Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004341)

Reversed phase POSITIVE ION MODE (Analysis AN007250)

Metabolite	Structure	F1	F2	F3
(Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol	ME1199889	0.00	0.00	3.60
(Z)-Tamarindienal Esi+20.671001	ME1199888	0.00	0.00	3.60
Xestospongin C	ME1200763	0.00	0.00	3.60
Valyl-Lysine	ME1200759	0.00	0.00	3.60
Valyl-Alanine	ME1200758	0.00	0.00	3.60
Val Lys Trp	ME1200756	0.00	0.00	3.60
Valechlorin	ME1200757	0.00	0.00	3.60
Val Ala Gly Esi+10.822999	ME1200753	0.00	0.00	3.60
Val Ala Gly	ME1200754	0.00	0.00	3.60
Ubisemiquinone	ME1200747	0.00	0.00	3.60
Tyrosyl-Proline	ME1200746	0.00	0.00	3.60
Tyr Met Asp	ME1200744	0.00	0.00	3.60
Tyramine glucuronide	ME1200745	0.00	0.00	3.60
Tubulosine	ME1200742	0.00	0.00	3.60
Tsugaric acid C	ME1200740	0.00	0.00	3.60
Tropisetron	ME1200739	0.00	0.00	3.60
Triphenylphosphine oxide	ME1200738	0.00	0.00	3.60
Tri-N-acetylchitotriose	ME1200737	0.00	0.00	3.60
Trimethadione	ME1200736	0.00	0.00	3.60
Tridodecylamine	ME1200733	0.00	0.00	3.60
Tridecanamide	ME1200732	0.00	0.00	3.60
Thr Glu Tyr Esi+5.9490004	ME1200724	0.00	0.00	3.60
Threoninyl-Leucine	ME1200728	0.00	0.00	3.60
thio-Miltefosine Esi+13.359999	ME1200720	0.00	0.00	3.60
TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	ME1200719	0.00	0.00	3.60
TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6]	ME1200718	0.00	0.00	3.60
TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6]	ME1200717	0.00	0.00	3.60
TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:3(8Z,11Z,14Z))[iso6]	ME1200715	0.00	0.00	3.60
TG(15:0/18:2(9Z,12Z)/19:1(9Z))[iso6]	ME1200711	0.00	0.00	3.60
Tafluprost ethyl amide	ME1200707	0.00	0.00	3.60
Spisulosine	ME1200698	0.00	0.00	3.60
Soyasaponin aa Esi+13.734999	ME1200692	0.00	0.00	3.60
Soyasaponin aa	ME1200693	0.00	0.00	3.60
Sophorapterocarpan A	ME1200690	0.00	0.00	3.60
Ser Arg Arg	ME1200686	0.00	0.00	3.60
Schleicherastatin 5 Esi+21.798998	ME1200679	0.00	0.00	3.60
Sarothralin	ME1200677	0.00	0.00	3.60
(S1)-Methoxy-3-heptanethiol Esi+0.777	ME1199885	0.00	0.00	3.60
(R)-Stearoylcarnitine	ME1199881	0.00	0.00	3.60
Rifamycin Z	ME1200666	0.00	0.00	3.60
(R)-6^-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin	ME1199880	0.00	0.00	3.60
QYNAD	ME1200663	0.00	0.00	3.60
Pyro-L-glutaminyl-L-glutamine	ME1200658	0.00	0.00	3.60
PS(O-16:0/12:0)	ME1200654	0.00	0.00	3.60
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)	ME1200653	0.00	0.00	3.60
Pro Tyr Val	ME1200646	0.00	0.00	3.60
Pro Pro Val	ME1200645	0.00	0.00	3.60
Pro Gln His	ME1200640	0.00	0.00	3.60
Pro Cys Trp	ME1200639	0.00	0.00	3.60
Prenyl-L-cysteine	ME1200638	0.00	0.00	3.60
Precorrin 4 Esi+6.995	ME1200636	0.00	0.00	3.60
Precorrin 4 Esi+24.101	ME1200635	0.00	0.00	3.60
Precorrin 4	ME1200637	0.00	0.00	3.60
p,p^-Methoxychlor olefin	ME1200499	0.00	0.00	3.60
Polyethylene, oxidized	ME1200631	0.00	0.00	3.60
Polidocanol Esi+16.905	ME1200629	0.00	0.00	3.60
Polidocanol	ME1200628	0.00	0.00	3.60
Pisumsaponin I	ME1200626	0.00	0.00	3.60
Piretanide glucuronide	ME1200625	0.00	0.00	3.60
Pipotiazine	ME1200623	0.00	0.00	3.60
PI(P-16:0/13:0)	ME1200621	0.00	0.00	3.60
Phosphocreatine	ME1200615	0.00	0.00	3.60
Phlegmarine	ME1200613	0.00	0.00	3.60
Phe Phe Phe	ME1200608	0.00	0.00	3.60
Phenylacetylglycine dimethylamide	ME1200611	0.00	0.00	3.60
Phenothrin	ME1200610	0.00	0.00	3.60
Phe Arg Arg	ME1200607	0.00	0.00	3.60
PGE1-EA	ME1200604	0.00	0.00	3.60
PG(17:0/0:0)	ME1200599	0.00	0.00	3.60
PG(16:0/17:1(9Z))	ME1200598	0.00	0.00	3.60
PF-3845	ME1200595	0.00	0.00	3.60
Petunidin 3-O-[6-O-(4-O-(4-O-(beta-D-glucopyranosyl)-trans-p-coumaroyl)-alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]- 5-O-[beta-D-glucopyranoside]	ME1200594	0.00	0.00	3.60
PE(P-20:0/20:5(5Z,8Z,11Z,14Z,17Z))	ME1200584	0.00	0.00	3.60
PE(P-19:1(12Z)/0:0) Esi+14.928999	ME1200582	0.00	0.00	3.60
PE(P-19:1(12Z)/0:0)	ME1200583	0.00	0.00	3.60
Peonidin-3-galactoside	ME1200592	0.00	0.00	3.60
PE-NMe(18:1(9E)/18:1(9E))	ME1200590	0.00	0.00	3.60
PE-Cer(d16:2(4E,6E)/18:0)	ME1200586	0.00	0.00	3.60
PE-Cer(d16:1(4E)/19:0)	ME1200585	0.00	0.00	3.60
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:0)	ME1200581	0.00	0.00	3.60
PE(22:4(7Z,10Z,13Z,16Z)/19:1(9Z))	ME1200580	0.00	0.00	3.60
PE(22:2(13Z,16Z)/16:1(9Z))	ME1200579	0.00	0.00	3.60
PE(20:3(8Z,11Z,14Z)/0:0)	ME1200577	0.00	0.00	3.60
PE(20:2(11Z,14Z)/13:0)	ME1200576	0.00	0.00	3.60
PE(19:1(9Z)/22:2(13Z,16Z))	ME1200574	0.00	0.00	3.60
PE(17:1(9Z)/22:2(13Z,16Z))	ME1200572	0.00	0.00	3.60
PE(17:0/22:2(13Z,16Z)) Esi+24.716002	ME1200570	0.00	0.00	3.60
PE(17:0/20:4(5Z,8Z,11Z,14Z))	ME1200569	0.00	0.00	3.60
PE(15:0/24:1(15Z))	ME1200566	0.00	0.00	3.60
PE(15:0/22:1(13Z))	ME1200565	0.00	0.00	3.60
PE(14:0/12:0)	ME1200564	0.00	0.00	3.60
p-Cresol	ME1200561	0.00	0.00	3.60
PC(P-18:1(9Z)/0:0)	ME1200558	0.00	0.00	3.60
PC(P-18:0/17:2(9Z,12Z))	ME1200557	0.00	0.00	3.60
p-Coumaroylputrescine	ME1200560	0.00	0.00	3.60
PC(O-18:2(9Z,12Z)/22:0)	ME1200555	0.00	0.00	3.60
PC(O-18:1(9Z)/0:0)	ME1200554	0.00	0.00	3.60
PC(O-16:1(9Z)/0:0)	ME1200553	0.00	0.00	3.60
PC(O-16:0/0:0)[U]	ME1200552	0.00	0.00	3.60
PC(O-12:0/O-1:0)[U]	ME1200551	0.00	0.00	3.60
PC(O-12:0/0:0)[U]	ME1200550	0.00	0.00	3.60
PC(9:0/14:0)[U]	ME1200549	0.00	0.00	3.60
PC(8:0/7:0)[U]	ME1200548	0.00	0.00	3.60
PC(8:0/5:0)[U]	ME1200547	0.00	0.00	3.60
PC(7:0/O-8:0)	ME1200546	0.00	0.00	3.60
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+23.727001	ME1200543	0.00	0.00	3.60
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Esi+23.722	ME1200542	0.00	0.00	3.60
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)	ME1200541	0.00	0.00	3.60
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)	ME1200540	0.00	0.00	3.60
PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) Esi+23.916	ME1200539	0.00	0.00	3.60
PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) Esi+23.729998	ME1200537	0.00	0.00	3.60
PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)	ME1200538	0.00	0.00	3.60
PC(22:4(7Z,10Z,13Z,16Z)/16:0) Esi+23.632002	ME1200535	0.00	0.00	3.60
PC(22:4(7Z,10Z,13Z,16Z)/16:0)	ME1200534	0.00	0.00	3.60
PC(22:4(7Z,10Z,13Z,16Z)/15:1(9Z)) Esi+23.957	ME1200532	0.00	0.00	3.60
