Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003087)

(Analysis AN005048)

Metabolite	Structure	F1	F2
MW_398.24318@RT_1.731	ME805314	1.79	0.37
MW_471.33263@RT_1.728	ME805323	1.79	0.37
C17 H33 N P2	ME804804	1.74	0.41
Isocarboxazid	ME805205	1.72	0.42
C25 H54 N9 O3 P S	ME804963	1.70	0.44
MW_563.35169@RT_1.982	ME805330	1.68	0.45
MW_651.40414@RT_1.940	ME805332	1.67	0.46
YR0513000	ME805470	1.22	0.82
pseudouridine	ME805434	1.22	0.82
Prolylglycine	ME805430	1.22	0.82
phenylalanine	ME805412	1.22	0.82
MW_868.36550@RT_1.661	ME805347	1.22	0.82
MW_83.03722@RT_9.319 (2)	ME805346	1.22	0.82
MW_368.24245@RT_12.683	ME805309	1.22	0.82
MW_309.10593@RT_8.703	ME805302	1.22	0.82
MW_242.09030@RT_10.631	ME805277	1.22	0.82
MW_143.10600@RT_15.220	ME805246	1.22	0.82
L-Lysine lactam	ME805217	1.22	0.82
Coumarin	ME805107	1.22	0.82
C9 H24 Br N6 P3	ME804969	1.22	0.82
C8 H17 Cl N O P S2	ME804749	1.22	0.82
C7 H O15 P	ME804659	1.22	0.82
C7 H21 Cl N9 P3 S	ME804951	1.22	0.82
C7 H18 N2 O8 P2	ME804904	1.22	0.82
C6 H3 N8 O12 P3 S	ME804685	1.22	0.82
C6 H2 N6 O7 P2	ME804658	1.22	0.82
C5 H4 N4 O16 P2	ME804671	1.22	0.82
C4 H2 N2 O15 P2	ME804668	1.22	0.82
C4 H11 N10 O2 P	ME804983	1.22	0.82
C3 H N6 O7 P3 S	ME804665	1.22	0.82
C3 H4 N6 O16 P2 S2	ME804690	1.22	0.82
C13 H25 N3 O4	ME804755	1.22	0.82
C11 H16 Br P	ME804837	1.22	0.82
2-naphthyl beta-D-glucoside	ME805031	1.22	0.82
C10 H4 N8 O17 S	ME804725	1.22	0.82
Piracetam	ME805418	1.23	0.81
DL-Stachydrine (2)	ME805149	1.23	0.81
Creatinine (2)	ME805112	1.23	0.81
C7 H7 N2 O P	ME804917	1.23	0.81
C5 H N8 O17 P3 S	ME804703	1.23	0.81
C4 H5 N7 O S	ME804851	1.23	0.81
C4 H2 N2 O	ME804688	1.23	0.81
C4 H13 Br N10 P2	ME804980	1.23	0.81
4-Hydroxybenzaldehyde	ME805047	1.23	0.81
5-Methylcytidine	ME805060	1.23	0.81
Uncinatone	ME805463	1.23	0.82
tyrosine	ME805462	1.23	0.82
taurine	ME805449	1.23	0.82
p-aminobenzoate	ME805403	1.23	0.82
N-Propanoylimidazole	ME805378	1.23	0.82
N-Benzylformamide	ME805375	1.23	0.82
MW_436.30465@RT_1.782	ME805318	1.23	0.82
MW_308.15833@RT_10.378	ME805301	1.23	0.82
MW_297.18000@RT_12.509	ME805294	1.23	0.82
MW_259.16439@RT_13.838	ME805285	1.23	0.82
Homo-L-arginine	ME805191	1.23	0.82
GLUTAMINE (3)	ME805169	1.23	0.82
Creatinine degenerate	ME805113	1.23	0.82
C8 H20 N4 O6 P2	ME804833	1.23	0.82
C7 H9 N6 O7 P3 S	ME804706	1.23	0.82
C6 H5 N2 O16 P3 S	ME804694	1.23	0.82
C5 H N4 O18 P3 S	ME804687	1.23	0.82
C4 H15 N3 O3 P2	ME804869	1.23	0.82
C20 H42 N7 P	ME804902	1.23	0.82
C19 H15 N5	ME804929	1.23	0.82
C13 H20 O8	ME804895	1.23	0.82
C18 H25 N7 O	ME804897	1.23	0.82
serine (2)	ME805444	1.21	0.83
Secnidazole	ME805442	1.21	0.83
MW_454.18162@RT_5.214	ME805320	1.21	0.83
MW_331.18574@RT_9.885	ME805306	1.21	0.83
MW_301.09086@RT_2.411	ME805296	1.21	0.83
MFCD00127891	ME805235	1.21	0.83
Methylimidazoleacetic acid	ME805231	1.21	0.83
Imidazol-4-one-5-propionic acid	ME805200	1.21	0.83
Ectoine	ME805151	1.21	0.83
D-(+)-Pyroglutamic Acid (2)	ME805131	1.21	0.83
C9 H9 Cl N5 O3 P (2)	ME804973	1.21	0.83
C9 H5 Cl2 N2 O16 P3 S	ME804764	1.21	0.83
C9 H17 N O7 S	ME804762	1.21	0.83
C8 H19 P3	ME804852	1.21	0.83
C8 H15 N3	ME804905	1.21	0.83
C8 H10 N4 O17 P2	ME804721	1.21	0.83
C7 H12 N2 O2 (2)	ME804652	1.21	0.83
C6 H6 N2	ME804801	1.21	0.83
C6 H5 N6 O11 P3 S	ME804747	1.21	0.83
C6 H2 O9 S	ME804650	1.21	0.83
C6 H17 N10 O2 P	ME804881	1.21	0.83
C5 H2 N8 O14 P2	ME804818	1.21	0.83
C5 H10 N6 O15 P2 S2	ME804699	1.21	0.83
C4 H N8 O11 P3 S	ME804677	1.21	0.83
C4 H3 N4 O13 P S	ME804680	1.21	0.83
C3 H6 O16 P2 S2	ME804663	1.21	0.83
C3 H2 O7 P2	ME804644	1.21	0.83
C3 H2 N2 O3 P2 S2	ME804821	1.21	0.83
C36 H75 N O16	ME804985	1.21	0.83
C21 H20 Cl O2 P S	ME804789	1.21	0.83
C17 H3 N2 O18 P S	ME804728	1.21	0.83
C14 H4 N10 O15 P2 S	ME804777	1.21	0.83
C12 H25 N3 O4	ME804771	1.21	0.83
C12 H22 N8 O2 S	ME804669	1.21	0.83
C12 H19 P S	ME804768	1.21	0.83
C12 H12 N6 O2	ME804739	1.21	0.83
C11 H6 Br N9 O2	ME804960	1.21	0.83
C10 H16 Cl N2 O8 P	ME804752	1.21	0.83
argininosuccinate (2)	ME805086	1.21	0.83
