Metabolite_name RefMet_name A1 B1 G1 L1 S1 T1 Factors - Species:Apple | Variety:Gala Species:Basil | Variety:Sweet Species:Garlic | Variety:Softneck Species:Lettuce | Variety:Iceberg Species:Strawberry | Variety:Honeoye Species:Tomato | Variety:Globe type 10-Hydroxy-2-decenoic acid 519735 342901 218040 2406003 2307264 468230 1_15N2-L-Arginine iSTD 30750518 18987584 33166488 34629352 31747244 1_3_4_6-Tetra-O-acetyl-.beta.-D-mannopyranose 5882572 9184 675931 1043386 4219922 7809 1_3-Benzenediol_ 5-methyl-4-[(1R_6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- 8538 1047115 4582 14829 502355 72728 1_4-Cyclohexanedione 1294483 1169848 2060462 5280810 3812550 5404456 1_5-Pentanediamine Cadaverine 1657990 1553054 1158774 20105150 1580484 4131607 1_6-Anhydro-2_3-O-isopropylidene-.beta.-D-mannopyranose 189118 28946 406442 381270 92887 16559 1-.beta.-D-Arabinofuranosyluracil 5^-monophosphate 526 230409 5260 26911 36547 277575 1_CUDA iSTD 22406264 27185070 20312430 20755780 24878474 1_D10-Isoleucine iSTD 22577364 25858756 20885966 21385012 20378674 1_D10-Leucine iSTD 44210508 43681560 43160664 46076712 46248896 1_D3-1-Methylnicotinamide iSTD 276860960 280537024 268225904 292278752 273663360 1_D3-AC(2:0) iSTD 66979832 62636692 61678492 68693200 64706952 1_D3-Aspartic Acid iSTD 5890322 4056264 7218437 4626892 15003469 1_D3-Creatine iSTD 78140760 77982160 159334496 149988768 168227664 1_D3-Creatinine iSTD 347542240 348616000 354960448 356552096 353736448 1_D3-DL-Alanine iSTD 19402316 19306786 24522662 23230314 22583196 1_D3-DL-Glutamic acid iSTD 23909600 18052860 28318528 26183438 25247140 1_D3-Histamine_ N-methyl- iSTD 5505384 6180572 4129051 4841887 4339014 1_D3-L-Carnitine iSTD 157655568 139970048 224964960 149712128 154543120 1_D3-Serine iSTD 6216262 6141169 8280126 7866316 8152652 1_D4-Cystine iSTD 2109847 2054732 2557456 2092985 2922502 1_D5-Glutamic acid iSTD 21084238 15113738 23454680 21592568 20739824 1_D5-L-Glutamine iSTD 19859376 16434014 36809044 38431592 25681058 1_D5-Threonine iSTD 4337174 6671487 6899411 6760811 8950365 1_D7-Arginine iSTD 84842912 53079672 91353320 96591416 87481184 1_D7-Proline iSTD 58919752 53751872 97440360 62403436 62122052 1_D8-Phenylalanine iSTD 13998575 12691539 12247054 15294519 13876274 1_D8-Tryptophan iSTD 4173254 3934042 3849507 4632840 4140423 1_D9-Betaine iSTD 363027392 359936960 348940640 369166912 361492288 1_D9-Butyrobetaine iSTD 288126176 250531232 389184128 269879648 272859264 1_D9-Choline iSTD 148358592 106542840 111558976 211582736 209756800 1_D9-Crotonobetaine iSTD 380683424 368039296 454657280 380686336 428597920 1_D9-TMAO iSTD 85991688 80877928 81941464 88088640 80970128 1-Hexadecylamine 1-Hexadecylamine 256300 160466 208336 351123 544535 477726 1H-Imidazole_ 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]- 6985 5900 589.9900 139740 93277 120403 1-Methylnicotinamide 1-Methyl nicotinamide 212672 283496 185321 488064 344796 108932 1-Methyltryptophan 1-Methyltryptophan 904.3800 904.3800 378918 904.3800 904.3800 904.3800 1-naphthylamine 1-Naphthylamine 444.8100 444.8100 61196 7121 34494 31904398 1_Val-Tyr-Val iSTD Val-Tyr-Val 2316950 2060158 1908740 2444975 2257380 2_4-Thiazolidinedione_ 5-[[4-[2-(2-thienyl)ethoxy]phenyl]methylene]- 7883 788.2600 29305460 788.2600 788.2600 788.2600 2_6-Diaminopimelic acid 2,6-Diaminopimelic acid 148625 537426 33716 38655 55644 55487 2_6-Di-tert-butyl-4-hydroxymethylphenol 1261081 1364434 13522 860710 1046377 779260 2-alpha-Mannobiose 51000 142310 937.8800 188635 23022 937.8800 2-Amino-1-phenylethanol 2-Hydroxyphenethylamine 342828 778402 2243793 4681880 750086 8764845 2-Amino-2-methyl-1_3-propanediol 42656 48206 45363 97723 35472 75931 2-Aminoadipic acid alpha-Aminoadipic acid 43221 266797 524981 196035 220757 541982 2^-Deoxyadenosine Deoxyadenosine 1032825 978369 565476 744298 578533 257879 2^-Deoxycytidine 5^-monophosphate