PC(22:4(7Z,10Z,13Z,16Z)/15:1(9Z)) Esi+23.641003	ME1200533	0.00	0.00	3.60
PC(22:4(7Z,10Z,13Z,16Z)/15:1(9Z))	ME1200531	0.00	0.00	3.60
PC(22:4(7Z,10Z,13Z,16Z)/14:0)	ME1200530	0.00	0.00	3.60
PC(22:4(7Z,10Z,13Z,16Z)/12:0)	ME1200529	0.00	0.00	3.60
PC(22:4(7Z,10Z,13Z,16Z)/0:0)	ME1200528	0.00	0.00	3.60
PC(22:1(11Z)/16:0)	ME1200524	0.00	0.00	3.60
PC(22:1(11Z)/14:0)	ME1200523	0.00	0.00	3.60
PC(22:1(11Z)/12:0) Esi+23.964003	ME1200521	0.00	0.00	3.60
PC(22:1(11Z)/12:0)	ME1200522	0.00	0.00	3.60
PC(20:3(8Z,11Z,14Z)/0:0) Esi+14.643999	ME1200520	0.00	0.00	3.60
PC(19:1(9Z)/17:2(9Z,12Z))	ME1200518	0.00	0.00	3.60
PC(18:4(6Z,9Z,12Z,15Z)/0:0)	ME1200517	0.00	0.00	3.60
PC(18:0/18:2(9Z,12Z))	ME1200516	0.00	0.00	3.60
PC(16:1(9Z)/2:0)	ME1200515	0.00	0.00	3.60
PC(16:0/O-1:0) Esi+15.502001	ME1200513	0.00	0.00	3.60
PC(16:0/O-1:0)	ME1200514	0.00	0.00	3.60
PC(15:1(9Z)/0:0)	ME1200512	0.00	0.00	3.60
PC(13:0/0:0)[U]	ME1200511	0.00	0.00	3.60
Patientoside A	ME1200509	0.00	0.00	3.60
PA(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))	ME1200507	0.00	0.00	3.60
(?-Pandamarine	ME1199848	0.00	0.00	3.60
Palmitic acid(d3)	ME1200508	0.00	0.00	3.60
PA(17:1(9Z)/0:0)	ME1200501	0.00	0.00	3.60
Omphalotin B	ME1200495	0.00	0.00	3.60
Oleoyl Ethanolamide	ME1200494	0.00	0.00	3.60
N-stearoyl valine	ME1200493	0.00	0.00	3.60
N-stearoyl glutamic acid Esi+16.438997	ME1200492	0.00	0.00	3.60
N-stearoyl alanine	ME1200491	0.00	0.00	3.60
N-palmitoyl threonine	ME1200490	0.00	0.00	3.60
Nostopeptolide A2	ME1200488	0.00	0.00	3.60
N-Ornithyl-L-taurine Esi+1.9869998	ME1200484	0.00	0.00	3.60
Nonacosanoic acid	ME1200481	0.00	0.00	3.60
N,O-Didesmethylverapamil	ME1200451	0.00	0.00	3.60
N,N-Diisopropyltryptamine	ME1200450	0.00	0.00	3.60
Nimesulide	ME1200478	0.00	0.00	3.60
NeuGcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))	ME1200473	0.00	0.00	3.60
Neolinustatin	ME1200471	0.00	0.00	3.60
Neoarctin B	ME1200470	0.00	0.00	3.60
N-Didesethylquinagolide glucuronide	ME1200468	0.00	0.00	3.60
N-Carbamoyl-2-amino-2-(4-hydroxyphenyl)acetic acid	ME1200466	0.00	0.00	3.60
N-Acetylprimaquine	ME1200460	0.00	0.00	3.60
N-Acetyl-O-demethylpuromycin	ME1200458	0.00	0.00	3.60
N-Acetylgalactosaminyl lactose	ME1200457	0.00	0.00	3.60
N-(3-(hexadecanoyloxy)-heptadecanoyl)-L-ornithine	ME1200446	0.00	0.00	3.60
N3^-Acetylapramycin	ME1200454	0.00	0.00	3.60
N-(2-hydroxyethyl)henicosanamide	ME1200445	0.00	0.00	3.60
N-(2^-(4-benzenesulfonamide)-ethyl) arachidonoyl amine	ME1200444	0.00	0.00	3.60
N1,N5,N10-Tricoumaroyl spermidine	ME1200452	0.00	0.00	3.60
Myxochelin A	ME1200440	0.00	0.00	3.60
Mycinamicin VII	ME1200439	0.00	0.00	3.60
Muricatacin	ME1200437	0.00	0.00	3.60
Mirasan	ME1200431	0.00	0.00	3.60
Microcystin YR	ME1200429	0.00	0.00	3.60
Met Trp Met	ME1200422	0.00	0.00	3.60
Melamine	ME1200420	0.00	0.00	3.60
Medicoside I	ME1200418	0.00	0.00	3.60
Mebrofenin	ME1200416	0.00	0.00	3.60
MDL 74156 glucuronide	ME1200414	0.00	0.00	3.60
Mangostenol	ME1200411	0.00	0.00	3.60
Mangostanol	ME1200410	0.00	0.00	3.60
Lysyl-Leucine Esi+6.833	ME1200406	0.00	0.00	3.60
Lysyl-Leucine Esi+5.0880003	ME1200404	0.00	0.00	3.60
Lys Val Trp	ME1200399	0.00	0.00	3.60
LysoPE(24:1(15Z)/0:0)	ME1200403	0.00	0.00	3.60
LysoPE(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)	ME1200402	0.00	0.00	3.60
LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ME1200401	0.00	0.00	3.60
LysoPC(20:4(8Z,11Z,14Z,17Z)) Esi+13.997999	ME1200400	0.00	0.00	3.60
Lynestrenol	ME1200394	0.00	0.00	3.60
Lycodine	ME1200391	0.00	0.00	3.60
Lycoctonine	ME1200390	0.00	0.00	3.60
Loxtidine	ME1200389	0.00	0.00	3.60
Latanoprost (free acid)-d4	ME1200378	0.00	0.00	3.60
Lappaol C Esi+6.988	ME1200375	0.00	0.00	3.60
Lappaol C	ME1200376	0.00	0.00	3.60
Lancerin	ME1200374	0.00	0.00	3.60
Kuwanon R	ME1200371	0.00	0.00	3.60
Kurilensoside G	ME1200370	0.00	0.00	3.60
Koryoginsenoside R1	ME1200369	0.00	0.00	3.60
Kanamycin A 3^-phosphate	ME1200366	0.00	0.00	3.60
Jamaicamide C	ME1200363	0.00	0.00	3.60
Isothipendyl	ME1200362	0.00	0.00	3.60
Isoamericanol A	ME1200356	0.00	0.00	3.60
Ile Arg Gln Esi+0.982	ME1200347	0.00	0.00	3.60
Ile Arg Gln	ME1200348	0.00	0.00	3.60
Ikarisoside F	ME1200346	0.00	0.00	3.60
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-)	ME1200344	0.00	0.00	3.60
Icilin	ME1200343	0.00	0.00	3.60
ibopamine	ME1200342	0.00	0.00	3.60
Hovenidulcigenin A	ME1200339	0.00	0.00	3.60
Hordatine B Esi+16.057001	ME1200337	0.00	0.00	3.60
Hordatine B	ME1200338	0.00	0.00	3.60
Herculin Esi+8.158999	ME1200329	0.00	0.00	3.60
Herbacetin 7-(6^^-quinoylglucoside)	ME1200327	0.00	0.00	3.60
Goshonoside F6 Esi+10.003999	ME1200324	0.00	0.00	3.60
Gnididin	ME1200319	0.00	0.00	3.60
Gly-Met-OH	ME1200318	0.00	0.00	3.60
Glycogen	ME1200316	0.00	0.00	3.60
Glycerol triundecanoate Esi+11.668	ME1200314	0.00	0.00	3.60
Glycerol triundecanoate	ME1200315	0.00	0.00	3.60
Glycerol tribenzoate	ME1200312	0.00	0.00	3.60
Gly-Asn-OH Esi+3.884	ME1200310	0.00	0.00	3.60
Glu His Ile	ME1200300	0.00	0.00	3.60
Glucoscilliroside	ME1200303	0.00	0.00	3.60
Gln Gln Tyr	ME1200297	0.00	0.00	3.60
Gln Gln Gln	ME1200294	0.00	0.00	3.60
GlcCer(d18:2/20:1)	ME1200292	0.00	0.00	3.60
GlcCer(d16:2(4E,6E)/20:0(2OH))	ME1200291	0.00	0.00	3.60
Glabrin D	ME1200289	0.00	0.00	3.60
Ganglioside GD3 (d18:1/25:0)	ME1200286	0.00	0.00	3.60
Gambogic acid	ME1200278	0.00	0.00	3.60
Gallopamil	ME1200277	0.00	0.00	3.60
Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0)	ME1200273	0.00	0.00	3.60
Galalpha1-3(GalNAcbeta1-4Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/22:0)	ME1200272	0.00	0.00	3.60
Galalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0)	ME1200276	0.00	0.00	3.60
Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z))	ME1200274	0.00	0.00	3.60
Furo[3,4-b]pyridine-3-carboxylic acid, 5,7-dihydro-2-methyl-4-(2-nitrophenyl)-5-oxo-, methyl ester	ME1200270	0.00	0.00	3.60
Furaneol 4-(6-malonylglucoside)	ME1200269	0.00	0.00	3.60
Fosaprepitant	ME1200266	0.00	0.00	3.60
Foeniculoside VII	ME1200264	0.00	0.00	3.60
Fludarabine phosphate	ME1200261	0.00	0.00	3.60
Euchretin C	ME1200255	0.00	0.00	3.60
Ethion	ME1200251	0.00	0.00	3.60
Epithienamycin F	ME1200245	0.00	0.00	3.60
Ephedrannin A	ME1200244	0.00	0.00	3.60