1H-Imidazole-4-carboxylic acid	ME805022	1.21	0.83
(2-butyl-1H-imidazol-4-yl)methanol	ME805002	1.21	0.83
streptidine	ME805448	1.22	0.83
Nitrosoguvacoline	ME805387	1.22	0.83
MW_464.33640@RT_1.775	ME805321	1.22	0.83
C9 H7 O10 P3 S	ME804660	1.22	0.83
C9 H5 N10 O5 P3 S	ME804679	1.22	0.83
C8 H11 O9 P3 S	ME804662	1.22	0.83
C7 H6 N4 O17 P2	ME804686	1.22	0.83
C6 H5 N2 O12 P3 S	ME804661	1.22	0.83
C4 H9 O15 P3 S3	ME804698	1.22	0.83
C4 H2 N2 O11 P2	ME804649	1.22	0.83
C3 H8 N2 O6 P2 S2	ME804648	1.22	0.83
C3 H2 N2 O6	ME804995	1.22	0.83
C2 H6 N2 O7 P2 S2	ME804670	1.22	0.83
C13 H23 N3 O8	ME804702	1.22	0.83
C11 H7 O17 P3 S2	ME804735	1.22	0.83
2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl beta-D-glucopyranoside	ME805030	1.22	0.83
C11 H7 Cl N8	ME804683	1.22	0.83
C8 H19 Br N8 O	ME804823	1.19	0.84
MW_218.16307@RT_5.460	ME805268	1.19	0.84
TRANS-4-HYDROXY-L-PROLINE	ME805458	1.20	0.84
Tilarginine (2)	ME805456	1.20	0.84
Palustrine	ME805405	1.20	0.84
nitrilotriacetic acid (2)	ME805386	1.20	0.84
"N(3)-(4-Methoxyfumaroyl)-2,3-diaminopropionic acid"	ME805358	1.20	0.84
MW_249.03070@RT_13.154	ME805282	1.20	0.84
MW_220.14238@RT_11.770	ME805270	1.20	0.84
Muscimol	ME805241	1.20	0.84
leucine (2)	ME805222	1.20	0.84
L-Dencichin	ME805212	1.20	0.84
gamma-glutamyltyramine	ME805164	1.20	0.84
dimethylglicine	ME805144	1.20	0.84
delta-guanidinovaleric acid (2)	ME805138	1.20	0.84
C H N2 O4 P S	ME804654	1.20	0.84
C6 H N8 O4 P3	ME804987	1.20	0.84
C6 H9 N2 O6 P S	ME804666	1.20	0.84
C6 H7 N4 O11 P S	ME804675	1.20	0.84
C6 H22 N7 O5 P	ME804776	1.20	0.84
C6 H15 Cl N10 O12	ME804875	1.20	0.84
C5 H8 O6 P2	ME804653	1.20	0.84
C5 H13 N7 O5 S	ME804815	1.20	0.84
C4 H15 N2 O17 P3	ME804727	1.20	0.84
C3 H5 P S	ME804651	1.20	0.84
C3 H3 N2 O5 P S	ME804697	1.20	0.84
C18 H36 N O6 P	ME804926	1.20	0.84
C17 H41 N9 O6 S	ME804892	1.20	0.84
C16 H19 N O10	ME804795	1.20	0.84
C15 H27 N O2	ME804832	1.20	0.84
C14 H27 N O8 S	ME804742	1.20	0.84
C12 H34 N8 O12 S	ME804922	1.20	0.84
4-Hydroxyphenylacetylglycine	ME805048	1.20	0.84
C10 H16 N2 O2 S2	ME804794	1.20	0.84
MW_119.07362@RT_4.865	ME805245	1.21	0.84
Dehydroglycine	ME805136	1.21	0.84
C10 H N2 O7 P	ME804656	1.21	0.84
C7 H7 N4 O17 P3 S	ME804709	1.21	0.84
tryptophan	ME805461	1.26	0.79
THTC	ME805452	1.26	0.79
proline	ME805429	1.26	0.79
MW_275.13687@RT_8.237	ME805289	1.26	0.79
H-Met(O)-OH	ME805183	1.26	0.79
Guanine (2)	ME805180	1.26	0.79
DEOXYCARNITINE (2)	ME805140	1.26	0.79
CYTOSINE degenerate (RT = 5.171)	ME805121	1.26	0.79
Cytidine diphosphate	ME805118	1.26	0.79
creatine	ME805109	1.26	0.79
carglumic acid	ME805099	1.26	0.79
C9 H11 N O6 S	ME804855	1.26	0.79
C8 H17 N3 O3	ME804730	1.26	0.79
C8 H17 Br N7 O P	ME804734	1.26	0.79
C8 H15 N O6 S	ME804766	1.26	0.79
C8 H13 Cl N5 O P	ME804990	1.26	0.79
C7 H7 Cl N5 O2 P	ME804805	1.26	0.79
C7 H19 N4 O9 P	ME804714	1.26	0.79
C7 H18 Br N4 O P	ME804812	1.26	0.79
C7 H12 N2 O2	ME804647	1.26	0.79
C3 H N2 O10 P3 S2	ME804948	1.26	0.79
C3 H9 Cl N10	ME804966	1.26	0.79
C3 H3 N8 O10 P S2	ME804978	1.26	0.79
C26 H30 O S2	ME804828	1.26	0.79
C17 H30 N3 O P S	ME804816	1.26	0.79
C11 H6 Cl N7 O3	ME804955	1.26	0.79
C10 H30 N7 O P	ME804760	1.26	0.79
Acetylarginine	ME805067	1.26	0.79
"5-(3-Buten-1-ynyl)-2,2â€_-bithienyl"	ME805053	1.26	0.79
5-Hydroxytryptophol	ME805059	1.26	0.79
OXOPROLINE/PYROGLUTAMATE	ME805401	1.27	0.78
"N,N,N-TRIMETHYLLYSINE"	ME805360	1.27	0.78
"N~6~-[(2R)-3,4-Dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine"	ME805396	1.27	0.78
epsilon-(gamma-Glutamyl)-lysine (RT = 11.658)	ME805155	1.27	0.78
cystine	ME805116	1.27	0.78
C8 H11 N O5	ME804773	1.27	0.78
C7 H16 N2 O4 P2 (2)	ME804949	1.27	0.78
C7 H12 N2 O5	ME804672	1.27	0.78
C5 H15 N O4 P2	ME804970	1.27	0.78
C4 H8 N4 O2 S	ME804796	1.27	0.78
C24 H27 O4 P	ME804910	1.27	0.78
1-Methylguanine	ME805017	1.27	0.78
C12 H21 P S	ME804717	1.27	0.78
Pipecolate	ME805415	1.27	0.79
MW_303.02804@RT_3.176	ME805297	1.27	0.79
MW_297.04530@RT_10.230	ME805293	1.27	0.79
MW_112.06380@RT_9.852	ME805244	1.27	0.79
methionine	ME805229	1.27	0.79
