Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001753)

(Analysis AN002856)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
VALSARTAN	ME458011	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
VAL GLU	ME458010	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
UROCANIC ACID	ME458009	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TYROSINE	ME458008	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRYPTOPHANOL	ME458007	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRYPTOPHAN	ME458006	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRIMETHYLAMINE N-OXIDE	ME458005	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRIMETHYLAMINE	ME458004	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRIMETHYL(2-{[(2R)-3-(OCTADECANOYLOXY)-2-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME458001	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRIMETHYL(2-{[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME458003	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRIMETHYL(2-{[(2R)-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME458002	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRIMETHYL(2-{[(2R)-2-(OCTADECANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME457999	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)AZANIUM	ME458000	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRIGONELLINE	ME457998	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TRANS-3-HYDROXYCOTININE	ME457997	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
THR GLU	ME457995	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
THREONINE	ME457996	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
THEOPHYLLINE	ME457994	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TG 54:4	ME457993	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TG 52:4	ME457992	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TG 52:3	ME457991	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TG 47:0	ME457990	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
TAURINE	ME457989	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SUCROSE	ME457988	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SPBP 18:1;O	ME457987	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SN-GLYCERO-3-PHOSPHOCHOLINE	ME457986	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 49:6;2	ME457985	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 49:5;2	ME457984	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 47:7;2	ME457983	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 47:6;2	ME457982	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 47:5;2	ME457981	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 45:6;2	ME457980	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 45:5;2	ME457979	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 45:3;2	ME457978	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 45:2;2	ME457977	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 45:11;2	ME457976	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 44:3;3	ME457975	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 43:9;2	ME457974	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 43:5;2	ME457973	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 43:4;2	ME457972	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 43:3;3	ME457971	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 43:2;2	ME457970	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 43:1;2	ME457968	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 43:10;2	ME457969	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 43:0;2	ME457967	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 42:6;2	ME457966	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 42:5;3	ME457965	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 42:4;3	ME457964	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 42:3;3	ME457963	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 42:3;2	ME457962	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 42:2;3	ME457961	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 42:2;2	ME457960	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 42:1;2	ME457959	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 41:8;2	ME457958	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 41:5;2	ME457957	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 41:3;2	ME457956	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 41:2;2	ME457955	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 41:1;2	ME457953	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 41:10;2	ME457954	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 40:9;2	ME457952	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 40:8;2	ME457951	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 40:7;2	ME457950	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 40:5;2	ME457949	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 40:3;2	ME457948	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 40:2;2	ME457947	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 40:1;2	ME457946	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 39:9;2	ME457945	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 39:8;2	ME457944	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 39:7;2	ME457943	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 39:4;3	ME457942	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 39:4;2	ME457941	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 39:3;2	ME457940	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 39:2;2	ME457939	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 39:1;2	ME457938	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 38:3;2	ME457937	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 38:2;2	ME457936	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 38:1;2	ME457935	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 37:4;3	ME457934	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 37:2;2	ME457933	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 37:1;2	ME457932	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 37:0;2	ME457931	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 36:2;2	ME457930	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 36:0;2	ME457929	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 35:4;3	ME457928	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 35:1;2	ME457927	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 35:0;2	ME457926	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 34:1;2	ME457925	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SM 30:1;2	ME457924	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(S)-HOMOSTACHYDRINE	ME457628	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SER ASP LYS PRO	ME457923	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
SER ARG	ME457922	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
S-ADENOSYLHOMOCYSTEINE	ME457921	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
QUINOLIN-5-OL	ME457920	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