Enkephalin L	ME1200242	0.00	0.00	3.60
(E)-Avenanthramide D	ME1199874	0.00	0.00	3.60
dXTP	ME1200238	0.00	0.00	3.60
D-Pantetheine 4^-phosphate	ME1200235	0.00	0.00	3.60
Donepezil	ME1200234	0.00	0.00	3.60
Diosgenin 3-[glucosyl-(1-4)-[glucopyranosyl-(1-6)]-glucopyranosyl-(1-4)-rhamnosyl-(1-4)-[rhamnosyl-(1-2)]-glucoside]	ME1200229	0.00	0.00	3.60
Dioctyl hexanedioate	ME1200228	0.00	0.00	3.60
Dimoracin Esi+4.48	ME1200224	0.00	0.00	3.60
Dimoracin	ME1200225	0.00	0.00	3.60
Diltiazem	ME1200223	0.00	0.00	3.60
Diisobutyl phthalate	ME1200222	0.00	0.00	3.60
Dihydrowyerol	ME1200220	0.00	0.00	3.60
Dihydroisolysergic acid II	ME1200218	0.00	0.00	3.60
Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine	ME1200214	0.00	0.00	3.60
Diethylstilbestryl disulfate	ME1200213	0.00	0.00	3.60
Diclofop	ME1200211	0.00	0.00	3.60
Dibenzothiophene	ME1200210	0.00	0.00	3.60
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/0:0)	ME1200209	0.00	0.00	3.60
DG(19:1(9Z)/19:0/0:0)[iso2]	ME1200207	0.00	0.00	3.60
DG(15:1(9Z)/18:1(9Z)/0:0)[iso2]	ME1200206	0.00	0.00	3.60
DG(12:0/12:0/0:0)[iso2]	ME1200205	0.00	0.00	3.60
Deoxyuridine triphosphate (dUTP) Esi+12.673999	ME1200203	0.00	0.00	3.60
Deoxyuridine triphosphate (dUTP)	ME1200202	0.00	0.00	3.60
Demethylcitalopram	ME1200201	0.00	0.00	3.60
Deltaline	ME1200200	0.00	0.00	3.60
Delphinidin 3-arabinoside	ME1200199	0.00	0.00	3.60
Decoside	ME1200196	0.00	0.00	3.60
Dalpanol O-glucoside	ME1200193	0.00	0.00	3.60
D-Alanyl-(R)-lactate	ME1200192	0.00	0.00	3.60
Dabigatran etexilate	ME1200191	0.00	0.00	3.60
D-1-Aminopropan-2-ol O-phosphate	ME1200189	0.00	0.00	3.60
Cyclocalamin Esi+9.849999	ME1200186	0.00	0.00	3.60
Cyanopeptolin S	ME1200183	0.00	0.00	3.60
Cyanofenphos	ME1200182	0.00	0.00	3.60
Correolide	ME1200177	0.00	0.00	3.60
Clupanodonic acid Esi+16.412998	ME1200174	0.00	0.00	3.60
Clidinium	ME1200172	0.00	0.00	3.60
Citrusin B	ME1200169	0.00	0.00	3.60
Citbismine E	ME1200168	0.00	0.00	3.60
cis-(Z)-Flupenthixol	ME1200164	0.00	0.00	3.60
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene	ME1200165	0.00	0.00	3.60
Chymostatin	ME1200161	0.00	0.00	3.60
Cholest-5-ene	ME1200160	0.00	0.00	3.60
CGS 7181	ME1200156	0.00	0.00	3.60
CGP72383 Esi+16.059002	ME1200154	0.00	0.00	3.60
CGP72383	ME1200155	0.00	0.00	3.60
Cer(t20:0/20:0)	ME1200152	0.00	0.00	3.60
Cer(d18:1/24:1(15Z)) Esi+23.791	ME1200148	0.00	0.00	3.60
Cer(d16:2(4E,6E)/20:1(11Z))	ME1200147	0.00	0.00	3.60
Cer(d16:1(4E)/24:0(2OH))	ME1200146	0.00	0.00	3.60
Cer(d14:2(4E,6E)/18:0)	ME1200145	0.00	0.00	3.60
Carumonam Esi+23.759	ME1200142	0.00	0.00	3.60
C18-OH Sulfatide	ME1200135	0.00	0.00	3.60
BW 246C	ME1200134	0.00	0.00	3.60
Bryotoxin A Esi+14.615999	ME1200132	0.00	0.00	3.60
Brucine	ME1200131	0.00	0.00	3.60
Bromocriptine	ME1200129	0.00	0.00	3.60
Bromfenac	ME1200128	0.00	0.00	3.60
Borrerine	ME1200127	0.00	0.00	3.60
Bluensomycin	ME1200126	0.00	0.00	3.60
Biliverdin IX	ME1200123	0.00	0.00	3.60
Betavulgaroside VI	ME1200122	0.00	0.00	3.60
beta-Hydroxyacteoside	ME1200121	0.00	0.00	3.60
Benzaldehyde	ME1200114	0.00	0.00	3.60
Benomyl	ME1200113	0.00	0.00	3.60
b-Chlorogenin 3-[4^^-(2^^^-glucosyl-3^^^-xylosylglucosyl)galactoside]	ME1200112	0.00	0.00	3.60
Aspartyl-Asparagine	ME1200106	0.00	0.00	3.60
Asn Tyr Arg	ME1200103	0.00	0.00	3.60
Artonol B	ME1200100	0.00	0.00	3.60
Argyrolobine	ME1200098	0.00	0.00	3.60
Arginyl-Alanine	ME1200097	0.00	0.00	3.60
Arg His Trp	ME1200096	0.00	0.00	3.60
Arabinosylhypoxanthine	ME1200095	0.00	0.00	3.60
Anandamide (18:3, n-6)	ME1200090	0.00	0.00	3.60
AMCC	ME1200089	0.00	0.00	3.60
alpha-Ionol O-[arabinosyl-(1-6)-glucoside]	ME1200088	0.00	0.00	3.60
Allyl thiohexanoate	ME1200085	0.00	0.00	3.60
Aliskiren	ME1200083	0.00	0.00	3.60
Alcoifosfamide	ME1200081	0.00	0.00	3.60
Albendazole (IV) 1H-Benzimidazol-2-amine	ME1200080	0.00	0.00	3.60
Ala Val Ala	ME1200078	0.00	0.00	3.60
Ala Phe Ala	ME1200076	0.00	0.00	3.60
Ala-Gly-OH	ME1200079	0.00	0.00	3.60
Ala Ala Pro Esi+5.326	ME1200074	0.00	0.00	3.60
AL 8810 ethyl amide	ME1200072	0.00	0.00	3.60
AG-99	ME1200071	0.00	0.00	3.60
Actinamine	ME1200070	0.00	0.00	3.60
A 80987	ME1200067	0.00	0.00	3.60
9R,10S-Epoxy-6Z-heneicosene	ME1200065	0.00	0.00	3.60
9-Pentacosene	ME1200064	0.00	0.00	3.60
9-Docosene	ME1200062	0.00	0.00	3.60
9,12,15-Octadecatrien-1-ol	ME1200060	0.00	0.00	3.60
8-methyl-hexadecanedioic acid	ME1200056	0.00	0.00	3.60
8-Chloro-5,7,4^-trihydroxy-3-C-methylflavanone	ME1200055	0.00	0.00	3.60
7-Ethyl-3,11-dimethyl-1,3Z,6E,10E-tridecatetraene Esi+17.972998	ME1200048	0.00	0.00	3.60
(7E)-2-acetyl-2,3,4,5-tetrahydrooxonine-6,9-dione	ME1199871	0.00	0.00	3.60
7-Chloro-3,3^,4^,5,6,8-hexamethoxyflavone	ME1200046	0.00	0.00	3.60
7-Carboxynalidixic acid	ME1200045	0.00	0.00	3.60
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide 2^-phosphate	ME1199869	0.00	0.00	3.60
6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol	ME1200031	0.00	0.00	3.60
6^-Methoxypolygoacetophenoside	ME1200044	0.00	0.00	3.60
6-Mercaptopurine ribonucleoside 5^-diphosphate Esi+12.513	ME1200042	0.00	0.00	3.60
6-Mercaptopurine ribonucleoside 5^-diphosphate	ME1200043	0.00	0.00	3.60
6-HydroxyKetanserin	ME1200040	0.00	0.00	3.60
6-Hydroxy-1H-indole-3-acetamide	ME1200038	0.00	0.00	3.60
6-Heptynoic acid	ME1200037	0.00	0.00	3.60
6-Deoxy-5-ketofructose 1-phosphate	ME1200036	0.00	0.00	3.60
(+/-)-6-Acetonyldihydrochelerythrine	ME1199851	0.00	0.00	3.60
5-Methoxy-DL-tryptophan	ME1200028	0.00	0.00	3.60
5-Hydroxyprimaquine	ME1200027	0.00	0.00	3.60
5-Hydroxyindoleacetylglycine	ME1200026	0.00	0.00	3.60
(5b,7a,12a)-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)methyl ester Esi+17.071	ME1199867	0.00	0.00	3.60
(5b,7a,12a)-(1,3-dihydro-5-nitro-1,3-dioxo-2H-isoindol-2-yl)methyl ester	ME1199866	0.00	0.00	3.60
5-Amino-6-ribitylamino uracil	ME1200022	0.00	0.00	3.60
5,8,10,14-Eicosatetraenoic acid, 12-hydroxy-, [S-(E,Z,Z,Z)]-; 12(S)-5,8,10,14-Hydroxyeicosatetraenoic acid; 12(S)-HETE; 12-HETE; 12-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12-Hydroxyeicosatetraenoic acid; 12-L-Hydroxy-5,8,10,14-eicosatetraenoic acid; 12S	ME1200019	0.00	0.00	3.60
5,6,7,8-Tetrahydromethanopterin	ME1200018	0.00	0.00	3.60