Golotimod	ME805175	1.27	0.79
glutamine	ME805167	1.27	0.79
D-(+)-Pipecolinic acid (2)	ME805124	1.27	0.79
C9 H5 Cl N10	ME804751	1.27	0.79
C8 H11 N2 O2 P	ME804876	1.27	0.79
C7 H16 Cl N O12	ME804847	1.27	0.79
C4 H13 N4 O2 P (2)	ME804817	1.27	0.79
C2 H7 Cl N2 P2	ME804894	1.27	0.79
4-Indolecarbaldehyde	ME805049	1.27	0.79
alanine	ME805078	1.27	0.79
Zalcitabine	ME805472	1.24	0.81
YV8195000	ME805471	1.24	0.81
Tilarginine	ME805455	1.24	0.81
Thymine	ME805453	1.24	0.81
MW_750.50849@RT_1.757	ME805340	1.24	0.81
MW_317.19505@RT_10.542	ME805303	1.24	0.81
MW_265.11615@RT_9.534	ME805287	1.24	0.81
MW_260.13721@RT_6.892	ME805286	1.24	0.81
MW_230.13792@RT_8.627	ME805274	1.24	0.81
L(-)-Pipecolinic acid	ME805207	1.24	0.81
leucine	ME805221	1.24	0.81
lepidine	ME805220	1.24	0.81
L-allysine	ME805211	1.24	0.81
Indole (2)	ME805203	1.24	0.81
HC blue 2 (2)	ME805185	1.24	0.81
DL-Lysine	ME805147	1.24	0.81
C9 H21 N O4 P2	ME804787	1.24	0.81
C7 H9 Cl N5 O P	ME804813	1.24	0.81
C6 H7 N O5	ME804691	1.24	0.81
C5 H19 N6 O10 P3	ME804957	1.24	0.81
C24 H9 N4 O17 P3 S	ME804856	1.24	0.81
C17 H32 N4 O4	ME804820	1.24	0.81
C17 H31 N3 O3	ME804744	1.24	0.81
C15 H24 Br O2 P	ME804958	1.24	0.81
C14 H18 N2 O6	ME804692	1.24	0.81
C11 H21 O P3	ME804845	1.24	0.81
C11 H17 N7 O	ME804781	1.24	0.81
C10 H28 N5 O4 P S2	ME804743	1.24	0.81
C10 H21 N3 O6	ME804943	1.24	0.81
C10 H13 Cl2 N7 O	ME804938	1.24	0.81
"6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol"	ME805063	1.24	0.81
"5,6-Dihydrothymidine"	ME805051	1.24	0.81
3-Methylinosine	ME805040	1.24	0.81
"1,4-Dihydro-4-imino-1-Î_-D-ribofuranosyl-3-pyridinecarboxylic acid"	ME805011	1.24	0.81
2-Hydroxycinnamic acid	ME805029	1.24	0.81
N(2)-succinyl-L-glutamic acid	ME805357	1.24	0.80
L-Glutamic acid	ME805215	1.24	0.80
hercynine (RT = 8.876)	ME805186	1.24	0.80
Cytosine degenerate (RT = 4.142)	ME805120	1.24	0.80
4-(Methylthio)-2-oxobutyric acid	ME805044	1.24	0.80
C6 H9 N O7	ME804809	1.24	0.80
serine	ME805443	1.25	0.80
S-Adenosyl-L-methionine	ME805440	1.25	0.80
Piperidine	ME805416	1.25	0.80
MW_83.03722@RT_9.319	ME805345	1.25	0.80
MW_357.19331@RT_14.070	ME805307	1.25	0.80
MW_202.04554@RT_10.888	ME805261	1.25	0.80
MW_168.12646@RT_2.542	ME805249	1.25	0.80
MW_153.12677@RT_8.891	ME805247	1.25	0.80
L-Alanyl-L-glutamine	ME805210	1.25	0.80
D-(+)-Pipecolinic acid (tail) (2)	ME805126	1.25	0.80
Coumarone	ME805108	1.25	0.80
C8 H17 N5 O3	ME804765	1.25	0.80
C8 H13 Cl2 N O6	ME804868	1.25	0.80
C7 H23 Cl N10 O8 P2	ME804979	1.25	0.80
C6 H5 Cl N5 O P	ME804712	1.25	0.80
C6 H21 Cl3 N10 O10	ME804849	1.25	0.80
C6 H15 Cl N4 O P2	ME804836	1.25	0.80
C5 H11 N10 O3 P	ME804972	1.25	0.80
C22 H39 N S2	ME804930	1.25	0.80
C13 H23 N3 O2	ME804753	1.25	0.80
C10 H22 O8	ME804834	1.25	0.80
C10 H20 N2 O3	ME804803	1.25	0.80
biotin	ME805095	1.25	0.80
5-METHYLCYTOSINE (2)	ME805062	1.25	0.80
1-Piperideine	ME805019	1.25	0.80
3-(1H-Imidazol-1-yl)-2-oxopropanoic acid	ME805035	1.25	0.80
trans-3-Indoleacrylic acid	ME805457	1.26	0.80
Pyrazinoic acid	ME805435	1.26	0.80
N~2~-(1-Carboxyethyl)-N~5~-(diaminomethylene)ornithine (2)	ME805394	1.26	0.80
MW_289.12743@RT_7.045	ME805292	1.26	0.80
Methionine sulfoxide	ME805230	1.26	0.80
lysine	ME805223	1.26	0.80
D-(+)-Pyroglutamic Acid	ME805130	1.26	0.80
C12 H17 N5 O5	ME804757	1.26	0.80
C7 H20 Br Cl N10 S	ME804858	1.26	0.80
N.pi.-Methyl-L-histidine	ME805379	1.32	0.74
MW_421.21755@RT_10.392	ME805317	1.32	0.74
Dehydrocycloguanandin	ME805135	1.32	0.74
coformycin	ME805106	1.32	0.74
C4 H6 N6 O7	ME804936	1.32	0.74
(.+/-.)-1-Amino-2-propanol	ME805001	1.32	0.74
argininosuccinate	ME805085	1.32	0.74
MW_234.15798@RT_5.951	ME805276	1.33	0.74
inosine	ME805204	1.33	0.74
fructosylglycine	ME805161	1.33	0.74
D-(+)-Pyroglutamic Acid (3)	ME805132	1.33	0.74
dCytidine	ME805134	1.33	0.74
C8 H12 N2 O5 S	ME804829	1.33	0.74
C3 H4 N10 O3 P2	ME804996	1.33	0.74
C12 H18 N2 O8	ME804770	1.33	0.74
C17 H22 N2 O7	ME804716	1.33	0.74
meprobamate	ME805227	1.33	0.73
"3-Hydroxy-2,4,5-pyridinetrimethanol"	ME805037	1.33	0.73
