Validation Log 2025-12-15 02:22:11.163889 mwtab Python Library Version: 2.0.0 Source: https://www.metabolomicsworkbench.org/rest/study/analysis_id/AN005592/mwtab/txt Study ID: ST003408 Analysis ID: AN005592 File format: txt Status: Contains Validation Issues Number of Issues: 9 Number of Warnings: 7 Number of Value Errors: 9 Number of Consistency Errors: 0 Number of Format Errors: 0 Issue Log: Error: The value, "0.5mL/Min", for the subsection, "FLOW_RATE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['mL/min', 'uL/min', 'μL/min']. Ignore this when more complicated descriptions are required. Error: The value, "55", for the subsection, "COLUMN_TEMPERATURE", in the "CHROMATOGRAPHY" section should be a number or range (ex. "5-6") followed by a space with a unit (ex. "5 V") from the following list: ['°C', 'C']. Ignore this when more complicated descriptions are required. Warning: The "mz" column at position 6 in the METABOLITES table, matches a standard column name, "moverz_quant". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "InChiKey_14" column at position 3 in the METABOLITES table, matches a standard column name, "inchi_key". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "InChiKey_14" column at position 3 in the METABOLITES table, matches a standard column name, "inchi_key", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 0 FDGQSTZJBFJUBT 9 KCCAZFOVTBAVFU 20 VPMJARGRZMWLRX 37 DBPWSSGDRRHUNT 38 HESFZGWRDUVOMS 44 GFYLSDSUCHVORB 45 RFLVMTUMFYRZCB 46 XHBSBNYEHDQRCP 47 UTAIYTHAJQNQDW 48 JDHILDINMRGULE 51 RQEUFEKYXDPUSK 55 FEKMFSGDBKSRNR 56 GANSPRKOWQQXPE 66 GSNUFIFRDBKVIE 68 YQBCNQXCTHWJOK 80 HEQOJEGTZCTHCF 81 FUOOLUPWFVMBKG 84 XPFVYQJUAUNWIW 85 KSPQDMRTZZYQLM 86 UAGWYTNTGQGUQN 87 JUAQYRSUSCWTQK 89 DILDHNKDVHLEQB 90 YXIWHUQXZSMYRE 91 YAXFVDUJDAQPTJ 93 VHHVNQCXHWHJGF 98 NZKKXAGORRATJB 100 HQZQOJTXTXQLPE 102 LOSHAHDSFZXVCT 103 HNXMRPDBOJFZES 104 ZGUNAGUHMKGQNY 105 XUWHAWMETYGRKB 106 HNJBEVLQSNELDL 107 IAGPESOLVJAEAG 111 LQQZHLHCFSCJCU 121 HMLZLHKHNBLLJD 123 CJBDUOMQLFKVQC 127 RYDWGVPXXFYEQD 128 MRBKRZAPGUCWOS 129 YNOWULSFLVIUDH 130 NYZBWOSRZJKQAI 132 ZRQXMKMBBMNNQC 134 WJXSWCUQABXPFS 135 IAVREABSGIHHMO 136 UEFRDQSMQXDWTO 137 VCRSQDIROUELAR 138 CBBAYEUCTOLHMQ 141 IGLHHSKNBDXCEY 143 DWMWOUAIGKAJNF 144 OQYZCCKCJQWHIE 145 BDNWJTRKUBXAGH 148 JUUBCHWRXWPFFH 149 PFWQSHXPNKRLIV 150 HFCPFJNSBPQJDP 152 GMSNIKWWOQHZGF 153 BRMWTNUJHUMWMS 154 MVOYJPOZRLFTCP 156 WGLRJONCGNNMKL 157 ZKBXYYNCFKRKEJ 158 XHSURMJJKAFELI 162 HIAJCGFYHIANNA 167 HSMNQINEKMPTIC 168 TUHVEAJXIMEOSA 172 PPXQPRLGNSJNJM 173 NGSWKAQJJWESNS 174 ZMHLUFWWWPBTIU 175 KKADPXVIOXHVKN 178 BOTGCZBEERTTDQ 179 AXCXHFKZHDEKTP 180 CEVQXWMPODOBRM 184 XEIKLAKHCVSUMR 185 PXBZEVLDFAKFLV 189 BWHOZHOGCMHOBV 191 HXACOUQIXZGNBF 196 WUUGFSXJNOTRMR 199 POQOTWQIYYNXAT 209 DUUGKQCEGZLZNO 210 LDCYZAJDBXYCGN 212 ZJVOHJVSTORGLI 213 LRSASMSXMSNRBT 215 UPTAPIKFKZGAGM 218 WLJVNTCWHIRURA 222 MLRMPLSCFCMXGJ 223 UMLOUOBDBGOHHR 225 LUYISICIYVKBTA 230 MZUIODFZFFPDDR 232 FZWGECJQACGGTI 233 PFWLFWPASULGAN 234 