5,2^,4^-Trihydroxy-3,6,7,8-tetramethoxyflavone	ME1200017	0.00	0.00	3.60
4S,5S-antillatoxin A	ME1200014	0.00	0.00	3.60
(4OH,8Z,t18:1) sphingosine	ME1199864	0.00	0.00	3.60
4-Hydroxyfurano[2^^,3^^:6,7]aurone	ME1200011	0.00	0.00	3.60
4-Hydroxybenzenesulfonic acid	ME1200010	0.00	0.00	3.60
4^-Chloro-2-hydroxyaurone Esi+1.2609999	ME1200006	0.00	0.00	3.60
4-Amino-2-nitrophenol	ME1200000	0.00	0.00	3.60
[4,8^^:4^^,8^^^^-Terflavan]-3,3^^,3^^^^,4^,4^^^,4^^^^,4^^^^^,5,5^^,5^^^^,7,7^^,7^^^^-tridecol	ME1199890	0.00	0.00	3.60
4,5-Dimethoxy-1,2-benzenedicarboxylic acid Esi+2.9879997	ME1199994	0.00	0.00	3.60
3Z,6Z,9Z,12Z-eicosatetraene	ME1199991	0.00	0.00	3.60
3-oxohexacosanoic acid	ME1199990	0.00	0.00	3.60
3-Oxo-alpha-ionol 9-[apiosyl-(1-6)-glucoside]	ME1199989	0.00	0.00	3.60
3-Methylsulfinylpropyl isothiocyanate	ME1199988	0.00	0.00	3.60
3-Mercaptohexyl hexanoate	ME1199987	0.00	0.00	3.60
3?-Hydroxy-5?,6?-epoxy-9-oxo-9,10-seco-5-cholest-7-en-11-al	ME1199981	0.00	0.00	3.60
3-Formylrifampin	ME1199986	0.00	0.00	3.60
3-Epimasticadienolic acid	ME1199985	0.00	0.00	3.60
3-Chloro-2-hydroxymuconic semialdehyde	ME1199983	0.00	0.00	3.60
(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol	ME1199858	0.00	0.00	3.60
(3-Aminopropoxy)guanidine	ME1199855	0.00	0.00	3.60
3-(2-Heptenyloxy)-2-hydroxypropyl undecanoate	ME1199978	0.00	0.00	3.60
2-Undecyl-4(1H)-quinolinone N-oxide	ME1199977	0.00	0.00	3.60
2-O-Caffeoylglucarate	ME1199973	0.00	0.00	3.60
2-Methoxycanthin-6-one Esi+5.9490004	ME1199968	0.00	0.00	3.60
2-(m-Chlorophenyl)-2-(p-chlorophenyl)-1,1-dichloroethane	ME1199940	0.00	0.00	3.60
2-Hexaprenyl-6-methoxy-1,4-benzoquinol	ME1199963	0.00	0.00	3.60
2-DPMP Esi+9.127	ME1199961	0.00	0.00	3.60
2-Amino-3-oxobutanoate	ME1199960	0.00	0.00	3.60
2alpha-Fluoro-17beta-hydroxyandrost-4-en-3-one	ME1199957	0.00	0.00	3.60
2-(a-Hydroxyethyl)thiamine diphosphate	ME1199939	0.00	0.00	3.60
29-demethylgeodisterol-O-sulfite	ME1199956	0.00	0.00	3.60
2-(4-Methyl-5-thiazolyl)ethyl formate	ME1199937	0.00	0.00	3.60
24,25-epoxy-cholesterol(d6)	ME1199955	0.00	0.00	3.60
2,3-dinor Thromboxane B1	ME1199945	0.00	0.00	3.60
2,2-Dimethyl-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-7-ol acetate	ME1199942	0.00	0.00	3.60
2,2^,3-Trihydroxy-3^-methoxy-5,5^-dicarboxybiphenyl	ME1199941	0.00	0.00	3.60
22:0-Glc-Campesterol Esi+23.599	ME1199951	0.00	0.00	3.60
20-fluoro-11Z-eicosenoic acid	ME1199950	0.00	0.00	3.60
20:3 Stigmasteryl ester	ME1199949	0.00	0.00	3.60
1-O-[2-(Acetylamino)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-Inositol	ME1199934	0.00	0.00	3.60
18:1 Campesteryl ester Esi+24.020002	ME1199924	0.00	0.00	3.60
18:1 Campesteryl ester	ME1199925	0.00	0.00	3.60
16-Hydroxy-10-oxohexadecanoic acid	ME1199923	0.00	0.00	3.60
1-(6-[5]-ladderane-hexanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	ME1199897	0.00	0.00	3.60
15:0 Cholesteryl ester	ME1199921	0.00	0.00	3.60
13-cis-retinoic acid, Isotretinoin	ME1199917	0.00	0.00	3.60
1,3,6-Trihydroxy-5-methoxyxanthone	ME1199905	0.00	0.00	3.60
1,2-bis(heptanoylthio) Glycerophosphocholine Esi+13.358	ME1199902	0.00	0.00	3.60
1,2-bis(heptanoylthio) Glycerophosphocholine Esi+12.807001	ME1199904	0.00	0.00	3.60
1,2-bis(heptanoylthio) Glycerophosphocholine	ME1199903	0.00	0.00	3.60
11-Ketorockogenin acetate	ME1199914	0.00	0.00	3.60
11-Hydroxycanthin-6-one	ME1199913	0.00	0.00	3.60
1,1-Dimethoxydecane	ME1199900	0.00	0.00	3.60
1-(14-methyl-pentadecanyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol	ME1199892	0.00	0.00	3.60
10-fluoro-capric acid	ME1199911	0.00	0.00	3.60
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol	ME1199852	0.00	0.00	3.60
3,17-Dihydroxypancuronium	ME1199979	0.00	0.57	3.03
2-Methoxycanthin-6-one	ME1199969	0.00	0.44	3.16
PE(16:1(9Z)/15:1(9Z))	ME1200568	0.00	0.40	3.20
(S)-alpha-Amino-4-carboxy-3-furanpropanoic acid	ME1199883	0.00	0.42	3.18
2-O-p-Coumaroyltartronic acid	ME1199974	0.00	0.20	3.40
(3b,16a,20R)-25-Acetoxy-3,16,20,22-tetrahydroxy-5-cucurbiten-11-one 3-glucoside	ME1199857	0.13	0.22	3.17
2,6R-Dimethyl-2E-octen-1,8-dioic acid	ME1199948	0.00	3.15	0.45
Meta-Tyrosine	ME1200423	0.00	2.60	1.00
Ethyl hydrogen fumarate	ME1200254	0.00	2.32	1.28
4-Chloro-3,5-dimethoxybenzyl alcohol	ME1200007	0.00	2.26	1.34
Ethambutol	ME1200250	0.00	2.26	1.34
Phenylmercuric Acetate	ME1200612	0.00	1.81	1.79
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole	ME1199896	0.00	1.85	1.75
(3xi,6xi)-Cyclo(alanylvalyl)	ME1199862	0.00	1.87	1.73
4,5-Dimethoxy-1,2-benzenedicarboxylic acid	ME1199995	0.00	1.88	1.72
4-Amino-3- (5-Chlorothien-2-Yl)Butanoic Acid	ME1200001	0.00	2.03	1.57
5(S),6(R)-Lipoxin A4-d5	ME1200016	0.00	1.97	1.63
N-Nitrosopyrrolidine	ME1200479	0.00	1.92	1.68
Correolide Esi+6.584155	ME1200176	0.00	1.53	2.07
Thr Thr Gly	ME1200726	0.00	1.54	2.06
10-(beta-Dimethylaminopropionyl)phenothiazine	ME1199910	0.00	1.54	2.06
(R)-(+)-2-Pyrrolidone-5-carboxylic acid	ME1199879	0.00	1.54	2.06
18-Nor-4(19),8,11,13-abietatetraene	ME1199926	0.00	1.59	2.01
Methyl 1-methoxy-1H-indole-3-carboxylate	ME1200426	0.00	1.56	2.04
Pizotyline-N-glucuronide	ME1200627	0.00	1.57	2.03
GlcCer(d16:1/18:0)	ME1200290	0.00	1.70	1.90
Lysyl-Leucine	ME1200405	0.00	1.72	1.88
Physalin K	ME1200617	0.00	1.64	1.96
Ile Val Gly Esi+0.85999995	ME1200352	0.00	1.66	1.94
Phaclofen Esi+1.7938461	ME1200605	0.00	1.67	1.93
Flonicamid	ME1200260	0.00	1.68	1.92
Metharbital	ME1200425	0.00	1.68	1.92
Berberrubine	ME1200119	0.00	1.48	2.12
N-(1-Deoxy-1-fructosyl)isoleucine	ME1200442	0.00	1.45	2.15
1,8-Diazacyclotetradecane-2,9-dione Esi+8.092537	ME1199907	0.00	1.40	2.20
(?-Glycerol 1,2-diacetate	ME1199846	0.00	1.41	2.19
Mirasan Esi+0.8560001	ME1200430	0.00	1.41	2.19
4-Carboxy-4^-sulfoazobenzene	ME1200004	0.00	1.34	2.26
nor-NOHA Esi+0.96038467	ME1200486	0.00	1.38	2.22
Bromoenol lactone	ME1200130	0.00	1.37	2.23
Methandriol dipropionate	ME1200424	0.00	1.37	2.23
PE(17:0/22:2(13Z,16Z)) Esi+23.97263	ME1200571	0.07	1.13	2.36
Cobalt-precorrin 7	ME1200175	0.00	1.23	2.37
Fluperlapine Esi+7.9648457	ME1200263	0.00	1.22	2.38
16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester	ME1199922	0.00	1.29	2.31
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole Esi+1.7818574	ME1199893	0.00	1.26	2.34