C59 H64 N2 O3 P2 S	ME804748	1.33	0.73
N-Acetylglucosaminitol	ME805371	1.34	0.73
N~2~-(1-Carboxyethyl)-N~5~-(diaminomethylene)ornithine	ME805393	1.34	0.73
MW_364.09817@RT_10.112	ME805308	1.34	0.73
MW_303.15422@RT_11.640	ME805298	1.34	0.73
MW_192.14765@RT_5.742	ME805258	1.34	0.73
histidine (tail) (3)	ME805190	1.34	0.73
GSH	ME805176	1.34	0.73
citrulline	ME805104	1.34	0.73
carnitine	ME805101	1.34	0.73
C6 H9 N O4 S	ME804806	1.34	0.73
C5 H N10 O10 P	ME804947	1.34	0.73
C5 H13 N O5 P2	ME804937	1.34	0.73
C22 H44 N O9 P	ME804927	1.34	0.73
C17 H37 N3 O2	ME804807	1.34	0.73
arginine	ME805084	1.34	0.73
alpha-Ketoglutaric acid	ME805079	1.34	0.73
4-Methyleneglutamine	ME805050	1.34	0.73
acetylglutamine	ME805070	1.34	0.73
4-guanidinobutanal	ME805045	1.34	0.72
cytosine	ME805119	1.34	0.72
(2S)-2-Amino-8-hydroxyoctanoic acid	ME805004	1.36	0.72
N-Acetyl-L-histidine	ME805367	1.35	0.72
MW_394.13506@RT_6.603	ME805313	1.35	0.72
MW_157.08528@RT_14.670	ME805248	1.35	0.72
Methylimidazoleacetic acid (2)	ME805232	1.35	0.72
guanine	ME805179	1.35	0.72
glutamate	ME805166	1.35	0.72
cytidine	ME805117	1.35	0.72
C8 H17 Cl N4 O4 S	ME804831	1.35	0.72
C6 H Cl N6 O4 P2	ME804981	1.35	0.72
C6 H12 N4 O	ME804810	1.35	0.72
C6 H10 N2 O	ME804643	1.35	0.72
C4 H12 N9 O2 P	ME804802	1.35	0.72
C25 H13 O P S	ME804997	1.35	0.72
C16 H31 N O S2	ME804913	1.35	0.72
240I539PWQ	ME805032	1.35	0.72
C11 H23 N2 O10 P	ME804746	1.35	0.72
Veronal (2)	ME805466	1.28	0.78
nitrilotriacetic acid	ME805385	1.28	0.78
MW_412.13438@RT_6.720	ME805315	1.28	0.78
MW_103.04568@RT_6.284	ME805243	1.28	0.78
HC blue 2	ME805184	1.28	0.78
gamma-Glu-gln	ME805163	1.28	0.78
epsilon-(gamma-Glutamyl)-lysine (RT = 10.667)	ME805154	1.28	0.78
choline	ME805103	1.28	0.78
C8 H14 N2 O6	ME804737	1.28	0.78
C6 H21 N9 O S	ME804870	1.28	0.78
"5,6-Dihydrothymidine (2)"	ME805052	1.28	0.78
C10 H16 Cl N2 O9 P	ME804961	1.28	0.78
PYRIDOXAMINE	ME805438	1.29	0.77
Pro-Hyp (2)	ME805426	1.29	0.77
ornithine (2)	ME805399	1.29	0.77
N6-acetyl-N6-hydroxy-L-lysine	ME805380	1.29	0.77
MW_913.42392@RT_1.648	ME805353	1.29	0.77
MW_486.20679@RT_13.608	ME805325	1.29	0.77
metioprim	ME805233	1.29	0.77
metharbital	ME805228	1.29	0.77
Hypoxanthine (3)	ME805198	1.29	0.77
D-(+)-Proline (2)	ME805128	1.29	0.77
D-(+)-Proline	ME805127	1.29	0.77
delta-guanidinovaleric acid	ME805137	1.29	0.77
C9 H24 Cl3 N7 O3 P2	ME804772	1.29	0.77
C8 H20 N9 O P	ME804841	1.29	0.77
C8 H14 N6 O2	ME804681	1.29	0.77
C8 H12 N2 O6	ME804844	1.29	0.77
C7 H18 N2 O4 P2	ME804944	1.29	0.77
C7 H17 O13 P	ME804843	1.29	0.77
C21 H9 N3 O	ME804974	1.29	0.77
C14 H28 N O2 P3	ME804865	1.29	0.77
C11 H3 Cl N8 O2	ME804731	1.29	0.77
4-GUANIDINOBUTANOATE	ME805046	1.29	0.77
1-METHYLADENOSINE	ME805016	1.29	0.77
1-(sn-glycero-3-phospho)-1D-myo-inositol	ME805013	1.29	0.77
SJ6300000	ME805445	1.28	0.77
MW_901.38723@RT_1.656	ME805351	1.28	0.77
MW_182.10569@RT_2.096 (2)	ME805254	1.28	0.77
creatinine	ME805111	1.28	0.77
betaine	ME805093	1.28	0.77
C9 H14 N2 O7	ME804799	1.28	0.77
Pyridoxal	ME805436	1.31	0.75
O-phosphoethanolamine_unc	ME805397	1.31	0.75
MW_884.36037@RT_1.656	ME805349	1.31	0.75
MW_308.15827@RT_12.481	ME805300	1.31	0.75
(+)-gamma-Hydroxy-L-homoarginine	ME804999	1.31	0.75
DEOXYCARNITINE	ME805139	1.31	0.75
CYTOSINE degenerate (RT = 5.171) (2)	ME805122	1.31	0.75
C8 H19 Cl N2 O3	ME804911	1.31	0.75
C7 H16 N2 O4 P2	ME804933	1.31	0.75
C7 H13 O8 P3	ME804994	1.31	0.75
C6 H20 N7 O10 P3	ME804786	1.31	0.75
C5 H7 Cl N3 O4 P	ME804891	1.31	0.75
C5 H14 N9 O P	ME804838	1.31	0.75
C22 H40 N2 O4	ME804826	1.31	0.75
C12 H21 P3	ME804909	1.31	0.75
"3,4-Diaminopyridine"	ME805033	1.31	0.75
"(5E)-7,7-Dimethyl-4-oxa-8-thia-2,5-diazanon-5-en-3-one"	ME805009	1.31	0.75
N-ACETYLGALACTOSAMINE (2)	ME805370	1.32	0.75
C6 H4 Cl N6 O7 P3 S2	ME804695	1.32	0.75
C6 H16 N9 O4 P	ME804862	1.32	0.75
C12 H22 N3 O9 P	ME804667	1.32	0.75
C12 H23 N O5	ME804774	1.32	0.75
histidine	ME805187	1.31	0.76
C7 H15 N S2	ME804830	1.31	0.76
C17 H31 N2 O10 P	ME804861	1.31	0.76
C20 H28 Cl N3	ME804939	1.31	0.76