dCMP 2147.9000 454558 2147.9000 2147.9000 2147.9000 2147.9000 2^-Deoxyguanosine Deoxyguanosine 151757 120656 29473 200892 122159 58184 2-Hydroxy-5-nitrobenzyl alcohol 1514913 11936189 6392502 390063 2695202 21011928 2^-O-Methyladenosine 2'-O-Methyladenosine 7194 52324 262242 220348 25609 146452 2^-O-Methylguanosine 2'-O-Methylguanosine 709.6500 55775 114510 319634 7097 758993 (2-oxo-2_3-dihydro-1H-indol-3-yl)acetic acid 2-Oxindole-3-acetate 2324.6000 2324.6000 782650 2324.6000 65011 2324.6000 2-tert-Butyl-p-quinone 25030 1468533 20319 23643 22610 21092 3_4-Dihydroxyphenylacetic acid 3,4-Dihydroxybenzeneacetic acid 1331.3200 1426962 13313 1331.3200 1331.3200 1331.3200 3_4-Dihydroxyphenylalanine (DOPA) 850.6800 850.6800 850.6800 850.6800 8507 3535414 (3_4-Dihydroxyphenyl)ethanol 4164.1000 4164.1000 4164.1000 4164.1000 334919 4164.1000 3_4-Dimethylmethcathinone 795.3000 320641 416790 423413 795.3000 72881 3_7_4^-Trihydroxyflavone 19811.6200 19811.6200 19811.6200 19811.6200 1159919 19811.6200 3_7-Dihydroxy-3^_4^-dimethoxyflavone 2861.1400 2131465 28611 2861.1400 2861.1400 2861.1400 3.alpha._4.beta._3.alpha.-Galactotetraose 14346 1434.5500 25418950 5105103 1434.5500 1434.5500 3.alpha._4.beta.-Galactotriose 20766360 137629 29934896 1733657 16094015 116532 3.alpha.-Galactobiose 3881450 8038.5000 80385 376401 3406742 8038.5000 3.alpha.-Mannobiose 27318220 119224 3326839 4884934 18504408 46436 (3-Carboxypropyl)trimethylammonium 146579 224292 12577473 223532 251823 190594 3-Cyclopentene-1-octanoic acid_ 2-(3-hydroxy-1-penten-1-yl)-5-oxo- 823.8400 642422 823.8400 471786 72255 262409 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid 199322 5347 11198 232907 534.6800 365587 3-Furancarboxylic acid_ tetrahydro-4-methylene-2-octyl-5-oxo-_ (2R_3S)-rel- 126981 879313 83546 196353 88209 198222 3^-Galactosyllactose 1958029 9582.7100 95827 271263 2283693 9582.7100 3-Hydroxy-4-methoxybenzyl alcohol 23150 580436 144256 309941 1131843 60226 3-Hydroxy-6_3^_4^-trimethoxyflavone 1083986 22597508 1083986 1083986 1083986 1083986 3-Methoxytyramine 3-Methoxytyramine 5476 23285 1834264 457.2000 457.2000 169811 3-Methylcytidine 3-Methylcytidine 2041.0300 20410 2041.0300 60206 2041.0300 474796 3-Methylhippuric acid 272935 436277 213203 252454 849655 321399 3-Methylhistidine 3-Methylhistidine 373076 182285 1065047 342816 436199 513131 3-Methylthiopropylamine 3-Methylthiopropylamine 490.4600 5150 490.4600 490.4600 5474 3613330 3-Pyridinecarboxaldehyde 3-Pyridinecarboxaldehyde 509.5400 8379 746537 5237 13923 509.5400 3-Pyridinemethanol 1062553 19656 2675207 30199 7802696 437017 (3R)-4_4-Dimethyl-2-oxotetrahydro-3-furanyl beta-D-glucopyranoside 60497 34075 2704.3000 2704.3000 762569 2704.3000 4-(2-Hydroxyethyl)piperazine-1-ethanesulfonic acid 300398 265689 187280 1854871 1677455 34997 4_4-Dimethyl-L-glutamic acid 34091 17445 7835 13487 111342 5221366 4^_7-Dimethoxy-3-hydroxyflavone 87023.6200 1892597 87023.6200 87023.6200 87023.6200 87023.6200 4-Acetamidobutyric acid 4-Acetamidobutanoic acid 5532 30329 47620 111260 32130 1941 4-Aminobenzoic acid p-Aminobenzoic acid 107818384 454459 452992128 266287584 143874384 427395072 4-Guanidinobutyric acid 4-Guanidinobutanoic acid 443823 4404138 3132988 1238202 980252 467090 4-Hydroxy-3-methoxyamphetamine 516.2700 516.2700 516.2700 516.2700 516.2700 533012 4-Hydroxyhippuric acid 4-Hydroxyhippuric acid 21576.5200 2731842 21576.5200 21576.5200 21576.5200 21576.5200 4-(Hydroxymethyl)-1-isopropyl-3-cyclohexen-1-yl beta-D-glucopyranoside 8434.6300 8434.6300 8434.6300 8434.6300 459640 8434.6300 4-Ketopimelic acid 6766.4900 6766.4900 6766.4900 6766.4900 745700 6766.4900 4^-Methoxypelargonidin 9993.4600 1013441 9993.4600 9993.4600 9993.4600 9993.4600 4-Methyl-5-thiazoleethanol 5-(2-Hydroxyethyl)-4-methylthiazole 311935 1602.0100 24192 17643 16020 1602.0100 4-Methylbenzyl alcohol 57525 668623 21230 180906 168473 103467 4-Pyridoxic acid 4-Pyridoxic acid 1352791 1531474 1917957 10943537 7182248 173449 5_3^-Dihydroxy-6_7_4^-trimethoxyflavone 1388.8200 19312682 13888 1388.8200 1388.8200 1388.8200 5-Amino-1-methyl-2-piperidinone 10949 16857 787285 24681 12016 6103 5-Androstene-3.beta._17.beta.