QUINOLIN-4-OL	ME457919	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PYRROLIDINE-1-CARBOXAMIDINE	ME457918	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PYROGLUTAMIC ACID	ME457917	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PROPANE-1,3-DIOL	ME457916	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PROLINE	ME457915	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PRO-HYDROXYPRO	ME457914	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PIPERINE	ME457913	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PIPERIDINE-3-CARBOXYLIC ACID	ME457912	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PIPECOLIC ACID	ME457911	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PI-CER 41:4;3O	ME457906	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PI-CER 41:3;3O	ME457905	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PI-CER 39:4;3O	ME457904	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PI 38:3	ME457910	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PI 36:4	ME457909	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PI 34:2	ME457908	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PI 34:1	ME457907	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PHENYLALANINE	ME457903	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PE O-40:7	ME457902	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PE O-38:7	ME457901	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PE O-38:6	ME457900	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PE O-36:5	ME457899	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PE O-36:4	ME457898	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PE O-35:3	ME457897	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PE O-34:3	ME457896	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PE 36:3	ME457895	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-44:8	ME457894	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-44:5	ME457893	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-43:9	ME457892	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-43:8	ME457891	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-42:7	ME457890	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-42:6	ME457889	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-42:5	ME457888	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-42:4	ME457887	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-42:3	ME457886	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-41:8	ME457885	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-41:7	ME457884	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-41:5	ME457883	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-41:4	ME457882	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-41:2	ME457881	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-40:8	ME457880	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-40:6	ME457879	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-40:5	ME457878	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-40:4	ME457877	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-40:3	ME457876	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-40:2	ME457875	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-40:1	ME457874	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-40:0	ME457873	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-39:8	ME457872	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-39:5	ME457871	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-39:4	ME457870	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-39:3	ME457869	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-39:2	ME457868	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-39:1	ME457867	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-38:7	ME457866	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-38:3	ME457865	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-38:2	ME457864	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-38:1	ME457863	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-37:6	ME457862	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-37:4	ME457861	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-37:3	ME457860	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-37:2	ME457859	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-37:1	ME457858	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-36:6	ME457857	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-36:2	ME457856	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-36:1	ME457855	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-35:3	ME457854	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-35:1	ME457853	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-34:3	ME457852	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-34:1	ME457851	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-33:3	ME457850	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-33:2	ME457849	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-33:1	ME457848	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-33:0	ME457847	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-32:2	ME457846	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-32:1	ME457845	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-32:0	ME457844	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-31:2	ME457843	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-31:1	ME457842	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-30:1	ME457841	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-29:1	ME457840	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC O-28:7	ME457839	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PC 36:4	ME457838	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
PARAXANTHINE	ME457837	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
P-ACETAMIDOPHENYLGLUCURONIDE	ME457836	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N-METHYLHYDANTOIN	ME457829	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N-METHYL-7H-PURIN-6-AMINE	ME457828	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
NIACINAMIDE	ME457835	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N-ACETYLCARNOSINE	ME457827	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N-ACETYLARGININE	ME457826	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N8-ACETYLSPERMIDINE	ME457834	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N(6)-METHYLLYSINE	ME457830	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N-(3-HYDROXYPHENYL)ACETAMIDE	ME457825	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N1,N12-DIACETYLSPERMINE	ME457833	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE	ME457832	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
N1-ACETYLSPERMIDINE	ME457831	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
METHIONINE	ME457824	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
METFORMIN	ME457823	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
MET-ALA	ME457822	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LYSINE	ME457821	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
L-PROLINAMIDE	ME457787	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
L-PHENYLALANYL-L-LYSINE	ME457786	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