UUPYXUVDNAZANT 236 GUAHPAJOXVYFON 237 MCJGNVYPOGVAJF 239 VHPXSVXJBWZORQ 240 GOOOCIIXFLVRAG 241 BFMZZSBHQOCQFQ 244 RZVAJINKPMORJF 245 WDJHALXBUFZDSR 246 ROWKJAVDOGWPAT 247 SQMGCPHFHQGPIF 249 GFFGJBXGBJISGV 250 OIRDTQYFTABQOQ 251 UJHDYVYBNDNRRQ 253 ALZVPLKYDKJKQU 254 JRLAQUJSYKXZFV 255 WNMJYKCGWZFFKR 257 GFXYTQPNNXGICT 259 HDTRYLNUVZCQOY 262 ZCNZVZVNVGHAHB 265 IMIDOCRTMDIQIJ 266 QCHFTSOMWOSFHM 267 CDLVFVFTRQPQFU 269 BBDAGFIXKZCXAH 270 DZRYOWIZOWQPCR 271 AEMFNILZOJDQLW 272 QGXBDMJGAMFCBF 273 VFUIRAVTUVCQTF 275 PAYRUJLWNCNPSJ 278 DCXYFEDJOCDNAF 279 JSJWCHRYRHKBBW 280 IAOZJIPTCAWIRG 281 UKGGPJNBONZZCM 282 YZQCXOFQZKCETR 284 VGPYEHKOIGNJKV 285 YDGMGEXADBMOMJ 293 IGNAXHREHPKOTL 295 HUMNYLRZRPPJDN 300 QNAYBMKLOCPYGJ 301 QNAYBMKLOCPYGJ 302 KWIUHFFTVRNATP 303 KZSNJWFQEVHDMF 304 MUNWAHDYFVYIKH 308 PYQSUTLVBSTCSK 311 OWYLAEYXIQKAOL 312 QWCRAEMEVRGPNT 313 ZIZLDVKLMYVMNX 314 MHYITDUVXNMMNZ 315 HQDBMDGXEZLSNK 317 RYYVLZVUVIJVGH 319 JBKVHLHDHHXQEQ 320 SAVLIIGUQOSOEP 324 IRUJZVNXZWPBMU 325 COAMNWKAJPDNHU 326 GVEZIHKRYBHEFX 327 RLGQACBPNDBWTB 328 ODHCTXKNWHHXJC 329 LRFVTYWOQMYALW 334 SGYJGGKDGBXCNY 335 JLSQXYITDXJTKL 337 OEYIOHPDSNJKLS 342 KAZLTNBVAYOUNF 343 ADDRECXFKLYOGC 344 YAADMLWHGMUGQL 348 KRKNYBCHXYNGOX 349 RHGKLRLOHDJJDR 350 VNRXNRZJIHCXSW 355 HZZVJAQRINQKSD 362 JMFRWRFFLBVWSI 364 OMFXVFTZEKFJBZ 366 JOVLCJDINAUYJW 367 MFYSYFVPBJMHGN 368 OKNSFVSKHQJVRN 370 CVSVTCORWBXHQV 371 BGJFEKXALPJEGN 373 PANKHBYNKQNAHN 374 VMYXUZSZMNBRCN 378 IVOMOUWHDPKRLL 387 OPTASPLRGRRNAP 389 GDQXJMLXEYSICD 392 UYUXSRADSPPKRZ 393 FBPFZTCFMRRESA 394 ATUYSKUVHUPXBV 396 LZOSYCMHQXPBFU 397 SBJKKFFYIZUCET 399 FMGSKLZLMKYGDP 403 CKTSBUTUHBMZGZ 404 BFYOGFPGIVIQCC 406 DFQGKQCNOQAMHG 407 VEVRNHHLCPGNDU 408 ZESRJSPZRDMNHY 411 YUXIBTJKHLUKBD 412 DJWYOLJPSHDSAL 417 FBWIRBFZWNIGJC 418 HSPYGHDTVQJUDE 420 IJVCSMSMFSCRME 422 NVKAWKQGWWIWPM 423 OIVLITBTBDPEFK 424 ZPTBLXKRQACLCR 431 VJPIDPQNAYWULC 432 NZKRYJGNYPYXJZ 436 PHMBVCPLDPDESM 437 ZQSIJRDFPHDXIC 438 WQXNXVUDBPYKBA 441 HVDGDHBAMCBBLR 443 UCTWMZQNUQWSLP 444 MUMGGOZAMZWBJJ 448 VOXZDWNPVJITMN 449 PROQIPRRNZUXQM 451 FQYGGFDZJFIDPU 452 DNXHEGUUPJUMQT 453 CHNXZKVNWQUJIB 455 HAPOVYFOVVWLRS 457 WYUFTYLVLQZQNH 458 NUVBSKCKDOMJSU 460 IBVFUNAQXWFZQB 461 GBANFZMBHZDAOG 466 NIHNNTQXNPWCJQ 467 GNBHRKFJIUUOQI 469 SHZGCJCMOBCMKK 477 OWGKYELXGFKIHH 480 ZRHONLCTYUYMIQ 488 JRIOKBXQMHEJOZ 489 WHUUTDBJXJRKMK 491 VZXPDPZARILFQX 494 RFDAIACWWDREDC 496 KZNQNBZMBZJQJO 497 SZEOBSAZWJLOGY 499 HSRJKNPTNIJEKV 500 DKXXSIJHWWVNMO 501 BPMFZUMJYQTVII 502 GTVMGUBGOSWMOJ 506 VVPRQWTYSNDTEA 507 UPCKIPHSXMXJOX 509 QIAFMBKCNZACKA 510 LYCVKHSJGDMDLM 512 XIGSAGMEBXLVJJ 516 WJRBRSLFGCUECM 517 XMIIGOLPHOKFCH 520 RBFMZJMSICTYCA 521 JVGVDSSUAVXRDY 525 OBHRVMZSZIDDEK 526 HEFNNWSXXWATRW 527 FSASIHFSFGAIJM 528 GUBGYTABKSRVRQ 529 JEJNWEREQWMOHB 530 ACZFBYCNAVEFLC 531 VPRAQYXPZIFIOH 532 LOCAIGRSOJUCTB 534 SIKJAQJRHWYJAI 538 OLNJUISKUQQNIM 539 GOLXRNDWAUTYKT 541 DVJIJAYHBZALOJ 542 PLVPPLCLBIEYEA 543 XGILAAMKEQUXLS 545 NTAFJUSDNOSFFY 547 RGXCTRIQQODGIZ 548 HOQADATXFBOEGG 550 BBIXOODYWPFNDT 551 