-diol 47582 69394 61365 3451664 191903 98144 5-Hydroxy-2-methylpyridine 17736 14684 521035 18813 23284 6601 5-Methylcytidine 5-Methylcytidine 22048.1800 22048.1800 22048.1800 22048.1800 22048.1800 295765 5-Methylcytosine 5-Methylcytosine 105570 672394 1068722 509353 54679 1011712 5^-S-Methyl-5^-thioadenosine 5'-Methylthioadenosine 377678 1313745 2487062 530690 1252587 4597525 6-[5_7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3_4_5-trihydroxyoxane-2-carboxylic acid 27917.4900 27917.4900 27917.4900 27917.4900 1191970 27917.4900 6-Methyladenosine N6-Methyladenosine 66535 682159 202440 949796 131276 8387510 6^^-O-Malonylgenistin 589.4300 589.4300 5894 589.4300 2001587 589.4300 7-Methylguanosine 7-Methylguanosine 3955.1200 39551 128209 98626 3955.1200 725497 9(10)-Epoxy-12Z-octadecenoic acid 9(10)-EpOME 37022 90969 35468 287515 156437 1711098 9-Oxo-10E_12Z_15Z-octadecatrienoic acid 9-oxo-OTrE 610.4600 282668 610.4600 24434274 173221 110546 9-Oxo-10E_12Z-octadecadienoic acid 9-OxoODE 526520 443211 128782 1172060 1273446 1888706 Abietic acid Abietic acid 532692 826836 179360 692948 839610 672599 (+)-Abscisic acid Abscisic acid 138008 184562 9594.5300 141799 9467272 1269265 Abscisic acid Abscisic acid 43084 73369 508.5100 31766 2404900 341168 Acetylcarnitine CAR 2:0 71455 33375 1738290 546433 177513 47952 Acetyl coenzyme A Acetyl-CoA 1042.1600 253073 10422 97361 880896 1042.1600 Acetyleugenol 17449 3604212 201479 13669 10289 10976 Adenine Adenine 7125194 71198816 3586498 9270416 29539954 8814647 Adenosine Adenosine 23040272 66374156 32645692 103442744 102258160 163829616 Adenosine 5^-monophosphate AMP 16774 571414 67393 210876 369851 5963782 Agmatine Agmatine 80186 805678 2871808 679638 356691 786948 Ala-Ala Ala-Ala 208261 322749 130932 334294 493086 282748 Ala-Ile Ala-Ile 42508 221355 33126 572610 555339 3312.6300 Ala-Lys Ala-Lys 69315 127745 43171 1207865 305819 34158 Alanine Alanine 1396289 21480762 21912438 17100532 25482692 3554014 Ala-Val-Arg Ala-Val-Arg 5055 25504 505.4500 377855 49894 27333 Aleuritic acid 5536949 22375 8078.6300 1833.2100 1833.2100 6626.6300 Allantoic acid Allantoic acid 5402 940226 540.2200 3430909 540.2200 8521 Allicin Allicin 43057.6400 1629940 6625554 43057.6400 43057.6400 43057.6400 .alpha._.beta.-Trehalose 182436 3315060 90147 195999 77267 689119 .alpha.-Guanidinoglutaric acid alpha-Guanidinoglutaric acid 557246 3653305 1946109 537471 2448741 23785050 .alpha.-Ionone alpha-Ionone 540.7100 674340 540.7100 11064 540.7100 540.7100 Apigenin 7-O-neohesperidoside 1632.3600 1632.3600 1632.3600 1632.3600 390211 1632.3600 Apiin Apiin 809.5700 8096 809.5700 809.5700 1568975 809.5700 Arg-Ala Arg-Ala 702078 947624 179393 3712105 1625014 338845 Arg-Gln Arg-Gln 22818 93531 462.0800 322598 47290 6003 Arg-Gly Arg-Gly 277798 566741 39105 732370 715611 19802 Arginine; [M+H]+; HCD (NCE 20-30-40%) Arginine 18253724 14478285 517510528 94688672 25114374 42944628 Argininosuccinic acid Argininosuccinic acid 2307.6700 328638 113579 53073 23077 2307.6700 Arg-Leu Arg-Leu 566450 959084 259477 2628002 772341 154187 Arg-Pro Arg-Pro 639.4000 49569 639.4000 146870 6394 639.4000 Arg-Tyr Arg-Tyr 56329 121255 136856 317208 126336 137553 Arg-Val Arg-Val 278859 424685 20276 1031488 397160 24021 Asn-Arg Asn-Arg 69561 112886 6773 619519 150274 12840 Asparagine Asparagine 15153058 6581484 15516699 179347184 217287776 35353672 Astragalin 29316 49548 711.8500 711.8500 1156689 711.8500 Benzyl alcohol Benzyl alcohol 139856 1430906 93222 454889 158775 271345 .beta.-Carboline-1-propionic acid 1608464 2480269 134432 608163 533008 467459 .beta.