Hordatine A glucoside	ME1200336	0.00	1.27	2.33
5-Fluoro-5^-Deoxyuridine	ME1200023	0.00	0.93	2.67
7-Methylthioheptyl glucosinolate	ME1200053	0.00	0.92	2.68
Penconazole	ME1200587	0.00	0.92	2.68
Epivoacorine	ME1200246	0.00	0.88	2.72
Gancaonin X	ME1200285	0.00	0.89	2.71
8-O-Methyloblongine	ME1200057	0.00	0.78	2.82
Diethyl phenyl phosphate	ME1200212	0.00	0.85	2.75
Cer(d18:1/24:1(15Z))	ME1200149	0.00	0.83	2.77
Glycerol triundecanoate Esi+20.923616	ME1200313	0.00	0.82	2.78
(3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne	ME1199860	0.00	1.02	2.58
Lys Asn Ser	ME1200396	0.00	1.02	2.58
7-Methylguanosine	ME1200052	0.00	1.00	2.60
Asp Met Met	ME1200105	0.00	0.99	2.61
Gamma-glutamyl-Lysine	ME1200282	0.00	0.97	2.63
Zanthosimuline	ME1200765	0.00	0.98	2.62
(E,E)-1,7-Diphenyl-4,6-heptadien-3-ol	ME1199875	0.00	1.06	2.54
(6S)-vitamin D3 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct / (6S)-cholecalciferol 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct	ME1199870	0.00	1.07	2.53
Oryzalic acid B Esi+11.344602	ME1200497	0.00	1.07	2.53
Ethyl 2-phenyl-3-furancarboxylate	ME1200252	0.00	1.09	2.51
(S)-3-Methylthiohexyl butyrate	ME1199882	0.00	1.09	2.51
PC(24:0/22:0)	ME1200545	0.00	1.11	2.49
PE(20:1(11Z)/15:0)	ME1200575	0.00	1.11	2.49
Sorafenib	ME1200691	0.00	1.14	2.46
9-bromo-decanoic acid	ME1200061	0.00	1.14	2.46
Dinitrosopentamethylenetetramine	ME1200226	0.00	1.14	2.46
Miraxanthin-III	ME1200432	0.00	1.13	2.47
R-ipsdienol	ME1200667	0.00	1.13	2.47
Fistuloside C	ME1200258	0.00	1.18	2.42
Hibiscitrin Esi+5.9015	ME1200334	0.00	1.16	2.44
PA(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z)) Esi+24.468746	ME1200506	0.34	0.67	2.39
Stepronin	ME1200700	0.36	0.75	2.29
PA(P-16:0/20:4(5Z,8Z,11Z,14Z))	ME1200505	0.40	0.70	2.26
PI(22:2(13Z,16Z)/18:1(9Z))	ME1200619	0.40	0.68	2.28
Glu-Val Esi+1.6894708	ME1200306	0.33	1.09	1.98
L-Nicotianine	ME1200387	0.33	1.01	2.07
N2-Acetyl-L-aminoadipyl-?-phosphate	ME1200453	0.27	1.06	2.11
Saphenic acid methyl ester	ME1200675	0.25	1.13	2.07
Ala Arg Pro	ME1200075	0.39	1.00	1.98
nor-NOHA	ME1200485	0.43	0.97	1.94
Ile Val Gly	ME1200354	0.49	1.00	1.81
Clodinafop-propargyl	ME1200173	0.42	1.10	1.83
Succinic anhydride	ME1200701	0.44	1.07	1.82
Dodecylguanidine	ME1200233	0.69	0.25	2.24
TG(15:0/19:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	ME1200712	0.56	0.36	2.34
Methylnitrosourea	ME1200427	0.61	0.27	2.36
Prostalidin A	ME1200649	0.63	0.25	2.34
Talatizamine	ME1200708	0.88	0.00	2.19
(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne	ME1199873	0.88	0.00	2.19
Glu Glu Thr	ME1200299	0.88	0.00	2.19
Isopeonidin 3-glucoside	ME1200360	0.89	0.00	2.17
2-Naphthaldehyde Esi+3.7302728	ME1199971	0.89	0.00	2.18
N-Hydroxy-L-tryptophan	ME1200476	0.89	0.00	2.18
Vanillin 3-(L-menthoxy)propane-1,2-diol acetal	ME1200760	0.84	0.00	2.26
Hydroxydoxepin M1-glucuronide	ME1200341	0.84	0.00	2.25
L-365260	ME1200373	0.84	0.00	2.25
1-Chloro-2,2-bis(4^-chlorophenyl)ethane	ME1199929	0.86	0.00	2.23
Fluocinolone	ME1200262	0.86	0.00	2.22
Wybutoxine Esi+5.58223	ME1200762	0.86	0.00	2.22
Ile Val Gly Esi+7.5703855	ME1200353	0.85	0.00	2.24
N-Ornithyl-L-taurine	ME1200483	0.85	0.00	2.23
Marmesin rutinoside Esi+7.7258463	ME1200412	0.90	0.00	2.16
1,4-Dibenzylpiperazine	ME1199906	0.91	0.00	2.15
m-Trifluoromethylhippuric acid Esi+11.165693	ME1200435	0.91	0.00	2.14
Simulanoquinoline	ME1200689	0.91	0.00	2.14
PC(22:1(11Z)/18:0)	ME1200525	0.94	0.00	2.10
4,4^-Diapolycopene	ME1199992	0.93	0.00	2.10
Ala Thr Lys	ME1200077	0.93	0.00	2.11
Enoximone sulfone	ME1200243	0.93	0.00	2.11
2^-Hydroxygenistein 7-(6^^-malonylglucoside)	ME1199967	0.93	0.00	2.12
Sphingofungin B Esi+11.181333	ME1200696	0.92	0.00	2.13
Gluconapoleiferin	ME1200302	0.92	0.00	2.13
N-palmitoyl serine	ME1200489	0.92	0.00	2.13
m-Trifluoromethylhippuric acid	ME1200436	0.99	0.00	2.02
Sarmentoside B	ME1200676	0.99	0.00	2.02
1-L-Leucyl-L-Proline Esi+8.3825	ME1199932	0.95	0.00	2.08
Sultopride	ME1200706	0.95	0.00	2.07
Antirrhinoside	ME1200093	0.97	0.00	2.05
Phaclofen	ME1200606	0.96	0.00	2.06
4^-Chloro-2-hydroxyaurone	ME1200005	0.74	0.00	2.42
Gly-Gly-OH	ME1200317	0.76	0.00	2.38
Polyfungin B (Nystatin A1, 10-deoxy-35-O-(2,6-dideoxy-L-ribo-hexopyranosyl)-)	ME1200632	0.76	0.00	2.38
4-Fluorophenylacetic acid	ME1200009	0.75	0.00	2.39
Matsutakeside I	ME1200413	0.75	0.00	2.39
Urolithin C Esi+3.7803338	ME1200750	0.75	0.00	2.40
PS(22:0/22:0)	ME1200652	0.75	0.00	2.40
(S)-N-Methylcanadine	ME1199884	0.75	0.00	2.40
Mebrofenin Esi+4.441308	ME1200415	0.81	0.00	2.31
Delcosine	ME1200198	0.83	0.00	2.28
Urolithin C	ME1200749	0.82	0.00	2.29
Gamma-glutamyl-Cysteine	ME1200280	0.82	0.00	2.29
4-Carboxy-4-hydroxy-2-oxoadipate	ME1200003	0.82	0.00	2.29
alpha-Amyrin cerotate Esi+21.080252	ME1200087	0.82	0.00	2.29
5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate	ME1200025	0.78	0.00	2.35
PIP2(16:0/22:5(4Z,7Z,10Z,13Z,16Z))	ME1200622	0.78	0.00	2.36
5-(4-Acetoxy-3-oxo-1-butynyl)-2,2^-bithiophene Esi+5.6459	ME1200015	0.79	0.00	2.34
Gadoversetamide	ME1200271	0.79	0.00	2.34
Polyethylene, oxidized Esi+1.231154	ME1200630	0.80	0.00	2.32
TrHA	ME1200731	0.80	0.00	2.33
Cinnamyl isobutyrate	ME1200163	0.64	0.00	2.57
3,6-Ditigloyloxytropan-7-ol	ME1199980	0.65	0.00	2.56
TG(14:0/18:2(9Z,12Z)/22:3(10Z,13Z,16Z))[iso6]	ME1200709	0.65	0.00	2.56
Dihydroneopterin phosphate	ME1200219	0.62	0.00	2.61
PE(17:1(9Z)/22:4(7Z,10Z,13Z,16Z))	ME1200573	0.63	0.00	2.59
4-Fluorophenylacetic acid Esi+5.6459994	ME1200008	0.68	0.00	2.52
Sulfamerazine Esi+1.8299232	ME1200704	0.67	0.00	2.53
Kinetin-9-N-glucoside	ME1200368	0.71	0.00	2.46
Chlorpropamide	ME1200158	0.70	0.00	2.48
5^-S-Methyl-5^-thioinosine	ME1200029	0.69	0.00	2.49
PC(22:1(11Z)/19:0)	ME1200526	0.69	0.00	2.50
Selenocysteine	ME1200685	0.69	0.00	2.50
Cer(d20:0/20:0)	ME1200151	0.32	0.00	3.08
Ile Cys His	ME1200349	0.31	0.00	3.10
[6]-Gingerdiol 5-acetate	ME1199891	0.23	0.00	3.24
Cer(d20:0/20:0) 20.95133	ME1200150	0.24	0.00	3.21
4,4^-Methylene bis(2-methylaniline)	ME1199993	0.42	0.26	2.66
N5-Hexanoylspermidine	ME1200455	0.45	0.26	2.62
Lys Leu Arg	ME1200397	0.45	0.00	2.89
1-L-Leucyl-L-Proline	ME1199931	0.41	0.00	2.95