UUOCODHGILANAP 553 PVXPPJIGRGXGCY 555 AWJUIBRHMBBTKR 557 HCZHHEIFKROPDY 559 XCHBYBKNFIOSBB 562 PHIQHXFUZVPYII 564 DLRVVLDZNNYCBX 568 VTJUNIYRYIAIHF 569 RDHQFKQIGNGIED 570 QLTCHMYAEJEXBT 571 OJMMVQQUTAEWLP 572 HNDVDQJCIGZPNO 573 SILQDLDAWPQMEL 574 CXTATJFJDMJMIY 575 JCCNYMKQOSZNPW 576 WEWBWVMTOYUPHH 579 HAEVNYBCYZZDFL 580 PCZOHLXUXFIOCF 581 KDXKERNSBIXSRK 582 AOHCBEAZXHZMOR 583 RLSSMJSEOOYNOY 585 KXQRAPMNPUXYGT 586 MNBBBIJBVPWYSD 588 HXNFUBHNUDHIGC 590 YSGFBXZSDXVSLM 593 FWYSBEAFFPBAQU 595 FBPFZTCFMRRESA 598 RQZAXGRLVPAYTJ 599 NPPQSCRMBWNHMW 601 ZQEIXNIJLIKNTD 602 GUBGYTABKSRVRQ 603 GYEWKSZSKYZTOR 604 FWJKNZONDWOGMI 605 FFEARJCKVFRZRR 609 LXCFILQKKLGQFO 611 DDLIGBOFAVUZHB 612 QKJJCZYFXJCKRX 613 OBBCSXFCDPPXOL 615 HCWNFKHKKHNSSL 616 BMLIZLVNXIYGCK 617 TXXHDPDFNKHHGW 618 ZZIKIHCNFWXKDY 624 JGFZNNIVVJXRND 626 OAUYENAPBFTAQT 629 FQKKPLXFGDCBJT 634 ZFBRJUBOJXNIQM 635 BKAYIFDRRZZKNF 637 RSPURTUNRHNVGF 638 FTTGAAZKBNZDCZ 639 NIDVTARKFBZMOT 640 MXNRLFUSFKVQSK 644 FONIWJIDLJEJTL 645 VWPOSFSPZNDTMJ 646 URNSECGXFRDEDC 647 OFSAJYZMIPNPHE 648 OVRNDRQMDRJTHS 651 RFMMMVDNIPUKGG 652 KSMRODHGGIIXDV 653 WXNXCEHXYPACJF 655 CAHKINHBCWCHCF 656 CBQJSKKFNMDLON 658 JJGNMSOJTSABGA 659 GNMSLDIYJOSUSW 661 UKDKTHYZLXZOSS 666 ZDOZSBZNKAKLAE 669 BDCRTIDKZGEVEN 670 IXOXBSCIXZEQEQ 673 CLGNQAIRBLDHIN 674 NSTPXGARCQOSAU 676 CLJGMBYGTHRUNF 677 BMQYVXCPAOLZOK 678 KRGPXXHMOXVMMM 679 ZBSGKPYXQINNGF 680 CRXJVFIHZPTDKA 681 VDQMVRFHUYAKJL 682 WRWGCPXFAJKWDW 683 HYIMSNHJOBLJNT 685 PVHUJELLJLJGLN 686 RCFKQVLHWYOSFF 687 PQBAWAQIRZIWIV 688 NCIKQJBVUNUXLW 689 MPSPNFAQQQMFLK 690 CVJMZWLHUCMEKO 691 JTJZAUVWVBUZAU 692 PTSRBZOZSRJCKX 694 HYBBIBNJHNGZAN 696 LRQKBLKVPFOOQJ 697 ROHFNLRQFUQHCH 700 JLQSXXWTCJPCBC 701 BSVHAXJKBCWVDA 704 VDPCTFWULDLKHT 707 VSZGPKBBMSAYNT 710 TVDPVFPVOHCHQM 711 UWVQIROCRJWDKL 712 JYGFTBXVXVMTGB 716 VTYFITADLSVOAS 718 GUBGYTABKSRVRQ 720 GHOKWGTUZJEAQD 721 IGTYILLPRJOVFY 725 IWDCLRJOBJJRNH 726 VTXNIAJKDLEHGX 729 KJDLCCSAVYUQIT 730 KJDLCCSAVYUQIT 732 ZVZLNUBJFZVVLC 736 GYYOKOIBHIWNHE 737 WEXRUCMBJFQVBZ 738 VIROVYVQCGLCII 742 JFLIEFSWGNOPJJ 743 COLNVLDHVKWLRT 745 WEQJQNWXCSUVMA 747 DGTNSSLYPYDJGL 748 BNEBXEZRBLYBCZ 752 LGRFSURHDFAFJT 756 NTBUXPPQHCFLOM 760 NQRYJNQNLNOLGT 761 YSTPAHQEHQSRJD 762 YMMNFUJNCOWQRX 763 QSHWIQZFGQKFMA 766 AYXYPKUFHZROOJ 768 AURFZBICLPNKBZ 769 AURFZBICLPNKBZ 770 ORNBQBCIOKFOEO 771 DQMZLTXERSFNPB 772 ONIBWKKTOPOVIA 773 CMUNUTVVOOHQPW 774 ONPXCLZMBSJLSP 775 UFAHZIUFPNSHSL 780 LOIYMIARKYCTBW 781 UTCZIVYBWSBCEV 785 YCIMNLLNPGFGHC 786 GHMLBKRAJCXXBS 788 QIGBRXMKCJKVMJ 789 ODHCTXKNWHHXJC 790 XRJLAOUDSILTFT 793 GJAWHXHKYYXBSV 795 TYWXNGXVSZRXNA 798 QWSAYEBSTMCFKY 802 AUNGANRZJHBGPY 803 LMGKXMPKANQKTB 806 BUZRENAZMZDBDP 807 ONJSZLXSECQROL 808 OEPADIDIUZTYOX 809 OYSGWKOGUVOGFQ 811 RODXRVNMMDRFIK 813 UPJFTVFLSIQQAV 815 MTCFGRXMJLQNBG 816 SSJMZMUVNKEENT 819 AFQXBFSUWNVPRZ 824 OMXXOMUNJWASGK 825 HXATVKDSYDWTCX 826 VKGZCEJTCKHMRL 827 SIBQAECNSSQUOD 830 DLRVVLDZNNYCBX 831 IWDUZEHNLHFBRZ 833 XSOLDPYUICCHJX 835 VCMJCVGFSROFHV 836 KMUJXIPRPXRPTP 838 NIKZPECGCSUSBV 