-Gentiobiose beta-Gentiobiose 580060 2287385 3038965 838489 248314 650570 Betaine Betaine 25183030 23184354 98353864 66083488 68857576 14856252 .beta.-Sitosterol Sitosterol 225286 745642 605129 1005500 562094 280682 Bisabolol oxide A 35505 695796 3550.5500 53073 31137778 3550.5500 Caffeic acid Caffeic acid 473.7400 64772 4737 473.7400 473.7400 363944 Caffeine Caffeine 22810 76931 1185.2000 37552 61995 16200 (+)-Camphor Camphor 494.1500 2033809 494.1500 4941 494.1500 494.1500 Carnitine Carnitine 2899997 4033272 19519226 5891187 6712755 2119217 Carnosine Carnosine 21234 47556 854.6000 131032 106239 854.6000 (-)-Carveol 95337 327451 215620 141908 2783839 233616 (-)-Caryophyllene oxide Caryophyllene alpha-oxide 394458 243923 20098 43583 1577993 108807 Castanospermine Castanospermine 9810 81759 369299 96096 564191 308136 (+)-Catechin Catechin 9343578 26035 47161.9200 22306.9200 517381 8639352.9200 Choline Choline 187400816 2755983616 2708620800 2766514432 448604160 2192644096 Chromone-3-carboxylic acid Chromone-3-carboxylic acid 26688 811001 416732 1852756 910783 2825716 Cinnamaldehyde Cinnamaldehyde 6977 11452 9072 271914 856470 170136 cis-Jasmone cis-Jasmone 15201 1891107 12059 244514 44392 148145 Citric acid Citric acid 87175 68227 77235 138276 706636 77871 Citrulline Citrulline 587619 9880051 29512588 4876682 2396207 19394334 Coniferyl alcohol Coniferyl alcohol 431.2500 431.2500 4312 6299 11498215 431.2500 Creatine Creatine 1795541 1342524 863083 2508325 9140832 248780 Creatinine Creatinine 359848 438288 224875 1237911 1102693 204706 Curcumol 56323 179247 13080 284853 3262201 73687 Cystine Cystine 692.1800 6922 12156 692.1800 692.1800 48178 Cytidine Cytidine 144823 52807 198440 206911 655974 1322445 Cytidine-5^-monophosphate CMP 1720.0400 17200 1720.0400 1720.0400 313491 73396 Cytosine Cytosine 774643 407792 473982 579459 800259 1136178 D-2-Aminoadipic acid 1960157 803394 1965819 1213433 2048518 580839 .delta.-Octalactone 150785 85572 16542 45947 2741168 305595 D-erythro-Imidazolylglycerol phosphate 143470 309156 215654 2133125 76264 241264 D-Fructose 6-phosphate Fructose 6-phosphate 14382 64399 1438.2000 15469 332935 528626 D-Glucosamine Glucosamine 2956772 259757 1925222 1446259 1681255 1224347 D-Glucose 6-phosphate Glucose 6-phosphate 203098 441292 17083.2300 481940 1098809 1342499 Dicyclohexylamine N,N-Dicyclohexylamine 350197 595631 327548 802104 613720 737789 Digalacturonic acid Digalacturonic acid 20419.2700 20419.2700 20419.2700 20419.2700 31826.7200 2345064 (+)-Dihydrocervone 7020 1042679 5465 9590 87256 21407 Dikegulac acid 67700 65686 45796 149501 224850 113654 Dimethyl succinate Dimethyl succinate 534.6200 534.6200 534.6200 534.6200 5346 3620795 DL-2-Methylglutamic acid N-Methyl-glutamic acid 331745 2034100 115274 567676 515758 555539 DL-.alpha.-Aminopimelic acid 204624 188385 71390 125713 891210 51712 DL-Arginine Arginine 756469 10059706 83489776 18325170 887484 352704 DL-.beta.-Homoleucine 413047 233899 36433 207364 575197 368772 DL-Lanthionine 2011.8700 2011.8700 1899932 2011.8700 2011.8700 2011.8700 DL-Octopamine 11621 2984097 3531090 5013 16845 2781860 DL-Ornithine Ornithine 363784 221733 1593301 540803 389344 324465 DL-Phenylalanine Phenylalanine 18191 37542 2290314 22588 20843 29580 D-Mannosamine 2-Amino-2-deoxy-D-mannose 3764499 494510 5108092 933489 3200456 869217 D-myo-Inositol-1-phosphate 54688 37765 21075 52037 173226 480562 D-Psicose Psicose 58679132 239981 7217445 10512935 40379272 331414 D-Pyroglutamic acid 10810 164190 41750 700636 795968 1368698 D-Sorbitol Sorbitol 3557266 130104 10586.3700 367740 497523 97660 D-(+)-Trehalose Trehalose 523104832 2435036 70745952 98836440 362245696 1489664 D-Turanose 67910782 287603.2600 8604144.2600 12341586.2600 46975344 198893.2600 D-Xylulose L-Ribulose 2585746 5334 265937 520363 1759787 533.4500 Eleutheroside B Syringin 15642 59095 945.2400 1671095 