trimethadione	ME805460	1.30	0.76
Prolylleucine (2)	ME805432	1.30	0.76
Prolylleucine	ME805431	1.30	0.76
N-Acetyl-1-aspartylglutamic acid	ME805364	1.30	0.76
MW_929.41891@RT_1.646	ME805354	1.30	0.76
MW_245.17390@RT_13.879	ME805279	1.30	0.76
MW_234.08527@RT_10.478	ME805275	1.30	0.76
MW_230.09040@RT_10.434 (2)	ME805273	1.30	0.76
L-Glutamyl-L-alanine	ME805216	1.30	0.76
homocitrulline	ME805192	1.30	0.76
GNK	ME805174	1.30	0.76
Glycerol 3-phosphate	ME805172	1.30	0.76
Fructoselysine	ME805160	1.30	0.76
cyclofenil	ME805114	1.30	0.76
C9 H14 N2 O5	ME804723	1.30	0.76
C8 H6 N10 O S	ME804732	1.30	0.76
C6 H10 Cl N4 O P	ME804859	1.30	0.76
C4 H6 N6 O5	ME804708	1.30	0.76
C4 H14 Br N7 O3	ME804984	1.30	0.76
C10 H19 N3 O5	ME804866	1.30	0.76
Asperuloside tetraacetate	ME805088	1.30	0.76
ALA-GLU	ME805074	1.30	0.76
7-Methylguanosine	ME805066	1.30	0.76
6-Methyladenine	ME805064	1.30	0.76
5-guanidino-3-methyl-2-oxopentanoic acid	ME805056	1.30	0.76
5-guanidino-2-oxopentanoic acid	ME805055	1.30	0.76
"4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde"	ME805043	1.30	0.76
3-ureidopropionate	ME805042	1.30	0.76
"2,6-Dimethylpyrazine"	ME805024	1.30	0.76
2-formylphenylformamide	ME805028	1.30	0.76
Thymine (2)	ME805454	1.29	0.76
C10 H18 N4 O6 S2	ME804705	1.29	0.76
C13 H8 N2 S2	ME804988	1.29	0.76
"N,4-Dinitroso-N-methylaniline"	ME805359	1.18	0.85
MW_182.06938@RT_2.194	ME805252	1.18	0.85
C8 H18 N2 O3	ME804842	1.18	0.85
C6 H21 Cl N6 P2	ME804971	1.18	0.85
C6 H17 N7 O6 P2	ME804740	1.18	0.85
C4 H9 N3 O5 S	ME804673	1.18	0.85
C14 H28 N2 S3	ME804898	1.18	0.85
AMPA	ME805081	1.18	0.85
"2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose (RT = 8.138)"	ME805023	1.18	0.85
Ala-Leu	ME805076	1.18	0.85
Thiamine	ME805450	1.19	0.85
ST2975000	ME805446	1.19	0.85
Piperidine (2)	ME805417	1.19	0.85
NP-001346	ME805390	1.19	0.85
"N,N-dimethylarginine (RT = 13.597)"	ME805362	1.19	0.85
MW_285.09603@RT_3.493	ME805290	1.19	0.85
MW_271.15306@RT_2.161	ME805288	1.19	0.85
MW_256.06953@RT_2.166	ME805284	1.19	0.85
MW_102.04705@RT_4.869	ME805242	1.19	0.85
Maleamic acid	ME805224	1.19	0.85
Gly-l-pro	ME805170	1.19	0.85
glutamine (2)	ME805168	1.19	0.85
C H3 O2 P S2	ME804797	1.19	0.85
C9 H9 Cl N5 O3 P	ME804884	1.19	0.85
C9 H18 N2 O10 S	ME804674	1.19	0.85
C8 H25 Cl N6 P2	ME804964	1.19	0.85
C8 H17 N4 P3	ME804696	1.19	0.85
C7 H8 Cl N4 O2 P	ME804993	1.19	0.85
C4 H10 Cl N9	ME804827	1.19	0.85
C3 H3 N6 P S	ME804664	1.19	0.85
C2 H2 N8 O	ME804682	1.19	0.85
apronalide	ME805083	1.19	0.85
2-Amino-4-methylpyrimidine	ME805026	1.19	0.85
3-Buten-1-amine	ME805036	1.19	0.85
N-NITROSOMETHYLVINYLAMINE	ME805377	1.18	0.86
N-acetylglutamate	ME805372	1.18	0.86
N~2~-Acetyl-L-ornithine	ME805395	1.18	0.86
DL-Stachydrine	ME805148	1.18	0.86
C8 H15 N3 O3	ME804722	1.18	0.86
C8 H13 Br O4	ME804916	1.18	0.86
"(2S,3R,5S)-3-(2-Aminoethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2)"	ME805007	1.18	0.86
C16 H14 N O2 P S	ME804860	1.18	0.86
S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine	ME805439	1.17	0.86
Pro-Hyp	ME805425	1.17	0.86
Procaine	ME805427	1.17	0.86
Plinabulin	ME805421	1.17	0.86
Pirbuterol (2)	ME805420	1.17	0.86
MW_190.13186@RT_12.889	ME805257	1.17	0.86
MW_174.13701@RT_11.699	ME805251	1.17	0.86
C6 H17 N6 O3 P	ME804965	1.17	0.86
C16 H30 N2 O3	ME804928	1.17	0.86
C15 H6 N10 O14 P2 S	ME804783	1.17	0.86
C11 H19 N3 O4	ME804792	1.17	0.86
Aspartame	ME805087	1.17	0.86
3-Hydroxylidocaine	ME805038	1.17	0.86
5-Hydantoinpropionic acid	ME805057	1.17	0.86
vinylglycine (2)	ME805468	1.16	0.88
MW_202.04557@RT_8.570	ME805262	1.16	0.88
Fasoracetam	ME805158	1.16	0.88
MW_201.11156@RT_6.917	ME805260	1.16	0.88
NPYR	ME805391	1.17	0.87
"N,N-DIMETHYLARGININE (RT = 11.881)"	ME805361	1.17	0.87
N-acetyllysine	ME805374	1.17	0.87
MW_299.11162@RT_2.516	ME805295	1.17	0.87
C8 H22 Br N9 O P2	ME804924	1.17	0.87
C19 H41 N3 O3	ME804950	1.17	0.87
"1-(beta-D-Ribofuranosyl)-1,2-dihydropyrimidine"	ME805012	1.17	0.87
adenosine_unc	ME805071	1.17	0.87