839 HQHCYKULIHKCEB 840 CGIURIOFMWUPSV 841 SYGWGHVTLUBCEM 842 CYKYBWRSLLXBOW 844 YAPQBXQYLJRXSA 846 OPASCBHCTNRLRM 847 NODSEPOUFZPJEQ 848 WURBQCVBQNMUQT 850 GYDJEQRTZSCIOI 851 JEOZLTJHDSKQIT 854 INMKWUNQKOWGEZ 855 OFCNXPDARWKPPY 858 WWNNZCOKKKDOPX 859 WYUFTYLVLQZQNH 860 UKDJCWUSWYBRDM 861 BPXVHIRIPLPOPT 863 QIVBCDIJIAJPQS 864 CPXSBHKDEPPWIX 867 DZGWFCGJZKJUFP 868 OUYCCCASQSFEME 869 YCCILVSKPBXVIP 872 ORHBXUUXSCNDEV 874 LEHOTFFKMJEONL 875 DRTQHJPVMGBUCF 876 CKLJMWTZIZZHCS 877 PTJWIQPHWPFNBW 878 KDCCOOGTVSRCHX 879 WPVFJKSGQUFQAP 880 IMOKOCYUKGZZAG 883 YBJHBAHKTGYVGT 884 MWOOGOJBHIARFG 887 LOODYTDRRBLQNH 889 JRCWYCAEAZEYNW 892 UBORTCNDUKBEOP 893 FBZONXHGGPHHIY 899 WREGKURFCTUGRC Warning: The "Formula" column at position 4 in the METABOLITES table, matches a standard column name, "formula", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 6 C15 H21 N O8 7 C10 H19 N O4 8 C32 H51 N O12 10 C12 H23 N O4 11 C26 H41 N O5 12 C15 H27 N O4 14 C14 H23 N O11 18 C7 H13 N O 19 C13 H13 N O 33 C31 H45 N O6 S 42 C26 H41 N O5 52 C5 H11 As O8 57 C10 H9 N O5 59 C7 H9 N O4 63 C9 H11 N O6 S 65 C8 H5 N O2 72 C11 H17 N O8 73 C15 H15 N O8 74 C7 H11 N O6 S 82 C8 H9 N O 83 C4 H9 N O2 84 C6 H7 N O4 87 C7 H7 N O4 88 C9 H15 N O3 89 C13 H23 N O4 90 C10 H9 N O3 94 C7 H5 N S2 96 C15 H19 N O9 97 C9 H11 N O6 S 100 C10 H11 N O3 103 C11 H19 N O3 104 C15 H27 N O4 105 C10 H17 N O3 106 C8 H9 N O2 107 C5 H9 N O 108 C4 H7 N O 116 C21 H37 N O4 124 C6 H11 N O5 S2 126 C13 H17 N O4 129 C10 H9 N O4 130 C7 H7 N O3 132 C7 H13 N O3 134 C9 H9 N O2 135 C21 H37 N O5 136 C7 H7 N O3 138 C11 H21 N O5 139 C17 H33 N O5 140 C23 H41 N O5 141 C13 H25 N O5 142 C9 H9 N O4 143 C12 H23 N O5 145 C15 H29 N O5 147 C15 H15 N O8 151 C7 H11 N O3 152 C13 H23 N O6 158 C10 H17 N O3 160 C10 H9 N O3 161 C11 H13 N O3 165 C9 H7 N O2 166 C6 H11 N O3 167 C14 H17 N O8 174 C17 H21 N O2 176 C9 H9 N O4 183 C7 H5 N O7 184 C12 H23 N O9 188 C14 H25 N O4 192 C5 H9 N O 193 C8 H9 N O4 204 C13 H23 N O9 207 C32 H51 N O12 208 C15 H17 N O8 210 C8 H15 N O4 211 C10 H9 N O3 217 C14 H21 N O8 223 C15 H17 N O8 231 C10 H7 N O4 233 C11 H21 N O4 S 236 C10 H17 N O3 237 C9 H17 N O3 240 C9 H7 N O 241 C16 H12 N2 O S2 242 C17 H31 N O4 245 C14 H25 N O8 246 C8 H9 N O2 249 C25 H41 N O9 253 C8 H13 N O5 254 C10 H11 N O3 255 C8 H11 N O4 260 C6 H11 N O3 268 C4 H9 N O2 269 C8 H17 N O2 279 C24 H33 N O8 282 C4 H7 N O4 291 C16 H13 N O6 296 C19 H35 N O5 301 C3 H7 N O2 304 C5 H11 N O2 305 C7 H13 N O3 310 C14 H17 N O8 315 C17 H25 N O4 317 C11 H19 N O4 321 C6 H11 N O 322 C10 H19 N O3 330 C12 H17 N O3 332 C10 H11 N O4 337 C18 H15 Cl O7 339 C5 H13 N O 342 C12 H11 N O2 S 344 C19 H29 N O4 345 C19 H31 N O5 346 C11 H11 N O3 357 C8 H9 N O5 358 C13 H21 N O4 365 C18 H27 N O4 394 C7 H11 N O4 S 398 C3 H7 N O2 399 C17 H33 N O4 420 C7 H15 N O2 S 422 C17 H21 N O3 430 C12 H10 O S 431 C8 H17 N O2 433 C19 H35 N O6 434 C8 H11 N O5 S 435 C8 H11 N O5 S 436 C14 H19 N O8 438 C13 H19 N O4 439 C9 H15 N O3 445 C9 H13 N O3 449 C9 H11 N O3 457 C7 H11 N O2 472 C16 H15 N O7 474 C23 H29 N O7 