945.2400 22877 Ergothioneine Ergothioneine 762.6800 762.6800 1983233 14494 60823 762.6800 Erlose Erlose 2091616 2585966.9500 730425.1700 3356515 966175 182993.9500 Erythrodiol 6792 1410214 18591 379791 84279 136221 Ethanolamine Ethanolamine 458297 13345172 981677 10924907 1443207 4964417 Ethyl 4-hydroxyquinoline-2-carboxylate 869365 2231795 888732 1727110 1356247 1670336 Farnesal 575.2900 575.2900 575.2900 575.2900 526680 5753 Feruloylputrescine Subaphylline 5787.6200 5787.6200 5787.6200 5787.6200 57876 19378058 Galactinol Galactinol 70984 2251908 78504 56767 35033 3503.3400 Galactosamine Galactosamine 22466672 141208 3791059 4363502 15565560 246004 .gamma.-Aminobutyric acid gamma-Aminobutyric acid 615504 32773094 1360100 13962935 6009671 21480745 gamma-Glutamylleucine gamma-Glutamylleucine 21220 82794 16502897 104975 91979 68401 gamma-Glutamylmethionine gamma-Glutamylmethionine 1162.9100 27547 8370043 18071 17580 11629 .gamma.-Glutamyl-(S)-allyl-L-cysteine 350286.5700 48243.6000 416814640 59267.5700 23791.5700 17717.5700 gamma-Glutamyltyrosine gamma-Glutamyltyrosine 908.9800 908.9800 1661283 908.9800 908.9800 908.9800 Geranic acid Geranic acid 697058 433030 236502 577052 1899548 467287 Geraniol Methyl geranate 2059.4000 765778 2059.4000 2059.4000 2059.4000 2059.4000 Ginkgotoxin Ginkgotoxin 44926 127189 662944 34840 51422 33367 Glabridin 2495426 28100.7900 28100.7900 28100.7900 28100.7900 28100.7900 Gln-Ala Gln-Ala 562046 741119 172050 1898233 1194355 183181 Gln-Arg Gln-Arg 711.0200 73624 7110 301919 82678 711.0200 Gln-Gln Gln-Gln 283401 221305 926109 1227914 272754 62895 Gln-Leu-Arg Gln-Leu-Arg 508.2200 5482 508.2200 44513 11238 5082 Glucose 1-phosphate Glucose 1-phosphate 242841 220063 22006.2100 481157 419872 1475063 Glucose-6-phosphate Glucose 6-phosphate 61633 169699 6163.2500 191869 603370 358755 Glu-Gly-Arg Glu-Gly-Arg 89648 68717 119420 1106973 975004 5953 Glu-Phe Glu-Phe 158866 1236.3900 236385952 25300 22110 50588 Glu-Phe-Arg Glu-Phe-Arg 1089.3700 1089.3700 539980 10894 1089.3700 1089.3700 Glutamic acid Glutamic acid 13519279 87265512 47561412 9486118 57793516 567985216 Glutamine Glutamine 3731010 39435368 10829547 622355776 155999936 355962368 Glutathione (reduced) Glutathione 56621 142475 125610 80166 11504397 2901020 Glu-Thr Glu-Thr 1315.7300 1315.7300 1315.7300 13157 1315.7300 1315.7300 Gly-Ala-Lys Gly-Ala-Lys 530.8200 133896 530.8200 487730 67038 5308 Gly-Arg Gly-Arg 277798 566741 88861 1402281 715611 49598 Glycine Glycine 109865 267753 353566 259777 415567 261677 Glycyl-L-4-hydroxyproline 77943 45089 88619 385045 506325 640.0500 Gly-Glu-Lys Gly-Glu-Lys 63462.8100 63462.8100 63462.8100 63462.8100 3736240 63462.8100 Gly-Leu-Arg Gly-Leu-Arg 74616 72550 7128 504800 125409 25140 Guanine Guanine 194377 286566 458943 499491 284639 2039037 Guanosine Guanosine 529737 751773 1201555 1338841 695808 5458125 H-gamma-glutamyl-glutamine gamma-Glutamylglutamine 1216.4800 72475 12165 800545 308424 513219 His-Pro His-Pro 85858 53324 169991 170010 160880 257931 Histamine Histamine 155791 4748952 422264 318957 257864 18071952 Histidine Histidine 1862747 2903814 23749390 13934442 4228798 45962172 His-Val His-Val 267283 186149 115613 1188364 436386 11561.3200 Homoarginine Homoarginine 108358 388953 5588572 184483 64277 298219 Hypoxanthine Hypoxanthine 761733 804737 377108 2179374 1686923 320865 Iberin 2709772 61328 119993 127752 106867 2523544 Ile-Arg Ile-Arg 186678 247763 326617 1250695 450654 189804 Ile-Ile Ile-Ile 274359 558253 91206 592713 518514 308688 Indole-3-carboxaldehyde 1H-Indole-3-carboxaldehyde 8632 349603 863.1700 248710 863.1700 863.1700 Indole-3-pyruvic acid Indolepyruvate 13187.0200 13187.0200 13187.0200 13187.0200 13187.0200 422262 Inosine Inosine 419238 303438 212894 952291 784677 178238 Isoeugenyl acetate 425.1400 1938570 4251 8803 9137 5991 Isoleucine Isoleucine 3463618 3441300 2534439 45277080 3562593 9474548 Isovaleryl-L-carnitine CAR 4:0;3Me 32970 29636 457308 62209 62003 24241 Kaempferol-3-O-rutinoside Kaempferol-3-O-rutinoside 2498.5500 40836 2498.5500 2498.5500 376151 2498.5500 Kaempferol-7-O-neohesperidoside Kaempferol-7-O-neohesperidoside 1407.5200 18068 1407.5200 1407.5200 304971 1407.5200 Lactitol Lactitol 37300920 119301 548934 7497.2000 165827 74972 L-(.