Nitrosoguvacoline (RT = 2.722)	ME805388	1.16	0.87
MW_743.58398@RT_1.731	ME805338	1.16	0.87
MW_303.17938@RT_10.309	ME805299	1.16	0.87
MW_249.03075@RT_12.337	ME805283	1.16	0.87
MW_203.12715@RT_9.480	ME805264	1.16	0.87
lentiginosine	ME805219	1.16	0.87
entecavir	ME805153	1.16	0.87
Clavamycin E	ME805105	1.16	0.87
C9 H19 N3 O2	ME804741	1.16	0.87
C7 H17 O7 P3	ME804785	1.16	0.87
C7 H10 N2 O2	ME804724	1.16	0.87
C5 H10 O18 P2 S2	ME804754	1.16	0.87
C2 H6 Br N8 O6 P	ME804998	1.16	0.87
C17 H24 N2 O2 P2	ME804874	1.16	0.87
C13 H6 O6	ME804920	1.16	0.87
C11 H21 N3 O3	ME804793	1.16	0.87
5-METHYLCYTOSINE	ME805061	1.16	0.87
1-Vinyl-2-pyrrolidone	ME805021	1.16	0.87
"(2S,3R,5S)-3-(2-Aminoethyl)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"	ME805006	1.16	0.87
valine	ME805464	1.14	0.89
Trigonelline	ME805459	1.14	0.89
Pirbuterol	ME805419	1.14	0.89
neuraminic acid	ME805383	1.14	0.89
MW_392.27853@RT_1.761	ME805312	1.14	0.89
MW_375.25184@RT_1.754	ME805310	1.14	0.89
MW_230.09040@RT_10.434	ME805272	1.14	0.89
MW_202.04557@RT_8.570 (2)	ME805263	1.14	0.89
MW_184.04857@RT_2.279	ME805256	1.14	0.89
C7 H8 Cl N6 O P	ME804778	1.14	0.89
C6 H5 N O6	ME804879	1.14	0.89
C5 H16 Br N9 O5	ME804822	1.14	0.89
C5 H14 N9 O3 P	ME804989	1.14	0.89
C16 H32 N2 O4 S	ME804854	1.14	0.89
1-Methylhistidine	ME805018	1.14	0.89
"(2S,3R)-3-[(2-Nitro-1H-imidazol-1-yl)methoxy]-1,2,4-butanetriol"	ME805005	1.14	0.89
N-Methylhexanamide	ME805376	1.13	0.89
C11 H15 N O9	ME804956	1.13	0.89
MW_323.22076@RT_1.977	ME805304	1.13	0.89
Proclavaminic acid	ME805428	1.15	0.88
Paramethadione	ME805408	1.15	0.88
MW_448.34116@RT_1.759	ME805319	1.15	0.88
MW_286.22559@RT_2.193	ME805291	1.15	0.88
MW_248.13723@RT_10.001	ME805281	1.15	0.88
MW_170.03291@RT_2.283	ME805250	1.15	0.88
D-(+)-Pipecolinic acid	ME805123	1.15	0.88
dihydroxyphenylalanine	ME805142	1.15	0.88
C9 H20 N2 O3	ME804711	1.15	0.88
C8 H14 N2 O3	ME804736	1.15	0.88
C7 H13 N7 O2 P2	ME804952	1.15	0.88
C4 H16 N7 O3 P	ME804883	1.15	0.88
3-METHYL-L-HISTIDINE	ME805039	1.15	0.88
C13 H26 O S2	ME804903	1.15	0.88
MW_216.06114@RT_6.638	ME805266	1.14	0.88
"DL-2,6-Diaminopimelic acid"	ME805145	1.14	0.88
C7 H19 N10 O3 P	ME804946	1.14	0.88
C7 H10 N2 O2 (2)	ME804825	1.14	0.88
C12 H19 N2 O P S	ME804908	1.14	0.88
C14 H24 N2 O3	ME804775	1.14	0.88
Pantothenate	ME805406	1.12	0.90
N-Acetyl-L-histidine (2)	ME805368	1.12	0.90
N6-METHYLLYSINE (2)	ME805382	1.12	0.90
N6-METHYLLYSINE	ME805381	1.12	0.90
Mimosine (RT = 2.163)	ME805240	1.12	0.90
C8 H17 N7 O3 S2	ME804707	1.12	0.90
C5 H15 Cl N10 O3 P2	ME804962	1.12	0.90
5-Acetamidopentanoic acid	ME805054	1.12	0.90
adrenaline	ME805072	1.12	0.90
Oxynicotinamide	ME805402	1.13	0.90
MW_420.30988@RT_1.761	ME805316	1.13	0.90
MFCD01318772	ME805239	1.13	0.90
Calystegin B2	ME805098	1.13	0.90
C7 H20 N7 O7 P	ME804919	1.13	0.90
C7 H19 N10 O2 P	ME804814	1.13	0.90
C3 H2 N8	ME804701	1.13	0.90
C17 H27 N P2	ME804873	1.13	0.90
C12 H23 N3 O5	ME804704	1.13	0.90
afegostat	ME805073	1.13	0.90
C11 H27 Br N8 O S	ME804835	1.13	0.90
C18 H33 N O4	ME804907	1.10	0.92
C15 H36 N4 O10 P2	ME804684	1.10	0.92
C13 H36 Br N9 O6	ME804759	1.10	0.92
C10 H15 N3 O S2	ME804729	1.10	0.92
Acetylcarnitine (2)	ME805069	1.10	0.92
Benzoxazolone	ME805091	1.10	0.92
Veronal	ME805465	1.12	0.91
Portulacaxanthin I	ME805422	1.12	0.91
mebutamate (2)	ME805226	1.12	0.91
C6 H7 N3	ME804715	1.12	0.91
g-Butyrobetaine	ME805162	1.12	0.91
Vorinostat	ME805469	1.11	0.91
Paracetamol	ME805407	1.11	0.91
N-Acetyl-D-quinovosamine	ME805365	1.11	0.91
L-dihydroanticapsin	ME805213	1.11	0.91
homocitrulline (2)	ME805193	1.11	0.91
D-(+)-Pipecolinic acid (tail)	ME805125	1.11	0.91
C15 H35 N10 O3 P S2	ME804921	1.11	0.91
"(2S,3Z,5S)-3-(2-Aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (RT = 2.169)"	ME805008	1.11	0.91
C14 H30 Br N3 O3	ME804887	1.11	0.91
MFCD00127891 (2)	ME805236	1.11	0.92
C11 H17 O P S	ME804839	1.11	0.92
C6 H16 Br N3 O P2	ME804977	1.11	0.92
MW_248.10026@RT_9.781	ME805280	1.09	0.93
Indole	ME805202	1.09	0.93
GUANIDINOSUCCINATE	ME805178	1.09	0.93