480 C4 H9 N O2 489 C13 H17 N O4 S 490 C6 H11 N O6 491 C5 H9 N O4 493 C12 H21 N O6 494 C26 H43 N O8 S 495 C26 H43 N O8 S 496 C32 H51 N O11 497 C26 H43 N O6 508 C13 H25 N O4 509 C8 H15 N O3 510 C8 H9 N O6 S 511 C9 H9 N O3 513 C15 H19 N O9 515 C20 H29 N O6 523 C12 H23 N O5 530 C9 H8 Cl N5 O2 535 C8 H5 N O 537 C10 H9 N O2 538 C16 H17 N O8 540 C9 H7 N O 541 C11 H11 N O2 544 C11 H9 N O2 545 C11 H11 N O3 546 C14 H15 N O7 548 C19 H29 N O6 550 C15 H24 N O4 P S 551 C11 H19 N O6 559 C7 H13 N O3 562 C10 H7 N O3 566 C3 H7 N O2 567 C7 H15 N O3 569 C6 H13 N O2 575 C10 H17 N O6 578 C15 H29 N O4 579 C22 H23 Cl N2 O2 580 C11 H19 N O6 589 C26 H41 N O4 590 C8 H9 N O2 604 C15 H21 N O4 607 C5 H11 N O2 S 608 C6 H11 N O3 613 C18 H13 Cl F N3 618 C9 H11 Cl N2 O 620 C21 H39 N O6 621 C26 H41 N O3 624 C15 H25 N O4 625 C15 H25 N O4 626 C13 H15 N O9 627 C13 H15 N O9 629 C9 H15 N O6 632 C11 H21 N O4 635 C11 H15 N O10 640 C8 H13 N O5 641 C12 H21 N O3 647 C10 H19 N O3 649 C19 H31 N O7 650 C10 H13 N O3 651 C8 H15 N O6 652 C8 H17 N O6 653 C7 H11 N O5 656 C8 H15 N O3 658 C11 H13 N O4 659 C11 H19 N O9 660 C11 H13 N O3 661 C7 H11 N O3 662 C8 H13 N O3 S 664 C12 H15 N O5 665 C17 H27 N O4 668 C8 H7 N O2 673 C21 H29 N O5 674 C12 H13 N O3 675 C12 H17 N O5 677 C36 H31 N O11 680 C12 H13 N O5 681 C10 H11 N O3 682 C12 H15 N O7 686 C14 H15 N O5 687 C6 H13 N O 688 C6 H13 N O 691 C5 H9 N O4 694 C4 H9 N O2 695 C16 H31 N O4 696 C8 H11 N O6 S 698 C6 H13 N O2 699 C13 H15 N O5 702 C9 H17 N O4 703 C5 H9 N O4 704 C13 H23 N O6 707 C15 H27 N O4 709 C14 H27 N O4 714 C8 H7 N O 716 C5 H7 N O3 719 C12 H15 N O4 722 C9 H17 N O5 723 C8 H9 N O5 S 731 C26 H41 N O4 732 C26 H41 N O4 738 C10 H21 N O2 S 746 C9 H11 N O2 749 C7 H5 N O 756 C17 H27 N O5 759 C14 H25 N O6 761 C6 H11 N O2 768 C8 H17 N O2 774 C5 H9 N O2 775 C7 H13 N O2 777 C10 H19 N O4 785 C8 H9 N O4 786 C10 H5 N O3 790 C5 H7 N O3 791 C11 H11 N O 793 C24 H31 N O9 794 C9 H7 N O2 795 C7 H5 N O4 796 C11 H9 N O4 807 C12 H23 N O2 S 809 C9 H9 N O4 810 C15 H17 N O10 811 C16 H19 N O3 814 C17 H31 N O6 816 S Se 817 C3 H7 N O3 820 C21 H39 N O6 821 C10 H19 N O4 824 C13 H23 N O9 826 C15 H27 N O6 827 C10 H17 N O5 829 C11 H19 N O6 833 C10 H10 F N3 S 835 C26 H45 N O7 S 848 C6 H15 O2 P S3 850 C12 H21 N O4 851 C21 H27 N O7 852 C8 H15 N O2 853 C19 H35 N O4 860 C26 H39 N O4 861 C7 H7 N O2 862 C8 H17 N O2 S 868 C19 H33 N O4 869 C8 H11 N O 870 C9 H11 N O3 881 C7 H13 N O3 883 C5 H11 N O2 889 C10 H11 N O5 891 C12 H17 N O7 896 C10 H7 N O4 Warning: The "RefMet" column at position 2 in the METABOLITES table, matches a standard column name, "refmet", and some of the values in the column do not match the expected type or format for that column. The non-matching values are: 0 Limonene 12 CAR 8:1(2) 16 12-Oxo-9Z-dodecenoic acid 23 1,3,7-Trimethyluric acid 27 1,7-Dimethyluric acid 32 11-Oxo-androsterone glucuronide 34 12-Oxo-ETE 39 16alpha-Hydroxypregnenolone 40 17alpha-Hydroxyprogesterone 41 18-Hydroxycortisol 43 1'-Acetoxyeugenol acetate 46 1-Methyladenosine 47 1-Methylguanine 48 