+/-.)-Alliin 264648.5500 220550.3500 159535976 220550.3500 220550.3500 220550.3500 L-Asparagine Asparagine 635266 151402 601366 8398968 10145857 1404502 L-Aspartic acid Aspartic acid 2024530 3235227 381118 2414745 9588352 13841631 L-beta-Homothreonine 70401 218319 1637707 34002 292980 235720 L-Citrulline Citrulline 205802 3610159 11423161 2077559 896217 7749401 Leu-Arg Leu-Arg 286268 632352 605693 1878237 673159 808803 Leu-Phe Leu-Phe 4879 147756 487.8900 152145 71728 220039 L-.gamma.-Glutamyl-L-glutamic acid gamma-Glutamylglutamic acid 11884 22188 11951 2246 43884 511251 L-Glutamic acid Glutamic acid 17543 326895 91293 31550 302157 1546099 L-Glutamic acid_ dimethyl ester 22956 72451 69564 136148 291766 403189 L-Glutamine Glutamine 1800049 19334588 5148214 318692448 77832968 183459504 L-Histidine Histidine 1501367 390729 1409941 2032986 1622315 2589766 L-Histidinol L-Histidinol 10053 611156 105231 82296 29167 25724 Linalool oxide 7729 68898 5351 27251 895371 9603 Linamarin Linamarin 79187 195476 3129.2900 298690 205906 727687 L-Leucyl-L-leucine methyl ester 73432 126731 89183 1474467 146681 799252 L-Methionine Methionine 142142 32900 31352 164250 244721 798245 L-NG-Monomethylarginine 8198.6900 551594 279081 100250 8198.6900 144105 L-Saccharopine Saccharopine 3425 55453 61206 215900 126185 34250 L-Tryptophan Tryptophan 72168 262226 1024726 1903487 1867945 2556766 Luteolin Luteolin 655.3400 6553 655.3400 655.3400 276684 655.3400 Luteolin 7-glucoside 6906 690.5800 690.5800 690.5800 930500 690.5800 Lys-Ala Lys-Ala 164918 156584 8081 776226 279822 69341 Lys-Gln Lys-Gln 27941 107700 2794.0800 354170 133286 2794.0800 Lys-Gly Lys-Gly 47389 104280 9210 242507 138274 17751 Lysine Lysine 4577598 2204082 36467900 15496573 7852710 15389387 Lys-Leu Lys-Leu 538170 986009 172735 2989246 1013209 394310 Lys-Val Lys-Val 334473 416629 560696 2592331 432197 8104902 Maltitol Maltitol 3466724 238985 7415 19343 8440 96347 Maltotriose Maltotriose 91556 2473291.1800 769931 16812.1800 6426.4400 6426.4400 Melezitose Melezitose 11919761 11155 27834992 11246458 1926773 8264 Melibiose Melibiose 328146 8549196 34282 261593 187498 103214 Met-Arg Met-Arg 756.8000 17781 756.8000 325469 7568 23110 Methacholine Methacholine 69427 405009 69555 155296 109984 11742 Methionine Methionine 964055 205562 290003 1334566 1442846 4364102 Methionine sulfoxide Methionine sulfoxide 133487 321297 226717 844768 346496 243844 Methioninesulfoxide A 845400 658323 180461 1245242 1548103 180764 Mevalonic acid Mevalonic acid 9836 39477 428.5200 428.5200 354142 4285 Monolinolenin (9c_12c_15c) 9373.3000 12200896 22857 2628098 144560.3000 184257.3000 N-2-Hydroxycyclopentyladenosine 473.4300 473.4300 473.4300 65808 473.4300 9830 N2_N2-Dimethylguanosine N2,N2-Dimethylguanosine 664.1200 6641 22644 22238 664.1200 1170994 N-3-Hydroxydecanoyl-L-homoserine lactone 207436 773510 764988 1233253 789968 908446 N6-Isopentenyladenosine N6-Isopentenyladenosine 52059 97437 2505.3400 707825 25450 25053 N8-Acetylspermidine N8-Acetylspermidine 204201 257817 245343 242513 411773 1116510 N-Acetyl-D-galactosaminitol N-Acetylgalactosaminitol 1591962 2552368 122289 872104 2410974 160924 N-Acetyl-D-glucosamine N-Acetylglucosamine 869618 34765 41204 1112484 828037 4175082 N-Acetyl-D-lactosamine N-Acetyllactosamine 1283203 27196 158800 226867 1022282 2719.6400 N-Acetyl-DL-valine 888137 2286429 1022950 899788 160257 1333993 N-Acetylhistidine N-Acetylhistidine 497659 1548822 164593 464370 2194836 124805 N-Acetylneuraminic acid N-Acetylneuraminic acid 70077 526496 14377 798664 277330 1267566 N-acetyl putrescine N-Acetylputrescine 2192422 1113216 807444 1445551 1329901 15766198 N-.alpha.