C46 H80 N5 P3	ME804880	1.09	0.93
C36 H73 N2 O13 P	ME804808	1.09	0.93
C14 H33 N3 O6 S	ME804756	1.09	0.93
C12 H25 O P3	ME804791	1.09	0.93
C12 H21 O P S	ME804780	1.09	0.93
beta-D-Fructofuranosyl 4-O-isobutyryl-alpha-D-glucopyranoside	ME805092	1.09	0.93
1-carbapenem-3-carboxylic acid	ME805015	1.09	0.93
2-Acetamido-2-deoxy-D-gluconolactone	ME805025	1.09	0.93
MFCD00468051	ME805238	1.08	0.94
C11 H12 Cl O4 P	ME804941	1.08	0.94
Hopantenic acid	ME805194	1.08	0.94
C8 H11 N O5 (3)	ME804846	1.08	0.93
Nudifloramide	ME805392	1.08	0.93
niacinamide	ME805384	1.07	0.94
Sakuranin	ME805441	1.07	0.95
MW_219.03745@RT_3.495	ME805269	1.07	0.95
L-Ethionine	ME805214	1.07	0.95
C7 H11 N7 O3	ME804646	1.07	0.95
C26 H32 N5 P3	ME804850	1.07	0.95
bendiocarb	ME805090	1.07	0.95
C18 H27 N O10 S	ME804745	1.07	0.95
Gly-l-pro (2)	ME805171	1.06	0.95
C17 H33 N2 O P3	ME804942	1.06	0.95
C8 H17 N3 O3 (2)	ME804901	1.06	0.95
pemoline	ME805410	1.04	0.97
L-(-)-methionine	ME805209	1.04	0.97
Guvacoline	ME805182	1.04	0.97
C5 H20 Cl N10 O2 P S	ME804982	1.04	0.97
C7 H8 N2 O	ME804689	1.04	0.97
C7 H12 N2 O5 (2)	ME804914	1.06	0.96
threonine	ME805451	1.05	0.96
Pregabalin (2)	ME805424	1.05	0.96
dimethylformamide	ME805143	1.05	0.96
Creatine (2)	ME805110	1.05	0.96
C7 H16 N2 O3	ME804784	1.05	0.96
C7 H15 N5 O3	ME804945	1.05	0.96
C6 H16 Br N3 O6	ME804900	1.05	0.96
C26 H54 N2 O4	ME804788	1.05	0.96
"3,6,8-Trimethylallantoin"	ME805034	1.05	0.96
C16 H31 O11 P	ME804819	1.05	0.96
C19 H29 N10 P S	ME804824	0.96	1.03
(-)-L-Carnitine	ME805000	0.96	1.04
C13 H15 Cl N O4 P	ME804959	0.98	1.01
C6 H17 N10 P	ME804991	0.98	1.02
C24 H29 N7 O	ME804885	0.97	1.03
C13 H20 N2 O4	ME804888	0.97	1.02
C22 H45 N O2	ME804763	0.97	1.02
N-Acetylleucylleucine	ME805373	1.02	0.98
Stachydrine	ME805447	1.02	0.98
D-PANTOTHENIC ACID	ME805133	1.03	0.97
C23 H42 N O6 P	ME804886	1.03	0.98
C8 H11 N O5 (2)	ME804790	1.03	0.98
MW_329.32921@RT_1.922	ME805305	1.00	1.00
ALA-GLU (2)	ME805075	1.00	1.00
DIBOA-glucoside	ME805141	1.00	1.00
C H3 N7 O	ME804976	1.02	0.99
Zuclopenthixol acetate	ME805473	1.01	0.99
C6 H19 N10 P	ME804935	1.01	0.99
vinylglycine	ME805467	1.01	0.99
propionylcarnitine	ME805433	1.45	0.64
Imidazoleacetic acid riboside	ME805201	1.45	0.64
C7 H15 N6 O3 P	ME804975	1.45	0.64
C14 H19 P S	ME804889	1.45	0.64
C19 H33 O6 P3	ME804923	1.45	0.64
3-O-feruloyl-D-quinic acid	ME805041	1.43	0.65
phosphocholine	ME805413	1.43	0.65
C9 H15 N3 O6	ME804720	1.44	0.65
C6 H16 N O6 P S	ME804700	1.44	0.65
6-methyltetrahydropterin	ME805065	1.44	0.65
C27 H32 O14 S	ME804953	1.44	0.65
Ala-Leu (2)	ME805077	1.48	0.61
histidine (tail)	ME805188	1.49	0.61
Pyridoxal (2)	ME805437	1.47	0.62
C7 H10 N2 O5	ME804645	1.47	0.62
C4 H13 N4 O2 P	ME804657	1.47	0.62
AMP	ME805080	1.47	0.62
C11 H24 Br N3 O3	ME804758	1.47	0.62
mebutamate	ME805225	1.47	0.63
"(6R)-L-erythro-6,7-dihydrobiopterin"	ME805010	1.46	0.63
C7 H8 N2 O4	ME804655	1.46	0.63
C6 H18 N2 O4 P2	ME804906	1.43	0.66
Glu-Glu	ME805165	1.43	0.66
C5 H16 N5 O3 P	ME804840	1.42	0.67
guanidinoacetate	ME805177	1.42	0.66
C9 H20 N8 O5 S	ME804899	1.42	0.66
C2 H8 N3 O2 P	ME804782	1.42	0.66
acetylcarnitine	ME805068	1.42	0.66
C14 H23 P S	ME804761	1.42	0.66
Pregabalin	ME805423	1.41	0.67
N-Acetyl-L-aspartic acid	ME805366	1.41	0.67
MW_486.17144@RT_6.476	ME805324	1.41	0.67
L-(+)-ERGOTHIONEINE	ME805208	1.41	0.67
Imazapyr	ME805199	1.41	0.67
hypoxanthine	ME805196	1.41	0.67
hydroxyacetone phosphate	ME805195	1.41	0.67
Cysteine-glutathione disulfide	ME805115	1.41	0.67
C5 Carnitines	ME805097	1.41	0.67
C15 H32 N2 O12	ME804877	1.41	0.67
C18 H24 Br N10 O P	ME804767	1.41	0.67
MW_196.09328@RT_14.706	ME805259	1.41	0.68
Phosphocreatine	ME805414	1.40	0.68
ornithine	ME805398	1.40	0.68
DL-Glutamine	ME805146	1.40	0.68
C7 H11 N O6 S	ME804769	1.40	0.68
C4 H5 N O	ME804676	1.40	0.68
C3 H8 Cl2 N4 O12	ME804992	1.40	0.68
2-Amino-4-methylpyrimidine (2)	ME805027	1.40	0.68
Butyrylcarnitine	ME805096	1.40	0.68
N-ACETYLGALACTOSAMINE	ME805369	1.36	0.71
D-(+)-Proline (3)	ME805129	1.36	0.71