1-Methylguanosine 49 1-Methylhistidine 50 1-Methyluric acid 51 1-Methylxanthine 60 2,3-Diaminosalicylic acid 66 2,4-Diacetamido-2,4,6-trideoxy-alpha-mannose 68 2,5-Dimethylfuran 69 2,6-Dihydroxypseudooxynicotine 72 N-Acetyl-2,7-anhydro-alpha-neuraminic acid 79 21-Hydroxypregnenolone 82 2-Aminoacetophenone 83 Aminoisobutyric acid 84 2-Aminomuconic acid 85 2-Furancarboxaldehyde 86 2-Furanmethanol 89 CAR 6:1 92 2-Hydroxyestradiol 93 2-Hydroxyfelbamate 95 2-Methoxy-4-vinylphenol 96 2-Methoxyacetaminophen glucuronide 97 2-Methoxyacetaminophen sulfate 98 2-Methoxy-estradiol-17beta 3-glucuronide 100 2-Methylhippuric acid 104 CAR 8:1(2) 106 2-Phenylglycine 107 2-Piperidinone 108 2-Pyrrolidinone 111 3-(2-Hydroxyphenyl)propanoic acid 116 CAR 14:2(3,5) 118 3,4-Dihydroxybenzeneacetic acid 123 3,7-Dimethyluric acid 129 3-Amino-4,7-dihydroxy-8-methylcoumarin 130 3-Amino-4-hydroxybenzoic acid 131 3beta-Hydroxy-5-cholenoic acid 132 3-Dehydrocarnitine 136 3-Hydroxyanthranilic acid 137 3-Hydroxybenzaldehyde 138 CAR 4:0;3OH 139 CAR 10:0;3OH 140 CAR 16:2;OH 141 CAR 6:0;3OH 142 3-Hydroxyhippuric acid 143 CAR 4:0;OH,Me 145 CAR 8:0;3OH 146 3-Hydroxysebacic acid 150 3-Methyladenine 151 3-Methylcrotonylglycine 152 CAR DC5:0;3Me 153 3-Methylguanine 154 3-Methylhistidine 156 3-Methylxanthine 161 3-Phenylpropionylglycine 165 4,6-Dihydroxyquinoline 166 4-Acetamidobutanoic acid 167 p-Acetamidophenylglucuronide 169 4-Aminohippuric acid 170 4-Guanidinobutanoic acid 173 4-Hydroxyandrostenedione glucuronide 175 cis-p-Coumaric acid 176 4-Hydroxyhippuric acid 177 4-Hydroxyphenylpyruvic acid 182 4-Methylene-glutamine 190 Allyl acetic acid 193 4-Pyridoxic acid 200 5-Acetylamino-6-amino-3-methyluracil 203 5alpha-Tetrahydrocorticosterone 206 5-Hydroxy-2-furoic acid 211 5-Hydroxyindoleacetic acid 212 5-Hydroxy-tryptophan 215 5-Methylcytosine 216 5'-Methylthioadenosine 219 6beta-Hydroxycortisol 221 Pimelic acid 224 6-Hydroxypseudooxynicotine 227 6-Methylquinoline 232 7-Ketodeoxycholic acid 234 7-Methylguanine 235 7-Methylxanthine 237 8-Amino-7-oxononanoic acid 238 8-Hydroxy-7-methylguanine 240 Quinolin-8-ol 242 CAR 10:1(9) 246 Acetaminophen 247 Acetoacetic acid 248 Acetoin 251 Adenine 252 Adenosine 256 Ala-Tyr 257 Aldosterone 18-glucuronide 259 Allopurinol 260 Allysine 262 alpha-Ribazole 263 alpha-Santonin 268 3-Aminoisobutanoic acid 272 Ancitabine 273 Androstenedione 274 Androsterone 275 Androsterone 3-glucuronide 276 Aniline 280 Asparagine 281 Aspartame 282 Aspartic acid 283 Asp-Pro 284 Asp-Phe 287 Dimethylarginine 297 Benzaldehyde 298 Benzyl 2-methyl-3-oxobutanoate 301 beta-Alanine 303 beta-Cyclocitral 304 Betaine 305 Betonicine 306 Biotin 307 Bis(2-ethylhexyl)phthalate 316 Buspirone 317 CAR 4:1 319 Caffeine 321 Epsilon-caprolactam 323 Carboxyibuprofen 325 Carglumic acid 326 Cartap 329 Cellobiose 330 Cerulenin 335 Chenodeoxycholic acid 3-sulfate 337 Chlorflavonin 338 Cholic acid glucuronide 339 Choline 346 Cinnamoylglycine 347 cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene 349 