N-Desmethylaminopyrine	ME1200467	0.41	0.00	2.94
(3-Aminopropoxy)guanidine Esi+6.7845	ME1199856	0.42	0.00	2.92
ecdysone palmitate	ME1200240	0.42	0.00	2.93
Nicotine glucuronide	ME1200477	0.60	0.00	2.64
A2E	ME1200068	0.57	0.00	2.69
Artonol E	ME1200101	0.58	0.00	2.68
Ruscopine	ME1200670	0.58	0.00	2.68
N-Hydroxyl-tryptamine Esi+0.9645001	ME1200475	0.51	0.00	2.78
PA(22:2(13Z,16Z)/22:0)	ME1200502	0.55	0.00	2.73
Herculin Esi+8.03475	ME1200331	0.55	0.00	2.72
Sulfadimethoxine	ME1200702	0.55	0.00	2.72
TG(18:4(6Z,9Z,12Z,15Z)/20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[iso6] Esi+23.74885	ME1200716	0.53	0.00	2.75
Carbadox	ME1200138	0.54	0.00	2.74
Citrusin C	ME1200170	0.54	0.00	2.74
(4OH,8Z,t18:1) sphingosine 12.047142	ME1199865	1.06	0.00	1.90
Precorrin 2	ME1200634	1.06	0.00	1.90
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole Esi+1.797333	ME1199895	1.05	0.00	1.91
Oxfendazole	ME1200498	1.06	0.00	1.91
Anastatin B	ME1200091	1.06	0.00	1.91
Herculin 9.157333	ME1200332	1.06	0.00	1.91
2-Hexylbenzothiazole	ME1199964	1.01	0.00	1.98
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate Esi+4.862929	ME1200671	1.02	0.00	1.97
N-arachidonoyl histidine	ME1200464	1.02	0.00	1.97
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate	ME1200673	1.02	0.00	1.97
(?-Conen	ME1199845	1.04	0.00	1.94
Isopenicillin N	ME1200359	1.03	0.00	1.95
Val Gly Val	ME1200755	1.03	0.00	1.96
Monobenzone	ME1200433	1.19	0.00	1.70
beta-D-Galactopyranosyl-(1-4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1-6)-D-mannose	ME1200120	1.17	0.00	1.72
Met-Tyr-OH Esi+7.1282134	ME1200428	1.18	0.00	1.72
Granisetron	ME1200325	1.13	0.00	1.80
Chlorprothixene	ME1200159	1.13	0.00	1.79
L-gamma-Glutamyl-beta-phenyl-beta-L-alanine	ME1200384	1.13	0.00	1.79
Canescein	ME1200136	1.15	0.00	1.76
2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline	ME1199959	1.14	0.00	1.78
Patuletin 3,3^-di-O-sulfate	ME1200510	1.14	0.00	1.77
Cysteic acid	ME1200187	1.11	0.00	1.82
4-Aminohippurate	ME1200002	1.10	0.00	1.85
9,10-Dihydroxyanthracene Esi+7.184999	ME1200058	1.10	0.00	1.84
Phosphoguanidinoacetate	ME1200616	1.10	0.00	1.84
Thiourocanic acid Esi+1.9739443	ME1200723	1.09	0.00	1.85
Ximelagatran	ME1200764	1.09	0.00	1.86
Phlegmarine Esi+11.069538	ME1200614	1.09	0.00	1.86
Asp Asn Gln	ME1200104	1.09	0.00	1.86
p-Chloroacetoacetanilide	ME1200559	1.09	0.00	1.86
2,4-Dodecadienoic acid pyrrolidide	ME1199946	1.27	0.19	1.37
(R)-(+)-2-Pyrrolidone-5-carboxylic acid Esi+0.8976667	ME1199878	1.29	0.00	1.53
Trilobolide	ME1200735	1.29	0.00	1.54
Eriojaposide B Esi+7.1006417	ME1200249	1.26	0.00	1.58
6,3^,4^-Trihydroxy-4-methoxy-7-methylaurone	ME1200032	1.27	0.00	1.56
E-64	ME1200239	1.27	0.00	1.56
Benzoylagmatine	ME1200116	1.27	0.00	1.57
S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate Esi+11.038077	ME1200672	1.27	0.00	1.57
N(6)-(Octanoyl)lysine	ME1200447	1.21	0.00	1.66
9S,10S,11R-trihydroxy-12Z-octadecenoic acid	ME1200066	1.23	0.00	1.63
Sphingofungin B	ME1200697	1.23	0.00	1.63
Ondansetron	ME1200496	1.24	0.00	1.62
dTDP-5-dimethyl-L-lyxose	ME1200237	1.24	0.00	1.62
Magnesium protoporphyrin monomethyl ester	ME1200407	1.24	0.00	1.62
4a-Hydroxymethyl-4b-methyl-5a-cholesta-8,24-dien-3b-ol Esi+22.366125	ME1199998	1.42	0.00	1.32
Pro Pro Asn	ME1200644	1.42	0.00	1.33
Bisosthenon B	ME1200125	1.46	0.00	1.26
PI(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	ME1200618	1.45	0.00	1.28
Frovatriptan	ME1200268	1.38	0.00	1.40
Quinoline yellow	ME1200662	1.39	0.00	1.37
2-(4-Methyl-5-thiazolyl)ethyl isobutyrate	ME1199938	1.38	0.00	1.38
Gly Cys Pro	ME1200307	1.38	0.00	1.38
9H-Carbazole-3-carboxaldehyde	ME1200063	1.31	0.00	1.50
Gln Gln Ile	ME1200295	1.32	0.00	1.49
Lys Thr Gln	ME1200398	1.32	0.00	1.49
Cefazolin	ME1200143	1.36	0.00	1.42
Gly-Asn-OH	ME1200311	1.33	0.00	1.47
4-Hydroxyglucobrassicin	ME1200012	1.35	0.00	1.45
Pro Pro Asn Esi+5.2009997	ME1200642	1.34	0.00	1.45
Cyclobrassinin	ME1200185	0.92	0.32	1.81
(Z)-Tamarindienal Esi+1.2446957	ME1199887	0.88	0.36	1.84
Carisoprodol	ME1200140	0.75	0.47	1.93
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))	ME1200620	0.79	0.46	1.88
13(1)-Oxo-magnesium-protoporphyrin IX 13-monomethyl ester	ME1199916	0.53	0.83	1.92
PG(P-18:0/14:1(9Z))	ME1200603	0.52	0.79	1.99
2-DPMP	ME1199962	0.59	0.62	2.03
dTDP-3,4-dioxo-2,6-dideoxy-L-glucose	ME1200236	0.62	0.57	2.04
Chlorpromazine sulfone	ME1200157	0.56	0.67	2.05
PA(P-16:0/18:4(6Z,9Z,12Z,15Z))	ME1200504	0.58	0.70	1.97
N-dodecanoyl-L-Homoserine lactone-3-hydrazone-fluorescein	ME1200469	0.59	0.91	1.75
2,3-di-0-hexanoyl-alpha-glucopyranose	ME1199943	0.64	0.90	1.68
Azafenidin	ME1200110	0.64	0.89	1.69
Glu-Val Esi+1.697	ME1200305	0.63	0.88	1.72
N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine	ME1200456	0.64	0.85	1.72
4-Methoxycinnamic acid	ME1200013	0.52	0.91	1.86
7-chlorothieno[2,3-c]Pyridine	ME1200047	0.59	0.83	1.82
benzyl 4-(1,3-dioxoisoindolin-2-yl)-2^,2^-dimethyl-3^,5-dioxo-2^,3^,4,5-tetrahydro-3H-spiro[furan-2,9^-imidazo[1,2-a]indole]-1^(9a^H)-carboxylate	ME1200118	0.59	0.85	1.81
13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid	ME1199919	0.66	0.63	1.92
N,N-diisopropyl-3-nitrobenzamide	ME1200449	0.72	0.58	1.87
1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol	ME1199936	0.67	0.76	1.76
His Ile Gln	ME1200335	0.74	0.67	1.75
Lys Asn Ser Esi+7.340061	ME1200395	0.70	0.69	1.79
PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))	ME1200503	0.72	0.65	1.80
2-Hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoate	ME1199966	0.81	0.57	1.73
Schleicherastatin 5 Esi+22.60823	ME1200680	0.78	0.74	1.62
Urolithin A-3-O-glucuronide	ME1200748	0.82	0.70	1.58
PS(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	ME1200651	0.74	0.74	1.68
Benzethonium	ME1200115	0.80	0.67	1.66
cis-Murisolinone	ME1200167	0.78	0.65	1.70
Dodecanoylcarnitine	ME1200232	0.68	0.92	1.60
thio-Miltefosine	ME1200721	0.69	0.98	1.52
Cybutryne	ME1200184	0.79	0.92	1.42
Eriocarpin	ME1200248	0.77	0.80	1.57
(?-2-Pentylthiazolidine	ME1199844	0.78	0.84	1.52
Starch acetate	ME1200699	0.75	0.89	1.51
Jasplakinolide	ME1200364	0.86	0.73	1.50
Daphnetoxin	ME1200194	0.85	0.82	1.42
Sulfamoxole Esi+4.4203005	ME1200705	0.91	0.85	1.29