L-PHENYLALANYL-L-ARGININE	ME457785	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-24:2	ME457820	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-22:2	ME457819	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-22:0	ME457818	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-20:1	ME457817	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-20:0	ME457816	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-18:2	ME457815	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-18:1	ME457814	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-18:0	ME457813	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-17:2	ME457812	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-17:1	ME457811	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-16:0	ME457810	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC O-13:0	ME457809	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 42:9	ME457808	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 40:7	ME457807	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 30:1	ME457806	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 22:6	ME457805	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 22:5	ME457804	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 22:4	ME457803	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 22:3	ME457802	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 21:2	ME457801	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 20:4	ME457800	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 20:2	ME457799	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 20:1	ME457798	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 19:1	ME457797	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 19:0	ME457796	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 17:1	ME457795	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 16:2	ME457794	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 16:1	ME457793	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 16:0	ME457792	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 15:1	ME457791	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LPC 14:0	ME457790	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
L-METHIONINE S-OXIDE	ME457784	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
L-ISOLEUCYL-L-ARGININE	ME457783	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LEUCINE	ME457789	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
L-CYSTINE	ME457782	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
L-ARGINYL-L-PROLINE	ME457781	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
L-ARGINYL-L-PHENYLALANINE	ME457780	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
LACCER D40:1	ME457788	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
KYOTORPHIN	ME457779	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
KYNURENIC ACID	ME457778	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
INDOLE	ME457777	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
HYPOXANTHINE	ME457776	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
HOMOARGININE	ME457775	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
HISTIDINE	ME457774	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
HISTAMINE	ME457773	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
HIS LEU	ME457772	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
HIS-GLU	ME457770	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
HIS ALA	ME457771	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
HEXCER 33:2;3	ME457769	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
HEXAETHYLENE GLYCOL	ME457768	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
HEX3CER 18:1;2O/16:0	ME457767	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
GM3 D34:1	ME457766	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
GLYCOURSODEOXYCHOLIC ACID	ME457765	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
GLYCOCHOLIC ACID	ME457764	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
GLU VAL	ME457761	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
GLU THR ARG	ME457760	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
GLUTAMINE	ME457763	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
GLUTAMIC ACID	ME457762	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
GAMMA-LINOLENYL CARNITINE	ME457759	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
FOSINOPRIL	ME457758	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
ERGOTHIONEINE	ME457757	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
EDETIC ACID	ME457756	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
ECTOINE	ME457755	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[(E)-3-HYDROXY-2-STEARAMIDO-OCTADEC-4-ENYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME457635	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
DIMETHYLARGININE	ME457754	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
DIHYDROTHYMINE	ME457753	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CYTOSINE	ME457752	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CYTIDINE 5^-DIPHOSPHOCHOLINE	ME457751	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CYSTEINE	ME457750	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CREATININE	ME457749	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CREATINE	ME457748	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
COTININE	ME457747	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CORTISOL	ME457746	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CITRULLINE	ME457745	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CHOLINE PHOSPHATE	ME457744	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CHOLINE	ME457743	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CHOLESTEROL	ME457742	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CER 42:2;2	ME457741	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CER 42:1;2	ME457740	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CER 40:1;2	ME457739	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CARBAMAZEPINE	ME457738	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 8:1	ME457736	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 8:0	ME457735	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 6:0	ME457734	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR(4:0(3ME))	ME457737	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 4:0	ME457733	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 3:0	ME457732	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 18:0	ME457731	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 16:0	ME457730	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 14:0	ME457729	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 12:0	ME457728	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 10:1	ME457727	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAR 10:0	ME457726	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CAFFEINE	ME457725	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
CADAVERINE	ME457724	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
BRADYKININ HYDROXYPROLINE	ME457723	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
BRADYKININ	ME457722	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
BETONICINE	ME457721	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
BETAINE ALDEHYDE	ME457720	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
BETAINE	ME457719	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
ARG PRO PRO	ME457717	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
ARGININE	ME457718	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
ARG GLY	ME457716	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
ARG GLU	ME457715	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
ANILINE	ME457714	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
AMP	ME457713	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
ALPHA-N-PHENYLACETYLGLUTAMINE	ME457712	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
ADENINE	ME457711	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
ACETAMINOPHEN	ME457710	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
8-(3-OCTYLOXIRAN-2-YL)OCTANOIC ACID	ME457708	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
8-[(2S,3R)-3-[(Z)-OCT-2-ENYL]OXIRAN-2-YL]CAPRYLIC ACID	ME457709	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
7-METHYLGUANINE	ME457707	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