4Z-Decenedioic acid 350 Citric acid 351 Citrulline 357 Clavulanate 359 Ubiquinone-1 364 Coniferyl alcohol 366 Corticosterone 368 Cortisol 21-sulfate 369 Cortisone 370 Cortolone-3-glucuronide 372 Creatine 374 Creatinine 375 Crocetin 380 3',5' cyclic AMP 387 Cyclo(Ile-Leu) 390 Cyclo(Pro-Val) 392 Cytosine 395 Daidzein 397 Daidzein 7-O-glucuronide 398 D-Alanine 399 CAR 10:0 400 L-Dehydroascorbic acid 401 Dehydroepiandrosterone 403 Dehydroepiandrosterone sulfate 404 DGVA 405 Deoxycytidine 409 Desmosine 410 11-Deoxycorticosterone 412 Glucuronolactone 419 Diethyl phthalate 420 Dihomomethionine 421 Dihydroferulic acid 423 Dihydrophaseic acid 424 5alpha-Dihydrotesosterone 425 Dihydrouracil 426 5,6-Dihydrouridine 429 Dimethyl maleate 431 2-Aminocaprylic acid 433 CAR DC12:0 435 Dopamine 4-sulfate 439 Ecgonine 440 Ectoine 443 Enterolactone 445 Epinephrine 446 Epitestosterone 450 beta-Estradiol 451 Estriol 452 16alpha,17beta-Estriol 16-(beta-D-glucuronide) 454 Estriol-3-glucuronide 455 Estrone 457 Ethosuximide 460 Ethylparaben 462 Androsterone 3-glucuronide 468 Fluorene 469 Fluorescein 471 Fucose 479 Galactosylhydroxylysine 480 gamma-Aminobutyric acid 481 gamma-CEHC 482 gamma-Glutamylglutamic acid 483 gamma-Glutamylisoleucine 485 Geranyl acetate 487 Gibberellin A4 488 Gibberellin A8-catabolite 491 Glutamic acid 492 Glu-Asp 494 Glycochenodeoxycholic acid 3-sulfate 495 Glycochenodeoxycholic acid 7-sulfate 496 Glycochenodeoxycholic acid 3-glucuronide 497 Glycocholic acid 498 Gly-Pro 502 Guaifenesin 503 Guanidoacetic acid 508 CAR 6:0 511 Hippuric acid 512 His-Gly 514 Homocitrulline 516 Homoveratric acid 518 Hydantoin 519 Hydrocinnamic acid 521 Hydrocortisone caproate 522 Hydroquinone 523 CAR 4:0;OH,Me 525 Hydroxyphenyllactic acid 528 Hypoxanthine 529 Ibuprofen 532 Imidazolelactic acid 536 Indole 537 Indoleacetic acid 540 1H-Indole-3-carboxaldehyde 541 3-Indolepropionic acid 543 Indoleacetyl glutamine 544 Indoleacrylic acid 545 Indolelactic acid 546 Inodxyl glucuronide 550 Isofenphos 552 Ile-Pro 553 Isomaltose 556 3beta-Hydroxy-5alpha-pregnan-20-one 558 Isoquinoline 559 Isovalerylglycine 561 Mesobilirubinogen 562 Kynurenic acid 564 Lactose 566 Alanine 567 Carnitine 568 Lenticin 569 Leucine 571 Leu-Pro 572 gamma-Glutamylvaline 573 Gln-Lys 574 Histidine 575 Linamarin 577 Indospicine 578 CAR 8:0 579 Loratadine 580 Lotaustralin 581 Lovastatin 582 Pro-Leu 584 Lysine 588 Maltose 596 Mannitol 600 m-Cresol 601 Megestrol 602 Melibiose 603 Meprobamate 604 Metalaxyl 606 Metharbital 607 Methionine 610 Methylimidazoleacetic acid 611 Methylparaben 613 Midazolam 616 Mono-(2-ethyl-5-carboxypentyl) phthalate 617 Mono (2-ethyl-5-oxohexyl) phthalate 618 Monuron 619 3-Hexenedioic acid 620 Myriocin 628 Acisoga 634 Dimethylarginine 637 N1,N12-Diacetylspermine 638 N1-Methyl-2-pyridone-5-carboxamide 639 N2,N2-Dimethylguanosine 640 N-Acetyl-2-aminoadipic acid 642 N4-Acetylcytidine 643 N-6-Trimethyllysine 644 N(6),N(6)-Dimethyladenosine 645 N6-Carbamoyl-L-threonyladenosine 646 N8-Acetylspermidine 