1-(2-Hydroxyethyl)-2-hydroxymethyl-5-nitroimidazole Esi+1.7873334	ME1199894	0.91	0.79	1.36
Ser Gln Gln	ME1200687	0.91	0.79	1.35
8-Acetoxy-4^-methoxypinoresinol 4-glucoside	ME1200054	1.05	0.66	1.26
Ergosine	ME1200247	1.09	0.62	1.24
Leflunomide	ME1200379	1.03	0.56	1.38
Scutianine F	ME1200683	1.08	0.54	1.34
Mammea B/AC	ME1200409	0.99	0.65	1.37
Naphazoline	ME1200463	0.97	0.67	1.37
Thr Thr Gly Esi+7.3714128	ME1200727	0.97	0.68	1.37
Gln Cys Gln	ME1200293	0.95	0.58	1.50
2-Methoxyestradiol-17? 3-sulfate	ME1199970	0.97	0.59	1.45
Fosinopril	ME1200267	0.99	0.61	1.41
Nervonoylacetone	ME1200472	1.11	0.41	1.42
1-Phenanthrol	ME1199935	1.19	0.32	1.38
Medicagenic acid beta-maltoside	ME1200417	1.15	0.35	1.41
Deterrol	ME1200204	0.98	0.41	1.63
22:1 Sitosteryl ester	ME1199952	1.03	0.36	1.58
(Ac)2-L-Lys-D-Ala	ME1199872	1.05	0.37	1.54
1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate	ME1199930	1.06	0.41	1.50
Naloxol Esi+5.1059046	ME1200461	1.10	0.35	1.50
Navenone B	ME1200465	1.86	0.63	0.00
6-Hydroxysandoricin	ME1200041	1.65	0.96	0.00
Alloxan	ME1200084	1.68	0.91	0.00
6-(1-Hydroxyethyl)-2,2-dimethyl-2H-1-benzopyran	ME1200030	1.46	1.26	0.00
1,2,4-Triazole-3-alanine	ME1199901	1.55	1.12	0.00
Hydrazinopthalazinone	ME1200340	1.57	1.09	0.00
pentanamide	ME1200591	0.72	1.85	0.59
Deazaflavin	ME1200195	0.98	2.03	0.00
Spectinomycin adenylate	ME1200695	1.05	1.92	0.00
S,S-Dimethyl-beta-propiothetin	ME1200674	1.36	1.43	0.00
1,17-Heptadecanediol	ME1199899	1.21	1.66	0.00
Pyrazinemethanethiol Esi+15.861362	ME1200657	1.26	1.59	0.00
Goshonoside F5	ME1200323	0.40	1.36	1.60
PA(12:0/14:0)	ME1200500	0.44	1.22	1.68
2-Naphthaldehyde	ME1199972	0.47	1.21	1.64
(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid	ME1199861	0.48	1.21	1.62
Quasiprotopanaxatriol	ME1200660	0.58	1.10	1.57
Cinnamoside	ME1200162	0.50	1.28	1.53
Dihydroxymelphalan	ME1200221	0.49	1.30	1.52
Prostaglandin D2-d9	ME1200648	0.61	1.19	1.44
DG(19:1(9Z)/21:0/0:0)[iso2]	ME1200208	0.56	1.26	1.44
N-(1-Deoxy-1-fructosyl)phenylalanine	ME1200443	0.54	1.25	1.48
TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/19:1(9Z))[iso6]	ME1200714	0.55	1.24	1.47
PG(O-16:0/12:0)	ME1200602	0.63	1.25	1.35
Gly-Asn-OH Esi+3.851565	ME1200309	0.70	1.23	1.24
PE-NMe(18:1(9E)/18:1(9E)) Esi+23.971703	ME1200589	0.65	1.30	1.26
Acetoxyacetone	ME1200069	0.61	1.45	1.17
2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one	ME1199944	0.46	1.47	1.40
PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)	ME1200536	0.46	1.44	1.42
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))	ME1200544	0.54	1.44	1.30
PE(12:0/18:1(9Z))	ME1200563	0.52	1.47	1.29
Docosanamide Esi+21.941946	ME1200231	0.35	1.55	1.50
N-Acetyl-O-demethylpuromycin Esi+23.762783	ME1200459	0.28	1.62	1.53
L-Homoserine lactone	ME1200386	0.26	1.88	1.31
Cannabidiol dimethyl ether	ME1200137	0.53	1.66	1.08
Leucyl-Isoleucine	ME1200383	0.53	1.68	1.08
2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-?-methyl-	ME1199976	0.38	1.81	1.18
D-(-)-Lyxose	ME1200188	0.37	1.70	1.31
Gentianadine	ME1200288	0.44	1.68	1.22
15(S)-Latanoprost	ME1199920	1.03	0.81	1.14
Dehydroxyoxitropium	ME1200197	1.01	0.79	1.20
PC(P-17:0/0:0)	ME1200556	1.03	0.75	1.19
Sparfloxacin	ME1200694	1.13	0.79	1.00
Periandrin III	ME1200593	1.06	0.86	1.05
Gamma-glutamyl-Valine	ME1200283	1.10	0.78	1.07
Sulfamerazine	ME1200703	1.07	0.81	1.07
Pro Pro	ME1200641	1.35	0.43	1.01
4-Amino-2-methyl-1-naphthol	ME1199999	1.37	0.37	1.03
Schleicherastatin 5 Esi+21.802217	ME1200681	1.37	0.37	1.03
Longistylin C	ME1200388	1.30	0.33	1.19
4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin	ME1199996	1.32	0.38	1.11
N-Hexadecanoylpyrrolidine	ME1200474	1.31	0.37	1.14
Quercetin 3-rhamnoside-3^-sulfate	ME1200661	1.28	0.58	0.98
Met Lys His	ME1200421	1.32	0.53	0.96
Tyr Asn Ser	ME1200743	1.32	0.52	0.97
Flavanone 7-O-[alpha-L-rhamnosyl-(1-2)-beta-D-glucoside]	ME1200259	1.29	0.47	1.06
Dinoterb	ME1200227	1.27	0.49	1.09
Norchelerythrine	ME1200482	1.27	0.51	1.06
1alpha,3beta,22R-Trihydroxyergosta-5,24E-dien-26-oic acid 3-O-b-D-glucoside 26-O-[b-D-glucosyl-(1-2)-b-D-glucosyl] ester	ME1199927	1.24	0.48	1.13
alpha-Amyrin cerotate	ME1200086	1.20	0.54	1.13
7-Hydroxy-2-methyl-4-oxo-4H-1-benzopyran-5-acetic acid	ME1200050	1.20	0.61	1.07
Gniditrin	ME1200322	1.20	0.62	1.06
(3E,5Z)-1,3,5-Tridecatriene-7,9,11-triyne Esi+1.7902498	ME1199859	1.19	0.65	1.04
Angustine	ME1200092	1.20	0.65	1.03
2-Hexylthiophene	ME1199965	1.20	0.66	1.01
Eugenin	ME1200256	1.22	0.65	1.01
Isosalsolidine	ME1200361	1.12	0.64	1.16
Curacin A	ME1200180	1.14	0.63	1.15
Clausarinol	ME1200171	1.13	0.62	1.17
(E,E)-4,4^^-Bi(N-4-hydroxycinnamoylserotonin)	ME1199876	1.14	0.61	1.16
a-L-Fucopyranosyl-(1-2)-b-D-galactopyranosyl-(1-2)-D-xylose	ME1200082	1.16	0.61	1.14
Portulacaxanthin III	ME1200633	1.18	0.59	1.13
N(alpha)-t-Butoxycarbonyl-L-leucine	ME1200448	1.17	0.64	1.09
(6beta,22E)-6-Hydroxystigmasta-4,22-dien-3-one	ME1199868	1.16	0.65	1.11
Naloxol	ME1200462	1.16	0.64	1.10
Gniditrin Esi+8.392601	ME1200321	1.12	0.69	1.13
Myxothiazol Z	ME1200441	1.14	0.68	1.10
5-Fluorouridine monophosphate	ME1200024	1.23	0.43	1.21
Prolyl-Lysine	ME1200647	1.22	0.42	1.24
Carbomycin	ME1200139	1.12	0.55	1.25
D-4-Hydroxy-2-oxoglutarate	ME1200190	1.15	0.50	1.25
Avadharidine	ME1200109	1.17	0.50	1.22
Cer(t20:0/20:0) Esi+20.136732	ME1200153	1.17	0.52	1.21
1-Methoxyphenanthrene	ME1199933	1.23	0.86	0.77
Formononetin 7-O-rutinoside	ME1200265	1.23	0.83	0.79
Asn Gln Glu	ME1200102	1.28	0.78	0.77
Carnitine	ME1200141	1.33	0.74	0.73
(S1)-Methoxy-3-heptanethiol	ME1199886	1.16	0.85	0.89
Schleicherastatin 5	ME1200682	1.21	0.76	0.91
(?-Mevalonic acid 5-phosphate	ME1199847	1.22	0.69	0.96
Gamma-glutamyl-Glutamate	ME1200281	1.24	0.70	0.92
Mefenacet	ME1200419	1.23	0.71	0.92
Armillarivin	ME1200099	1.28	0.69	0.86
Cyanidin 3-(4-acetylglucoside)	ME1200181	1.26	0.77	0.82
Dihydrocodeine-6-glucuronide	ME1200217	1.25	0.74	0.86
Phencyclidine	ME1200609	1.49	0.59	0.63
Dihydro-3-hydroxy-3-(1-hydroxyethyl)-4-methylfuran-2(3H)-one	ME1200215	1.50	0.52	0.67
Ile Gln Cys	ME1200351	1.53	0.49	0.67
11-Dehydrodexamethasone	ME1199912	1.35	0.65	0.80
Penicillenic acid	ME1200588	1.36	0.61	0.81