6-METHYLPYRIDIN-3-OL	ME457706	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
6-CHLORO-7H-PURINE	ME457705	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
5-(TRIMETHYLAMMONIO)VALERATE	ME457701	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[(5S)-5-AMINO-5-CARBOXYPENTYL]TRIMETHYLAZANIUM	ME457634	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
5-GUANIDINO-2-[[3-METHYL-2-(PYROGLUTAMOYLAMINO)PENTANOYL]AMINO]VALERIC ACID	ME457704	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
5-GLUTAMYL-ALANINE	ME457703	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(5E,9E)-6,10,14-TRIMETHYLPENTADECA-5,9,13-TRIEN-2-ONE	ME457627	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
5-AMINO-LEVULINIC ACID	ME457702	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-METHYLQUINOLIN-2(1H)-ONE	ME457700	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-METHYLPYRIDINE	ME457699	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-METHYLBENZAMIDE	ME457698	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-KETO-6-METHYL-1H-PYRIDINE-3-CARBOXYLIC ACID	ME457697	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-HYDROXYCINNAMIC ACID	ME457696	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-HYDROXYBENZALDEHYDE	ME457695	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-AMINOPYRIDINE	ME457694	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-AMINOPHENOL	ME457693	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
4-(2-AMINO-1-HYDROXYETHYL)PHENOL	ME457692	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(3R)-3-HYDROXY-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME457626	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(3R)-3-(ACETYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME457620	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(3R)-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME457625	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(3R)-3-[(5-CARBOXYPENTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME457624	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(3R)-3-[(4-CARBOXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME457623	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(3R)-3-[(3-HYDROXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME457622	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(3R)-3-[(2-METHYLBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOATE	ME457621	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
3-METHYLINDOLE	ME457690	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
3-METHYLADENINE	ME457689	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME457642	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[3-HEXADECOXY-2-[(8Z,11Z,14Z)-ICOSA-8,11,14-TRIENOYL]OXYPROPYL] 2-(TRIMETHYLAZANIUMYL)ETHYL PHOSPHATE	ME457641	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[3-HEXADECOXY-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYL]OXYPROPYL] 2-(TRIMETHYLAZANIUMYL)ETHYL PHOSPHATE	ME457640	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
3-(DIPHENYL-1,3-OXAZOL-2-YL)PROPANOIC ACID	ME457686	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(3-CARBOXYPROPYL)TRIMETHYLAZANIUM	ME457619	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
3-AMINOQUINOLINE	ME457688	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL	ME457691	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
3-{[(2R)-1-CARBOXY-3-(TRIMETHYLAZANIUMYL)PROPAN-2-YL]OXY}-3-OXOPROPANOATE	ME457687	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
3-(2-PYRIMIDYL)PROPIONIC ACID	ME457685	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
3-(1H-INDOL-3-YL)-2-(TRIMETHYLAMMONIO)PROPIONATE	ME457684	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-(TRIMETHYLAZANIUMYL)ETHYL CARBAMATE	ME457665	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[2-(TRIMETHYLAZANIUMYL)ETHOXY]PHOSPHONIC ACID	ME457636	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-(TRIMETHYLAMMONIO)PROPIONATE	ME457664	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S)-6-AMINO-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]HEXANOIC ACID	ME457615	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S)-4-AMINO-2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOYL]AMINO]-4-KETO-BUTYRIC ACID	ME457614	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S,3S,4S,5R,6S)-6-[[(1S,9R,10S)-17-METHYL-17-AZATETRACYCLO[7.5.3.01,10.02,7]HEPTADECA-2(7),3,5-TRIEN-4-YL]OXY]-3,4,5-TRIS(OXIDANYL)OXANE-2-CARBOXYLIC ACID	ME457618	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[3-[(2S)-5-KETO-1-METHYL-PYRROLIDIN-2-YL]PYRIDIN-1-IUM-1-YL]TETRAHYDROPYRAN-2-CARBOXYLATE	ME457617	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S,3S)-2-AMINO-3-METHYLPENTANOIC ACID	ME457616	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[(2S)-3-(HEXADECYLTHIO)-2-(1-OXOHEXADECYLAMINO)PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME457633	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S)-2-AMINO-6-(DIMETHYLAMINO)HEXANOIC ACID	ME457612	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S)-2-AMINO-6-[(4S)-4-AMINO-4-CARBOXYBUTANAMIDO]HEXANOIC ACID	ME457613	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S)-2-AMINO-5-ETHANIMIDAMIDOPENTANOIC ACID	ME457611	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S)-2-AMINO-3-({HYDROXY[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHORYL}OXY)PROPANOIC ACID	ME457610	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S)-2-AMINO-3-({HYDROXY[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYLOXY]-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHORYL}OXY)PROPANOIC ACID	ME457609	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[(2S)-2-[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOYL]OXY-3-STEAROYLOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME457632	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYLPENTANOIC ACID	ME457608	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-CARBAMOYLBUTANOIC ACID	ME457607	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2R)-6-ACETAMIDO-2-AMINO-HEXANOIC ACID	ME457606	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[(2R)-3-CETYLOXY-2-(METHYLCARBAMOYLOXY)PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME457630	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[(2R)-3-CETYLOXY-2-[[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOYL]THIO]PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME457631	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYLOXY]-3-(OCTADECANOYLOXY)PROPOXY]({[(1S,3R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY})PHOSPHINIC ACID	ME457629	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-PIPERIDINONE	ME457682	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-METHYLPYRROLIDINE	ME457681	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-METHYLBUT-3-EN-2-OL	ME457680	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-METHOXYPYRAZINE	ME457679	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-HYDROXYCINNAMIC ACID	ME457678	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME457639	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID	ME457677	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[2-[(E)-BUT-2-ENOYL]OXY-3-CETYLOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME457638	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2E)-3-(1H-INDOL-3-YL)PROP-2-ENOIC ACID	ME457605	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-(DIMETHYLAMINO)PROPAN-1-OL	ME457663	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-[(CARBOXYMETHYL)AMINO]ACETIC ACID	ME457667	