7720 0.7463 0.7357 0.7212 0.7106 0.7842 0.7699 0.7589 0.8538 0.8441 0.8833 0.7874 0.7930 0.8603 0.8868 0.9476 0.7215 1.0522 0.7734 0.8603 0.7075 0.7169 0.7911 0.8068 0.7371 0.7511 0.4978 0.8745 0.5096 0.5010 0.4987 0.4506 1.0458 0.5167 0.8130 0.8625 0.8321 0.8163 0.8893 0.7437 0.7581 0.7472 0.7619 0.9354 0.7369 0.7839 0.8040 0.7944 0.8455 0.8032 0.7616 0.7378 0.7869 0.7222 0.7451 0.7725 0.7393 0.9404 0.7364 0.7953 0.7404 0.9618 0.7632 0.8292 urea Urea 0.8500 0.8507 0.8604 0.8466 0.8608 0.8636 0.8547 0.8691 0.8734 0.8375 0.8335 0.8583 0.8611 0.8585 0.8515 0.8497 0.8495 0.7570 0.8504 0.8428 1.2560 0.6924 0.7097 0.7755 0.7126 0.8270 0.7174 0.7306 0.7187 0.9273 0.6025 0.8733 0.6995 0.6957 0.6621 1.0398 0.6745 0.8923 0.9266 0.6909 0.7817 0.4599 0.6412 0.7741 0.7755 0.7649 0.7788 0.7667 0.7725 0.7833 0.7773 0.7776 0.7765 0.7728 0.7691 0.7767 0.7734 0.7772 0.7181 0.7746 0.8130 0.8054 0.8102 0.8099 0.8055 0.7967 0.8122 0.8000 0.8022 0.8021 0.7755 0.7085 0.7135 0.7713 0.7624 0.6219 0.7667 0.6916 0.6609 0.6889 0.7018 0.7169 0.7700 0.6896 0.6996 0.7165 0.7107 0.7800 0.6893 0.7403 0.6778 0.7062 0.8720 0.9027 0.8102 0.7564 0.6304 0.9028 0.9076 1.0109 0.7132 1.1248 0.8608 0.7956 0.8671 0.7095 0.9305 0.9206 0.7217 0.7447 0.4359 0.9366 0.4473 0.6100 0.7951 0.8143 1.0024 0.4915 0.7023 0.7958 0.8597 0.8727 0.8188 0.6054 0.7606 0.7275 0.7263 1.0111 0.6864 0.7443 0.7713 0.7108 0.8574 0.8545 0.7256 0.7207 0.7003 0.6820 0.7142 0.7225 0.6376 1.0816 0.6534 0.7246 0.7286 0.9761 0.7079 0.6698 Ureidopropionate Ureidopropionic acid 0.6983 0.6983 0.7183 0.7402 0.7118 0.6923 0.7099 0.7075 0.7181 0.7177 0.7190 0.6901 0.6882 0.7138 0.7104 0.7123 0.7036 0.8838 0.7100 0.7134 0.5912 0.4331 0.7052 0.7434 0.7626 0.8422 0.7431 0.7734 0.7268 0.7256 0.4436 0.4670 0.4169 0.3966 0.5129 0.4525 0.4378 0.4473 0.7453 0.4597 0.7391 0.7628 0.7265 0.7609 0.7571 0.7663 0.7490 0.7528 0.7693 0.7489 0.7526 0.7525 0.7674 0.7579 0.7580 0.7447 0.7543 0.7565 0.7207 0.7056 0.7376 0.7344 0.7613 0.7149 0.7267 0.7214 0.6814 0.7217 0.7321 0.7509 0.7170 0.7265 0.7617 0.7479 0.7423 0.7576 0.3928 0.7448 0.7571 0.7090 0.7423 0.7129 0.7347 0.5792 0.7550 0.7240 0.7073 0.7324 0.5797 0.7574 0.4910 0.5099 0.8379 0.7413 0.6605 0.5222 0.7361 0.5366 0.4599 0.7866 0.4558 0.6068 0.4572 0.4903 0.7434 0.7020 0.4798 0.5663 0.3746 0.4913 0.3690 0.5867 0.7615 0.8362 0.4833 0.4805 0.8590 0.7388 0.7098 0.7380 0.7615 0.7607 0.7008 0.8041 0.5305 0.4671 0.4641 0.4806 0.7269 0.7626 0.5834 0.7429 0.5651 