C H3 O12 P3	ME804954	1.36	0.71
C22 H25 N O6 P2	ME804967	1.36	0.71
C14 H20 N2 O5	ME804693	1.36	0.71
azatepa	ME805089	1.36	0.71
C11 H21 N S2	ME804867	1.36	0.71
C6 H20 N7 O6 P	ME804915	1.37	0.71
L-Prolinamide	ME805218	1.37	0.71
hypoxanthine (2)	ME805197	1.37	0.70
guanosine	ME805181	1.37	0.70
C2 H8 N7 O3 P	ME804925	1.37	0.70
5-Hydroxyindole-3-acetic acid	ME805058	1.37	0.70
C27 H57 N3 S2	ME804893	1.37	0.70
Nopaline	ME805389	1.38	0.70
MW_957.44974@RT_1.636	ME805356	1.38	0.70
MW_385.19947@RT_14.267	ME805311	1.38	0.70
MW_225.07499@RT_4.711	ME805271	1.38	0.70
MW_182.10569@RT_2.096	ME805253	1.38	0.70
kynurenine	ME805206	1.38	0.70
C12 H28 O6 P2 S2	ME804912	1.38	0.70
C13 H22 N2 O10	ME804931	1.38	0.70
Otonecine	ME805400	1.39	0.69
MW_242.09030@RT_10.631 (2)	ME805278	1.39	0.69
C9 H2 O4	ME804719	1.39	0.69
C7 H7 Cl N8 O4 S	ME804890	1.39	0.69
C2 H6 N9 P	ME804986	1.39	0.69
C11 H15 N O10	ME804779	1.39	0.69
C14 H28 O13	ME804800	1.39	0.69
MW_941.45525@RT_1.636	ME805355	1.38	0.69
MW_204.06103@RT_8.342	ME805265	1.38	0.69
epsilon-(gamma-Glutamyl)-lysine (RT = 11.658) (2)	ME805156	1.38	0.69
C5 H4 Cl N9 S2	ME804932	1.38	0.69
C5 H8 N4 O2 P2	ME804940	1.38	0.69
Ethanal tetramer	ME805157	1.60	0.52
C36 H51 N2 P3 S	ME804896	1.59	0.53
Glycerophosphocholine	ME805173	1.59	0.53
Binodenoson	ME805094	1.65	0.48
C15 H16 N8 O S	ME804750	1.63	0.49
C23 H45 N5 O7	ME804853	1.63	0.50
C7 H15 N2 P S	ME804738	1.62	0.50
anserine_unc	ME805082	1.50	0.60
C18 H32 N2 O3	ME804857	1.50	0.60
Formiminoglutamic Acid	ME805159	1.52	0.59
C12 H25 N3 O3	ME804872	1.51	0.59
C22 H43 N3 O3	ME804864	1.51	0.59
C32 H54 N3 O5 P3	ME804798	1.56	0.55
C13 H33 N7 O S2	ME804871	1.57	0.55
C33 H59 N O15	ME804718	1.57	0.55
histidine (tail) (2)	ME805189	1.53	0.58
C37 H52 N3 O7 P	ME804713	1.54	0.57
C16 H30 N8 O10 S2	ME804882	1.55	0.56
C20 H37 N O5	ME804968	1.55	0.56
C6 H14 Cl N9 O3	ME804918	0.53	1.38
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine	ME805014	0.64	1.29
MW_523.36435@RT_1.856	ME805328	0.75	1.20
MW_789.56719@RT_1.711	ME805342	0.73	1.21
Ceramide (d18:1/16:0)	ME805102	0.74	1.21
MW_511.32788@RT_2.070	ME805326	0.74	1.21
MW_543.33299@RT_1.865	ME805329	0.72	1.22
C34 H65 N O2	ME804811	0.72	1.23
MFCD00036904	ME805234	0.71	1.23
MW_717.56733@RT_1.756	ME805335	0.69	1.25
MW_467.30117@RT_1.989	ME805322	0.71	1.24
MW_519.33305@RT_1.876	ME805327	0.70	1.24
MW_729.53081@RT_1.720	ME805337	0.87	1.11
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[10-(2-hexylcyclopropyl)decanoyl]oxy}propyl palmitate	ME805003	0.87	1.10
MW_216.09981@RT_1.970	ME805267	0.87	1.10
DMPC	ME805150	0.89	1.09
MW_903.58360@RT_1.653	ME805352	0.89	1.09
MW_810.65729@RT_1.787	ME805344	0.88	1.09
MFCD00135289	ME805237	0.88	1.09
MW_705.53067@RT_1.745	ME805334	0.88	1.09
C5 H20 N10 P2 S	ME804934	0.90	1.08
C7 H20 Br N9 O6	ME804848	0.91	1.07
1-stearoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine zwitterion	ME805020	0.94	1.05
carisoprodol	ME805100	0.94	1.05
MW_626.52723@RT_1.655	ME805331	0.93	1.06
C16 H33 P S2	ME804863	0.92	1.06
C8 H26 Br N9 P2	ME804726	0.92	1.06
N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine	ME805363	0.78	1.17
C32 H68 N6 P2	ME804878	0.79	1.17
MW_787.60672@RT_1.749	ME805341	0.79	1.17
C37 H82 N9 O8 P	ME804733	0.77	1.18
Pergolide	ME805411	0.77	1.19
C37 H81 N9 O2 P2	ME804710	0.80	1.16
MW_747.51930@RT_1.683	ME805339	0.81	1.15
MW_875.55220@RT_1.665	ME805348	0.81	1.15
Palmitoyl sphingomyelin	ME805404	0.82	1.14
MW_719.54518@RT_1.763	ME805336	0.83	1.13
PC	ME805409	0.83	1.14
MW_183.06618@RT_1.740	ME805255	0.83	1.14
C51 H75 N7 O3	ME804678	0.83	1.14
Enobosarm	ME805152	0.83	1.14
MW_886.55741@RT_1.648	ME805350	0.85	1.12
MW_699.56717@RT_1.684	ME805333	0.84	1.13
MW_805.56206@RT_1.712	ME805343	0.84	1.13

Factors:

F1	Sample source:embryonic CSF \| Developmental Timepoint:E14.5 \| Maternal Treatment (injection):polyIC \| Collection Time:48 hours
F2	Sample source:mock \| Developmental Timepoint:- \| Maternal Treatment (injection):- \| Collection Time:-

Data matrix