-Acetyl-L-arginine N-Acetylarginine 376612 13053127 6338343 1838564 2109054 1892178 N-.alpha.-Acetyl-L-ornithine N-Acetylornithine 147012 471009 868636 369499 248200 41052.3300 N.alpha.-Methyl-L-lysine N(2)-Methyl-lysine 469906 1722489 1113529 674750 593920 269798 N-.alpha.-(tert-Butoxycarbonyl)-L-histidine 275519 284690 2349543 1891278 433789 4858819 N-Carboxyethyl-.gamma.-aminobutyric acid N-Carboxyethyl-gamma-aminobutyric acid 281592 1240950 1449213 123254 550508 127433 N-epsilon-Acetyllysine N6-Acetyllysine 130802 588128 3572862 509260 841522 1888133 N.epsilon.-Methyl-L-lysine N(6)-Methyllysine 223936 17275 8004790 500827 108986 259537 Nicotinamide Niacinamide 1864949 10303741 8491940 2282780 3728093 3445870 Nicotinamide riboside Nicotinamide riboside 5302993 729086 4389747 449628 8722232 247229 Nicotinic acid Nicotinic acid 233254 292649 52233 2628870 784959 231898 Nipecotic acid 66543 3577047 22174 55986 16817 33974 N-Methylalanine N-Methylalanine 1903741 130813480 4873799 58492444 25483396 100047272 N-Methylanthranilic acid 2-(Methylamino)benzoic acid 28130 21234 165429 17932 4293940 30216 N-Methylglutamic acid N-Methyl-glutamic acid 1620516 193760 1588348 1426414 2094549 721975 N-Methyl-L-proline N-Methyl-proline 1414956 697511 11399425 4837964 2449660 4713950 N-Methyl-L-threonine 214107 1051579 256791 1654179 308386 244531 N-Methyllysine N(6)-Methyllysine 44736 89359 95934 201767 239024 767.6900 N-Methylphenylalanine 551.5200 6052 298918 6977 7859 6857 N-Methylproline N-Methyl-proline 166405 314484 975081 251139 464486 258437 N-Methyltryptamine N-Methyltryptamine 377038.1700 377038.1700 377038.1700 377038.1700 377038.1700 3770382 N-Methylvaline N-Methyl-valine 1666283 3229002 12008135 28588244 3481295 8559890 N_N-Dimethylarginine Dimethylarginine 1411965 5188103 18714788 7845569 2275401 15568503 N-omega-Acetylhistamine N-Acetylglutamine 176211 86378 39696 175443 57173 78615 N-Tetradecanoyl-DL-homoserine lactone 3375405 14208081 636443 32847088 20079976 15486609 Oleamide Oleamide 3399724 2550553 2979370 1030018 3841051 547997 O-Methyl-L-threonine 244334 254562 1563319 190060 4388100 67358 Ornithine Ornithine 346887 207485 1674765 606829 480819 374366 Palatinose Palatinose 66462 2739.1000 594345 2739.1000 2739.1000 2739.1000 Pantothenic acid Pantothenic acid 2396932 4023064 3975954 6651222 3611898 4571666 p-Coumaric acid cis-p-Coumaric acid 140114 655.3800 6554 655.3800 12344897 143416 Pelargonidin Pelargonidin 6798 679.7900 679.7900 679.7900 4578255 679.7900 Phe-Arg Phe-Arg 41764 134159 142653 389876 81892 187887 Phe-Lys Phe-Lys 569.7700 68426 5698 9692 10460 48440 Phenylacetaldehyde Phenylacetaldehyde 336.6600 26358 26362 336.6600 336.6600 301289 Phenylacetaldehyde isomer a Phenylacetaldehyde 415.6700 197949 745283 33645 1837484 379724 Phenylacetaldehyde isomer b Phenylacetaldehyde 16327 7841766 36957568 96152 89502 18648580 Phenylalanine Phenylalanine 1152631 2659394 7627156 15639706 2514098 29380470 Phenylethanolamine B 114341 2754144 13264063 129207 115068 6603020 Pheophorbide a Pheophorbide a 4955.8400 5409880 4955.8400 49558 417906 4955.8400 Phloretin Phloretin 444954 1008.0900 1008.0900 1008.0900 1008.0900 1008.0900 Phytosphingosine Phytosphingosine 720895 406683 303596 170131 288108 2386504 Pipecolic acid Pipecolic acid 31415 22083280 3808309 625753 2313144 1115517 Pro-Glu Pro-Glu 3551.8700 237192 3551.8700 2079902 269969 508021 Pro-Leu-Lys Pro-Leu-Lys 34715 2650583 424897 1070624 424889 2397521 Proline Proline 1635795 7307320 75482824 22822598 7935434 4345232 Proline-hydroxyproline Pro-hydroxyPro 6401.5700 6401.5700 6401.5700 3294416 64016 6401.5700 Propanoic acid_ 2-(1H-benzimidazol-2-ylthio)-_ 2-[(5-bromo-2-hydroxyphenyl)methylene]hydrazide 