0.6567 0.6875 0.7013 0.4835 0.6349 0.4574 Uric_Acid Uric acid 0.8601 0.8748 0.8823 0.8719 0.8870 0.8793 0.8733 0.8855 0.8924 0.8629 0.9046 0.8699 0.7144 0.8846 0.8721 0.8601 0.8992 0.8850 0.8729 0.8614 1.2632 0.8263 0.9190 0.9832 0.9230 1.0541 0.9201 0.9220 0.9170 0.9692 0.9087 0.9180 0.8187 0.8235 0.8565 1.0598 0.8091 0.9340 0.9319 0.8222 0.9065 0.8230 0.9153 0.9018 0.8967 0.8844 0.8939 0.8915 0.9177 0.9331 0.9054 0.9005 0.8954 0.9080 0.8847 0.9058 0.8906 0.9245 0.7472 0.8852 0.8424 0.8435 0.8480 0.8476 0.8433 0.8520 0.8420 0.8395 0.8426 0.8405 0.9001 0.8881 0.8981 0.9020 0.9132 0.9128 0.9086 0.9080 0.7811 0.9037 0.8910 0.8850 0.9101 0.8998 0.9138 0.8380 0.8910 0.9189 0.8996 0.8872 0.8272 0.9164 0.9111 0.9418 1.0154 0.9030 0.8859 0.9326 0.9566 0.8586 0.8989 1.1348 0.9131 0.9973 0.8578 0.8632 0.9374 0.9502 0.9061 0.9035 0.6581 0.7041 0.6542 0.6400 0.6654 0.7023 0.9652 0.6645 0.9225 1.0194 0.9165 0.9202 1.0394 0.9205 0.9236 0.9160 0.9174 1.0111 0.9111 0.9048 0.9816 0.8702 0.9111 0.9041 0.8615 0.9011 0.8665 0.9133 0.8846 0.8975 0.8589 1.0940 0.9012 0.9110 0.8968 0.9940 0.8821 0.8846 Uridine Uridine 0.7429 0.7946 0.8102 0.7878 0.7432 0.7543 0.7996 0.7695 0.7427 0.7767 0.7504 0.7631 0.7454 0.7507 0.7474 0.7557 0.7639 0.7374 0.8013 0.7565 0.5855 0.4583 0.7148 0.7629 0.7882 0.8772 0.7676 0.7767 0.7812 0.4855 0.7514 0.4764 0.4120 0.4169 0.3907 0.5011 0.4900 0.4556 0.4086 0.7888 0.4574 0.7448 0.7967 0.7890 0.7972 0.7846 0.8014 0.7900 0.7925 0.8010 0.7881 0.7849 0.7882 0.7988 0.7855 0.7928 0.7912 0.7784 0.7864 0.7589 0.7469 0.7608 0.7604 0.7561 0.7560 0.7463 0.7529 0.7422 0.7475 0.7709 0.7782 0.7187 0.7744 0.7362 0.7716 0.7792 0.7874 0.6098 0.7739 0.7720 0.7729 0.7709 0.7622 0.7755 0.5517 0.7812 0.7683 0.7054 0.6924 0.4959 0.7434 0.4599 0.4820 0.8561 0.7460 0.6300 0.4691 0.5894 0.7463 0.5652 0.8441 0.4140 0.6557 0.4434 0.5661 0.7664 0.7534 0.6021 0.6346 0.5649 0.6450 0.7838 0.8665 0.4837 0.8774 0.7607 0.7459 0.7802 0.7897 0.5186 0.7483 0.7284 0.8473 0.5096 0.5202 0.7521 0.4877 0.7565 0.6451 0.7055 0.5936 0.5412 0.6493 0.7268 0.6948 0.5879 0.6586 0.4667 Uridine_5_diphospho_N_acetylglucosamine 0.7770 0.7006 0.7797 0.7779 0.7151 0.7881 0.7761 0.7774 0.7843 0.7871 0.8059 0.7739 0.7815 0.7062 0.7763 0.7791 0.7010 0.7952 0.7770 0.6835 0.8821 0.7994 0.8311 0.8998 0.8361 0.9707 0.8437 0.8425 0.8377 0.6742 0.8370 0.5857 0.8077 0.8084 0.6952 0.7423 0.7775 0.6643 0.6866 0.8065 0.8096 0.7960 0.8087 0.8180 0.7956 0.8003 0.8114 0.7298 