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-5-YL)PROPANOATE	ME457676	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROPANOATE	ME457675	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-AMINOPENTANEDIOIC ACID	ME457674	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXYPROPOXY]PHOSPHINIC ACID	ME457604	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID	ME457602	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPOXY]PHOSPHINIC ACID	ME457603	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME457598	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID	ME457599	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME457596	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME457597	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYLOXY]-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPOXY]PHOSPHINIC ACID	ME457595	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOYLOXY]-3-(OCTADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME457594	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOYLOXY]-3-(HEXADECANOYLOXY)PROPOXY]PHOSPHINIC ACID	ME457593	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY]PHOSPHINIC ACID	ME457600	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPOXY]PHOSPHINIC ACID	ME457601	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-AMINO-6-(1-AMINOETHYLIDENEAMINO)HEXANOIC ACID	ME457673	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID	ME457672	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-AMINO-3-(1H-INDOL-3-YL)PROPANOIC ACID	ME457671	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-AMINO-1-PHENYLETHAN-1-ONE	ME457670	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-AMINO-1,1-DIMETHYL-ETHYL)AMINE	ME457592	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-(ACETYLTHIO)ETHYL-TRIMETHYL-AMMONIUM	ME457662	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
[2-[(5Z,8Z,11Z,14Z,17Z)-EICOSA-5,8,11,14,17-PENTAENOYL]OXY-3-HEXADECANOYLOXY-PROPYL] 2-(TRIMETHYLAMMONIO)ETHYL PHOSPHATE	ME457637	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2,5-DIAMINOPENTANOIC ACID	ME457683	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-[[4-(3,12-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)-1-OXOPENTYL]AMINO]ACETIC ACID	ME457669	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-(4-{2-HYDROXY-3-[(PROPAN-2-YL)AMINO]PROPOXY}PHENYL)ACETAMIDE	ME457661	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-(3-CHLOROPHENYL)-3,5,5-TRIMETHYL-MORPHOLIN-2-OL	ME457660	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOYL]AMINO]ACETIC ACID	ME457668	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-[(2R)-PYRROLIDIN-1-IUM-2-YL]ACETATE	ME457666	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457587	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457586	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457588	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457589	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457585	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOYLOXY]-2-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457591	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYPROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457590	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457573	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457572	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-HYDROXY-3-(ICOSANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457571	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457575	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-HYDROXY-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457574	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457564	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-(HEXADECANOYLOXY)-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457565	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-(ACETYLOXY)-3-(HEXADECYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457563	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYLOXY]-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457570	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOYLOXY]-3-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457568	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOYLOXY]-3-(HEXADECYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457567	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOYLOXY]-3-(HEXADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457566	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-HEXAENOYLOXY]-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457569	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2,3-BIS(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457577	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2,3-BIS(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457576	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2,3-BIS[(9Z)-TETRADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457582	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457581	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2,3-BIS[(9Z)-HEXADEC-9-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457580	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457583	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2,3-BIS[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457584	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2,3-BIS[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457579	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
(2-{[(2R)-2,3-BIS[(11Z)-ICOS-11-ENOYLOXY]PROPYL PHOSPHONATO]OXY}ETHYL)TRIMETHYLAZANIUM	ME457578	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-(2,2,2-TRIFLUOROETHYLAMINO)ETHANOL	ME457659	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
2-(1-METHYL-1H-IMIDAZOL-5-YL)ACETIC ACID	ME457658	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-OCTADECANOYL-2-(9E-OCTADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE	ME457653	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-METHYLXANTHINE	ME457652	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-METHYL NICOTINAMIDE	ME457649	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-METHYLHISTAMINE	ME457651	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-METHYLADENOSINE	ME457650	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1~{H}-INDOLE-4-CARBALDEHYDE	ME457657	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-HEXADECYL-2-(9Z-OCTADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE	ME457648	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-HEXADECYL-2-(5Z,8Z,11Z,14Z,17Z-EICOSAPENTAENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE	ME457647	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-HEXADECANOYL-2-DODECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	ME457646	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-HEXADECANOYL-2-(5-OXOVALEROYL)-SN-GLYCERO-3-PHOSPHOCHOLINE	ME457645	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-(4-BROMO-2-FLUORO-PHENYL)PROPAN-1-ONE	ME457644	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1-(3-AMINOPIPERIDINO)ETHANONE	ME457643	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE	ME457656	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE	ME457654	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00
1,2-DIMETHYL-5-NITRO-1H-IMIDAZOLE	ME457655	1.00	1.00	1.00	1.00	1.00	1.00	1.00	1.00

Factors:

F1	Iteration number:1
F2	Iteration number:2
F3	Iteration number:3
F4	Iteration number:4
F5	Iteration number:5
F6	Iteration number:6
F7	Iteration number:7
F8	Iteration number:8

Data matrix