4022.1200 556431 4022.1200 4022.1200 4022.1200 4022.1200 Propionylcarnitine CAR 3:0 5936 9672 67157 12850 48100 528.4500 Putrescine Putrescine 1371898 1121999 696143 6270151 5616848 7929368 Pyridoxal phosphate Pyridoxal 5'-phosphate 20251 581163 196327 419613 1301882 39043 Pyridoxamine Pyridoxamine 124622 123299 1249094 393056 139076 686738 Pyridoxine Pyridoxine 684258 79040 140023 131061 167153 525610 PyroGlu-Pro 21671 47553 1097543 234912 273074 529339 Pyroglutamic acid Pyroglutamic acid 2316189 15700197 8784131 20365190 14090480 111131704 Quercetin-3_7_3^_4^-tetramethyl ether 34157.5000 921501 34157.5000 34157.5000 34157.5000 34157.5000 (R)-Butyrylcarnitine CAR 4:0 10255 4739 126794 24030 7692 473.8600 Retinoic acid Retinoic acid 13889 121029 7091 31562 74904 134856 roseoside 34646 1016517 4878 6253 122907 76796 S-Adenosyl-homocysteine S-Adenosylhomocysteine 10993 585280 194100 262162 281408 32028 S-Adenosyl-L-methionine S-Adenosylmethionine 118477 959586 132369 1034918 2625946 4789372 S-Allyl-L-Cysteine S-Allylcysteine 19842.5800 372385 7910310 19842.5800 19842.5800 19842.5800 (S)-(-)-.alpha.-Methylbenzylamine 65009 115398 1762455 131332 227729 5167032 Sedanolide 33021 73894 40789 12905723 271364 194964 Ser-Arg Ser-Arg 104363 248976 27046 1257910 252533 81437 Serine Serine 1330200 3258139 4228398 10280822 10666770 3239495 Shikimic acid Shikimic acid 89996 33786 6184176 72890 143578 66868 Sinapyl alcohol Sinapyl alcohol 1555.7900 134412 1555.7900 3097334 5188 27983 S-Methyl-L-cysteine Methylcysteine 445.7400 445.7400 983852 4457 445.7400 445.7400 Stachyose Stachyose 499671 340643 84778 5564 556.4200 556.4200 Stearidonic acid Stearidonic acid 10842 2217662 23206 604188 84559 497351 Sucrose Sucrose 95632564 16831041 103153401 114935351 97202952 16360415.0700 Swainsonine 3800 282651 948089 12190 107450 62155 Targinine Targinine 1151865 3386735 82186368 11584470 1402560 15075698 Tetradonium 279218 1029255 318141 652440 632758 316177 Thiamine Thiamine 550523 1398916 9982411 9348726 885071 2215089 Thr-Ala Thr-Ala 359250 99084 118870 239701 649398 1458038 Thr-Arg Thr-Arg 140708 268080 101345 1428666 590452 92091 Threonine Threonine 657504 3503770 5495604 23636504 10182594 5841830 Thymol Thymol 99559 66466 53283 1000722 197880 157317 Tiliroside 52702.3200 52702.3200 52702.3200 52702.3200 527023 52702.3200 trans-3_5-Dimethoxy-4-hydroxycinnamaldehyde Sinapoyl aldehyde 2919.5900 2919.5900 2919.5900 552406 2919.5900 2919.5900 trans-4-Hydroxy-L-proline trans-4-Hydroxyproline 301749 121478 332075 56739 651571 43887 trans-Ferulic acid trans-Ferulic acid 8486 735491 4380 3439 343.9300 343.9300 trans-Traumatic acid Traumatic acid 1077.8200 758396 1077.8200 10778 1077.8200 28710 Tributylamine Tributylamine 248480 646422 11688 135135 239894 259647 Triethanolamine Triethanolamine 990174 1135246 1946439 1010450 10658226 3358923 Tri(ethylene glycol) monoethyl ether 551000 683512 368931 632874 521761 416199 Triethyl phosphate Triethyl phosphate 2672858 1886631 358545 2355982 2076392 1338626 Tripropylamine 26369 540316 6932 21151 51114 35063 Tris(hydroxymethyl)aminomethane 2-Amino-2-methylol-propane-1,3-diol 829336 682082 284691 212669 1202204 266514 Tryptamine Tryptamine 816.6500 12985 816.6500 816.6500 8166 7286339 Tryptophan Tryptophan 178461 596007 2446191 4475166 4323285 5683144 Tyr-Lys Tyr-Lys 9008 6609 660.9100 21131 660.9100 660.9100 Tyrosine Tyrosine 16404 306562 655711 954537 272464 360938 Uracil Uracil 290244 305566 198296 992741 190971 1143511 Uridine Uridine 239795 1988.4400 167174 526255 101013 1666398 Uridine 5^-monophosphate UMP 1856.6600 1048922 14286.5100 175494 244660 1381996 Val-Arg Val-Arg 232813 513184 722762 1006996 512627 312277 Valerenic acid 9035 32633 5226 442.7900 725247 4428 Val-Gln Val-Gln 20462 131684 38745 838972 344311 2046.2100 Val-Lys Val-Lys 38469 1802190 531573 190636 786600 8104902