0.7980 0.7992 0.8090 0.7978 0.8032 0.8112 0.7980 0.8006 0.7975 0.8067 0.8310 0.8028 0.8074 0.7945 0.8042 0.8044 0.7987 0.7915 0.8022 0.7966 0.7948 0.7964 0.8001 0.8317 0.8302 0.8109 0.8162 0.8097 0.8148 0.8166 0.7695 0.8215 0.8251 0.8413 0.8099 0.8069 0.8175 0.8261 0.8334 0.8030 0.8033 0.8245 0.7697 0.8324 0.5991 0.7062 0.9456 0.8408 0.8446 0.6213 0.6899 0.7121 0.8380 0.7943 0.6284 0.9272 0.6744 0.8360 0.6957 0.6491 0.8464 0.8412 0.7314 0.6165 0.7328 0.5398 0.7536 0.5620 1.0153 0.7394 0.8358 0.9363 0.6120 0.6752 0.9623 0.8481 0.8445 0.8475 0.8413 0.6910 0.8352 0.8428 0.9013 0.8187 0.6687 0.6863 0.8338 0.8406 0.8126 0.8198 0.8323 0.8453 0.8350 0.7726 0.8325 0.8456 0.8443 0.6931 0.8296 0.7275 valine Valine 0.8545 0.8698 0.9092 0.8996 0.8824 0.8566 0.8813 0.8896 0.9064 0.9003 0.7858 0.8472 0.8739 0.8792 0.5312 0.8631 0.8506 0.8421 0.8570 0.8497 0.6514 0.8450 0.8682 0.9153 1.0010 0.8793 0.8875 0.9114 0.4616 0.8594 0.9672 0.8645 0.9612 0.9576 0.9485 0.9523 0.9536 0.9514 0.9583 0.9617 0.9573 0.9550 0.9624 0.9531 0.9614 0.9577 0.9577 0.8874 0.9463 0.9039 0.8872 0.9041 0.9054 0.8971 0.8986 0.8942 0.8967 0.8954 0.8903 0.9244 0.8706 0.8568 0.9109 0.9004 0.9214 0.9129 0.8735 0.6612 0.8619 0.8608 0.8353 0.9319 0.9135 0.8996 0.8248 0.8583 0.9262 0.9013 0.8512 0.4674 0.8315 0.5054 0.9793 0.8438 0.7895 0.5019 0.4756 0.5850 0.7967 0.4804 0.4474 0.9360 0.4751 0.8217 0.4563 0.4310 0.8606 0.8262 0.8230 0.4705 0.5302 0.9147 0.9994 1.0058 0.8807 0.8625 0.8946 0.9113 0.4884 0.8591 0.8101 0.9718 0.4956 0.8523 0.8680 0.7850 0.8212 0.5460 0.7907 0.7845 0.7526 0.8217 vanillic_acid Vanillic acid 0.4735 0.3984 0.4989 0.4960 0.4972 0.4918 0.4674 0.5327 0.5096 0.5052 0.4974 0.5798 0.4862 0.6070 0.6446 0.5865 0.6788 0.5909 0.6103 0.5870 0.5850 0.4188 0.3970 0.6149 0.6360 0.6191 0.6808 0.6020 0.6249 0.5858 0.5798 0.7140 0.5832 0.5995 0.5859 0.6003 0.5767 0.5780 0.6172 0.5999 0.5763 0.5194 0.5030 0.4784 0.5081 0.4476 0.5061 0.4947 0.4812 0.4844 0.4567 0.5589 0.5851 0.6017 0.5720 0.6982 0.6095 0.6011 0.7211 0.4877 0.6158 0.6085 0.6181 0.5782 0.5759 0.6628 0.6234 0.5917 0.5687 0.5821 0.5905 0.6127 0.5921 0.3426 0.3699 0.6689 0.5953 0.6355 0.5792 0.6532 0.5944 0.5804 0.5898 0.4185 0.4365 0.4198 0.3948 0.4492 0.5977 0.7052 0.6751 0.5975 0.5953 0.6003 0.6013 0.5836 0.6009 0.6308 0.5211 0.5300 0.5906 0.5401 0.5913 0.5791 0.5940 0.5774 0.5779 0.6090 0.5833 0.5848 Xylitol Xylitol 1.0001 1 1 1 1 1.0012 1 1.0002 1 1 1.0004 1.0003 1.0025 1 1 1 1.0001 1 1 1 