5a-Dihydrotestosterone sulfate	ME1200021	1.41	0.63	0.71
Ethyl 4-phenylbutanoate	ME1200253	1.41	0.59	0.75
1,8-Diazacyclotetradecane-2,9-dione Esi+7.802308	ME1199909	1.49	0.37	0.85
Vignatic acid A	ME1200761	1.48	0.46	0.77
Rhizocticin B	ME1200665	1.43	0.51	0.81
Austalide L	ME1200108	1.41	0.48	0.87
PG(6:0/6:0)	ME1200600	1.39	0.52	0.85
Apigenin 7-[p-coumaroyl-(-2)-[glucuronyl-(1-3)]-glucuronyl-(1-2)-glucuronide]	ME1200094	1.37	0.81	0.60
Eupolauridine	ME1200257	1.42	0.83	0.50
1,8-Diazacyclotetradecane-2,9-dione	ME1199908	1.16	1.17	0.59
Glu His Trp	ME1200301	1.14	1.16	0.61
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid	ME1200385	1.24	0.99	0.62
2-Protocatechoylphloroglucinolcarboxylate	ME1199975	1.28	0.96	0.58
Thr Glu Tyr	ME1200725	1.28	0.95	0.60
2,5-Dihydro-2,4-dimethyloxazole	ME1199947	1.27	1.09	0.48
Herculin	ME1200330	1.29	1.05	0.48
Isobutyrylmallotochromene	ME1200357	1.21	1.10	0.56
Prupaside	ME1200650	1.24	1.09	0.52
Ritipenem acoxil Esi+3.22755	ME1200668	1.02	1.43	0.53
1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione	ME1199898	1.24	1.28	0.33
N-Nitrosothiazolidine-4-carboxylic acid	ME1200480	1.26	1.28	0.30
6-Hydroxyindole	ME1200039	0.74	1.31	1.11
Thiourocanic acid	ME1200722	0.75	1.34	1.06
Urolithin C Esi+3.7696095	ME1200751	0.76	1.32	1.06
Cer(d14:1(4E)/18:1(9Z)(2OH))	ME1200144	0.81	1.39	0.91
Buformin	ME1200133	0.81	1.32	0.98
Gniditrin Esi+8.391802	ME1200320	0.84	1.26	0.99
Pyrantel	ME1200656	0.78	1.51	0.84
(+)-Quebrachidine	ME1199849	0.68	1.54	0.96
Tiaprost	ME1200729	1.06	1.05	0.85
Kuwanon R Esi+8.39237	ME1200372	1.03	1.04	0.92
3-beta-hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carbaldehyde	ME1199982	1.01	1.01	0.98
3-Deoxyvitamin D3	ME1199984	1.00	1.02	0.99
Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))	ME1200275	1.03	1.00	0.96
PE(16:0/18:1(13Z))[U]	ME1200567	1.02	0.99	0.97
PE(22:1(11Z)/22:0)	ME1200578	1.06	0.99	0.92
Tuberoside J	ME1200741	1.10	0.96	0.89
Uscharidin	ME1200752	1.08	0.96	0.91
Lymecycline Esi+8.240849	ME1200393	1.08	0.98	0.89
PG(14:0/18:2(9Z,12Z))	ME1200597	1.08	0.97	0.90
Randilongin	ME1200664	1.06	0.93	0.97
Kanzonol K	ME1200367	1.12	0.92	0.90
13E-Docosenamide	ME1199918	1.10	0.91	0.93
4a-Hydroxymethyl-4b-methyl-5a-cholesta-8,24-dien-3b-ol	ME1199997	1.11	0.89	0.94
Ala Ala Pro	ME1200073	1.02	1.15	0.82
Secobarbital	ME1200684	1.05	1.12	0.80
2-amino-14,16-dimethyloctadecan-3-ol	ME1199958	1.03	1.18	0.77
Malyngamide L	ME1200408	1.08	1.15	0.72
Pyro-L-glutaminyl-L-glutamine Esi+0.7897499	ME1200659	1.06	1.16	0.75
(2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one	ME1199854	1.14	0.95	0.82
Isomigrastatin	ME1200358	1.16	1.01	0.73
gamma-carboxyglutamic acid	ME1200279	1.12	1.04	0.76
Tridodecylamine Esi+19.624466	ME1200734	1.14	1.01	0.77
Glucosylceramide (d18:1/16:0)	ME1200304	0.88	1.12	1.06
Globomycin	ME1200298	0.92	1.10	1.04
Hexadecyl ferulate	ME1200333	0.91	1.10	1.03
9,10-Dihydroxyanthracene	ME1200059	0.91	1.13	1.02
PC(22:2(13Z,16Z)/12:0)	ME1200527	0.90	1.14	1.03
DL-Cycloserine	ME1200230	0.97	1.05	1.00
6?-Hydroxy-3-oxo-5?-cholan-24-oic Acid	ME1200034	0.94	1.08	1.02
(E,E)-4,4^^-Bi(N-4-hydroxycinnamoylserotonin) Esi+8.097638	ME1199877	0.94	1.06	1.04
Kaempferol 3-(3^^-acetyl-6^^-p-coumaroylglucoside)	ME1200365	0.94	1.20	0.90
(+)-Syringaresinol O-beta-D-glucoside	ME1199850	0.95	1.17	0.91
24,25-Epoxy-cholesterol	ME1199954	0.89	1.20	0.98
Idebenone Metabolite (1,4-Benzenediol, 2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-) Esi+10.303719	ME1200345	0.93	1.16	0.95
(24R)-1?,25-dihydroxy-24-methylvitamin D3 /(24R)-1?,25-dihydroxy-24-methylcholecalciferol	ME1199853	0.93	1.12	0.99
PD 166326	ME1200562	0.92	1.15	0.98
Lymecycline	ME1200392	1.01	0.93	1.06
Sildenafil	ME1200688	0.95	0.92	1.16
Ptelatoside A	ME1200655	0.96	0.95	1.11
Tiaprost Esi+6.3990006	ME1200730	0.96	0.95	1.12
Genistein 7-O-glucuronide	ME1200287	0.91	0.96	1.19
7H-Dibenzo[c,g]carbazole	ME1200049	0.92	0.92	1.20
Saxitoxin	ME1200678	0.89	0.95	1.22
6-Benzylaminopurine	ME1200035	0.90	0.93	1.23
Gln Gln Ile Esi+5.5458946	ME1200296	0.90	0.94	1.22
Musabalbisiane C	ME1200438	0.86	1.06	1.17
(3Z)-Phytochromobilin	ME1199863	0.89	1.01	1.16
Herbacetin 8,4^-dixyloside	ME1200328	0.88	1.03	1.16
24,24-difluoro-1?,25-dihydroxyvitamin D3 / 24,24-difluoro-1?,25-dihydroxycholecalciferol	ME1199953	0.76	1.13	1.25
Gamma-glutamyl-Valine Esi+4.473241	ME1200284	0.84	1.13	1.12
Pirbuterol	ME1200624	2.25	0.00	0.00
Azoxy-1-procarbazine	ME1200111	2.25	0.00	0.00
Cotarnine	ME1200178	2.25	0.00	0.00
PF-622	ME1200596	1.45	0.23	1.05
Moricizine sulfone	ME1200434	1.71	0.00	0.86
cis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid	ME1200166	1.73	0.00	0.84
Leonuridine Esi+5.2288094	ME1200380	1.73	0.00	0.83
TG(17:2(9Z,12Z)/18:3(9Z,12Z,15Z)/19:1(9Z))[iso6] Esi+23.744663	ME1200713	1.65	0.00	0.95
Leonuridine	ME1200381	1.68	0.00	0.92
Pro Pro Asn Esi+5.2347775	ME1200643	1.69	0.00	0.90
Endomorphin-1	ME1200241	1.59	0.00	1.06
6,8,10,12-pentadecatetraenal	ME1200033	1.61	0.00	1.02
Cucumerin A	ME1200179	1.61	0.00	1.02
L-Arginine phosphate	ME1200377	1.62	0.00	1.00
Atractylodin	ME1200107	1.62	0.00	1.01
PC(2:0/2:0)[U]	ME1200519	1.62	0.00	1.01
Imide	ME1200355	1.52	0.00	1.17
PG(6:0/6:0) Esi+6.6789565	ME1200601	1.52	0.00	1.16
5-Acetyl-2,4-dimethylthiazole	ME1200020	1.57	0.00	1.09
1-Benzyl-1,2,3,4-tetrahydroisoquinoline	ME1199928	1.54	0.00	1.14
Dihydro-4,6-dimethyl-2-(1-methylethyl)-4H-1,3,5-dithiazine	ME1200216	1.55	0.00	1.12
TG(14:0/20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6]	ME1200710	1.55	0.00	1.13
Benzthiazide	ME1200117	1.56	0.00	1.11
Roxatidine acetate	ME1200669	1.55	0.00	1.11
12alpha-Hydroxy-13,18-dehydroparain	ME1199915	1.55	0.00	1.11
Gly Val Pro	ME1200308	1.55	0.00	1.11
Ile Gln	ME1200350	1.88	0.00	0.60
7-Hydroxytrifluoperazine glucuronide	ME1200051	1.91	0.00	0.54
Leu Ile Gln	ME1200382	1.92	0.00	0.54
GYKI 52895	ME1200326	1.71	0.32	0.55
Bisbynin	ME1200124	1.80	0.28	0.44
Norselic acid A	ME1200487	1.80	0.32	0.39

Factors:

F1	Sample source:Mouse blood \| treatment:Ethanol
F2	Sample source:Mouse blood \| treatment:Ethanol+Honey
F3	Sample source:Mouse blood \| treatment:Ethanol+Sugar

Data matrix