648 N-Acetyl-Asp-Glu 650 N-Acetyldopamine 651 N-Acetylgalactosamine 652 N-Acetyl-glucosaminitol 653 N-Acetylglutamic acid 654 N-Acetylglutamine 655 N-Acetylcarnosine 656 N-Acetylleucine 658 N-Acetyltyrosine 659 N-Acetylneuraminic acid 660 N-Acetylphenylalanine 661 N-Acetyl-proline 663 N-Acetyl-tryptophan 664 N-Acetylvanilalanine 665 Nadolol 666 Pelargonidin 667 N(2)-Acetyllysine 675 N-D-Glucosylarylamine 679 Neopterin 680 N-Feruloylglycine 681 N-Formylphenylalanine 683 (R,S,S)-Nicotianamine 684 Nicotinuric acid 685 Nifedipine 689 Nitrendipine 691 N-Methyl-D-aspartic acid 692 N-Methylpyridinium 693 N-Methyltryptamine 695 CAR 9:0 696 Norepinephrine sulfate 698 Norleucine 699 N-Phenylacetylglutamic acid 701 7-Ketolithocholic acid 702 CAR 2:0 703 O-Acetylserine 704 CAR DC6:0 707 CAR 8:1 710 Ophthalmic acid 711 Oseltamivir 714 Indolin-2-one 716 Oxoproline 717 Oxypurinol 718 Palatinose 722 Pantothenic acid 723 Paracetamol sulfate 724 Paraxanthine 726 P-Cresol 728 Pentaethylene glycol 738 Pentahomomethionine 739 Pentobarbital 745 alpha-N-Phenylacetylglutamine 746 Phenylalanine 747 Phe-Pro 748 Phenylglyoxylic acid 755 p-Hydroxyfelbamate 758 Pilocarpine 759 CAR DC7:0 761 Pipecolic acid 762 Piperidine 766 Porphobilinogen 768 Pregabalin 769 Pregnan-21-al 771 Pregnenolone 774 Proline 775 Proline betaine 776 Pro-hydroxyPro 777 CAR 3:0 780 Pseudouridine 781 Angustmycin C 783 Pulcherriminic acid 788 Pyrocatechol 790 Pyroglutamic acid 792 Pyrraline 794 Quinoline-4,8-diol 795 Quinolinic acid 797 Ranunculin 800 Resorcinol 804 Riboflavin 809 Salicyluric acid 810 Salicyluric glucuronide 813 Scopoletin 817 Serine 818 Ser-Ala 822 Streptidine 6-phosphate 824 Streptobiosamine 827 Suberylglycine 828 Succinyladenosine 829 CAR DC4:0 830 Sucrose 832 Sumiki's acid 835 Taurohyocholic acid 838 Testolic acid 839 Testosterone acetate 840 Testosterone glucuronide 841 Tetradecanedioic acid 842 Tetrahydroaldosterone-3-glucuronide 843 Tetrahydrocortisone 844 Tetrahydrodeoxycorticosterone 845 Tetrahydrodeoxycortisol 847 Theobromine 848 Thiometon 849 Thymol sulfate 850 CAR 4:1;2Me 852 Tranexamic acid 853 CAR 12:1(2E) 854 trans-3-Hydroxycotinine glucuronide 855 trans-Carveol 857 Traumatin 859 Trehalose 861 Trigonelline 862 Trihomomethionine 865 Tryptophan 869 Tyramine 870 Tyrosine 871 Tyrosol 872 Ubiquinol-2 874 Umbelliferone 876 Ureidopropionic acid 877 Uric acid 878 Uridine 879 L-Urobilin 880 Urocanic acid 882 Valganciclovir 883 Valine 885 Val-Pro 887 Vanillactic acid 889 Vanilloylglycine 891 Volkenin 894 Xanthine 895 Xanthosine 896 Xanthurenic acid 900 Zalcitabine Warning: The "RT_sec" column at position 7 in the METABOLITES table, matches a standard column name, "retention_time". If this match was not in error, the column should be renamed to the standard name or a name that doesn't resemble the standard name. Warning: The "Adduct" column at position 8 in the METABOLITES table may have incorrect values. 90% or more of the values are the same, but 10% or less are different.