1.0855 0.8604 1.0012 0.9266 1.0282 0.9071 0.8950 0.9418 1.0004 1 0.8741 0.8729 0.8838 1.0014 0.8696 1.0001 0.9070 0.8624 0.9972 0.6820 0.9779 1 1.0002 1 1.0002 1 1 0.9772 1 1 1.0004 1 1 0.9876 1 1.0009 0.8828 1.0001 1 0.8436 1 1 1 1 1 1 1 1 0.9547 0.9165 1.0002 0.9634 0.9949 0.9634 0.9549 0.9417 0.7445 0.9325 0.8994 0.9998 0.9637 1 1 1.0001 1.0002 0.9627 0.9548 0.9253 0.8995 0.9997 1.0031 1.0091 0.9238 1.0025 1.0038 1 1.0004 1 0.9337 1.0063 0.9088 1.0001 0.9105 0.9487 0.8861 0.9219 1 1.0006 1 1 1 0.9998 1.3701 1 0.9213 1.0097 1.0008 1.0006 1.0126 1.0010 0.9115 0.8945 0.9158 0.9567 0.8947 0.9176 1.0819 1.0003 1.0004 0.8891 1.0002 0.8958 1.0001 1.0013 1.0003 0.8858 1 1.0001 0.9171 0.9135 0.9649 0.9652 xylonolactone D-Xylono-1,5-lactone 0.9335 0.8490 0.8488 0.8475 0.9267 0.8578 0.9287 0.9337 0.8491 0.8544 0.9523 0.8571 0.8470 0.9366 0.9322 0.9433 0.9340 0.8882 0.9370 0.9372 0.7181 0.5372 0.6015 0.6589 0.7021 0.8088 0.7081 0.6833 0.7015 0.6128 0.6954 0.5177 0.5389 0.5188 0.5178 0.6031 0.5732 0.5806 0.5145 0.5310 0.7433 0.5450 0.6167 0.6577 0.5732 0.6440 0.5961 0.6401 0.6327 0.8416 0.6490 0.6578 0.6847 0.6823 0.6448 0.6673 0.6413 0.6933 0.6784 0.6700 0.9037 0.8670 0.9573 0.9231 0.9235 0.8677 0.9669 0.9578 0.8320 0.9600 0.6293 0.6126 0.6228 0.5859 0.6177 0.5749 0.5928 0.5680 0.6495 0.6196 0.5745 0.6939 0.5891 0.6148 0.6094 0.6796 0.6559 0.5903 0.6188 0.6096 0.6172 0.5901 0.5735 0.6119 0.6783 0.6427 0.6159 0.4949 0.5877 0.6919 0.7073 0.4977 0.7679 0.5609 0.6873 0.6010 0.5841 0.6951 0.6284 0.4977 0.5649 0.4893 0.4725 0.4985 0.5811 0.7381 0.4886 0.6207 0.7570 0.5971 0.5859 0.7553 0.6718 0.6986 0.7049 0.7218 0.6387 0.6377 0.6139 0.7409 0.6134 0.5904 0.5928 0.5625 0.6767 0.5137 0.7145 0.5929 0.5491 0.6006 0.6519 0.5880 0.5601 0.5563 0.6360 0.5297 0.5755 z_hexose_pertms 0.7407 0.7391 0.7589 0.7178 0.7429 0.7405 0.7277 0.7310 0.7275 0.7357 0.6885 0.7469 0.7386 1.0004 0.7569 0.7542 0.7222 0.7568 0.7274 0.7299 1.1013 0.7325 0.8278 0.8791 0.8262 0.9141 0.8225 0.8005 0.8302 0.7931 0.8029 0.6895 0.6887 0.7272 0.7523 0.8689 0.8521 0.7870 0.8228 0.7109 0.7697 0.7162 0.8962 0.9489 0.8154 0.7947 0.7929 0.7965 0.7983 0.7617 0.8155 0.7732 0.8128 0.8038 0.7798 0.8156 0.7838 0.9986 0.7450 0.7933 0.7289 0.7281 0.7294 0.7317 0.7342 0.7432 0.7209 0.7142 0.6973 0.7161 0.7574 0.7761 0.7809 0.7894 0.7962 0.8188 0.9073 0.7947 0.6401 0.7935 0.7730 0.9122 0.7865 0.7754 0.7992 0.7666 0.7823 0.8070 0.7856 0.7745 0.8982 0.7923 0.9715 0.8528 0.9073 0.7833 0.7803 0.7073 0.7017 0.7274 0.7773 0.8935 0.7705 0.8845 0.7610 0.7807 0.8250 0.8537 0.8035 0.7968 0.5934 0.6627 0.7400 0.5572 0.6073 0.6105 0.8092 0.6135 0.8246 0.9486 0.8440 0.8452 0.9361 0.9077 0.8315 0.8300 0.8495 0.7241 0.7654 0.7903 0.8495 0.7719 0.7396 0.7141 0.7460 0.7974 0.8674 0.8013 0.7708 0.7976 0.7512 0.9627 0.8176 0.8203 0.8131 0.7834 0.8029 0.7959 z_phthalate 0.7240 0.7158 0.7391 0.7405 0.7328 0.7465 0.7133 0.7311 0.7345 0.7626 0.7304 0.7322 0.7462 0.7595 0.7233 0.6901 0.7106 0.7360 0.7066 0.7089 1.1598 0.7281 0.8194 0.8719 0.8246 0.9343 0.8111 0.8177 0.8072 0.9245 0.8306 0.8900 0.7437 0.7357 0.7794 1.0079 0.7605 0.8978 0.8662 0.7463 0.7766 0.6862 0.7783 0.7913 0.7733 0.7747 0.7760 0.7628 0.7631 0.7818 0.7800 0.7674 0.7723 0.7670 0.7684 0.7751 0.7626 0.7922 0.7459 0.7805 0.7106 0.7148 0.7113 0.7120 0.7697 0.7085 0.7016 0.7036 0.7110 0.7064 0.7659 0.7561 0.7652 0.7587 0.7603 0.7765 0.7739 0.7822 0.6307 0.7707 0.7313 0.7519 0.7579 0.7613 0.7864 0.7002 0.7570 0.7852 0.7706 0.7277 0.7674 0.8281 0.8731 0.8942 0.9121 0.8124 0.8142 0.9053 0.9267 1.0011 0.8527 1.1199 0.9124 0.9436 0.8292 0.8586 0.9192 0.9476 0.8305 0.8286 0.7061 0.9100 0.7136 0.7807 0.7273 0.8116 1.0921 0.7134 0.8706 0.9623 0.9119 0.9196 0.9839 0.8659 0.8724 0.8640 0.8694 0.9557 0.8276 0.8356 0.8753 0.8350 0.8811 0.8593 0.8160 0.8154 0.8271 0.8153 0.8276 0.8226 0.8284 1.0281 0.8328 0.8276 0.8175 0.9669 0.8217 0.8689 zymosterol Zymosterol 0.4719 0.4798 0.5002 0.4937 0.4989 0.4675 0.4813 0.5048 0.5037 0.4897 0.4591 0.5062 0.4459 0.5036 0.4710 0.4552 0.4993 0.4938 0.4296 0.4850 0.9327 0.5876 0.7009 0.7467 0.7029 0.8058 0.7099 0.7123 0.7018 0.7362 0.6814 0.7563 0.5739 0.5581 0.5994 0.7987 0.6485 0.7334 0.6558 0.5716 0.5383 0.5863 0.5695 0.5582 0.5281 0.5352 0.5700 0.5590 0.5396 0.5280 0.5216 0.5198 0.5501 0.5523 0.5073 0.4620 0.5499 0.5510 0.5621 0.5339 0.5263 0.5246 0.5170 0.5106 0.5240 0.5238 0.5218 0.4541 0.4173 0.5187 0.5343 0.5039 0.5583 0.5196 0.4710 0.5326 0.5462 0.5381 0.5976 0.5429 0.5309 0.5205 0.5160 0.5305 0.4876 0.5136 0.5486 0.5354 0.5037 0.5097 0.6706 0.5924 0.5760 0.6174 0.5973 0.5971 0.5337 0.6242 0.6731 0.7403 0.6649 0.7445 0.7420 0.7203 0.5740 0.6444 0.6296 0.6829 0.6615 0.6646 0.6342 0.4135 0.4783 0.4695 0.5723 0.8975 0.4394 0.7000 0.7739 0.6912 0.6941 0.7871 0.7146 0.6967 0.6921 0.7881 0.6585 0.6664 0.7129 0.6224 0.6769 0.6848 0.6614 0.6652 0.5637 0.6546 0.6463 0.6447 0.6277 0.6620 0.6655 0.6753 0.6427 0.7031 0.6321 0.6265