Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000698)

(Analysis AN001083)

Metabolite	Structure	F1	F2	F3	F4
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-	ME198309	NA	1.98	NA	0.72
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-	ME198306	1.09	0.99	NA	0.92
PALATINOSE (CAS# 343336-76-5); (M+CL)-	ME198449	0.96	1.08	NA	0.91
CREATINE (CAS# 57-00-1); (M-H)-	ME198340	0.98	0.93	NA	1.12
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-	ME198437	1.39	0.81	NA	0.64
3-PHOSPHOGLYCERATE (CAS# ); (M-H)-	ME198294	1.27	0.67	NA	1.06
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-	ME198384	1.03	0.84	NA	1.08
PHENYLALANINE (CAS# 63-91-2); (M-H)-	ME198457	1.16	1.11	NA	0.73
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-	ME198346	0.46	1.84	NA	0.39
N-ACETYL-D-MANNOSAMINE (CAS# 3615-17-6); (M+CL)-	ME198433	1.38	0.88	NA	0.64
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-	ME198313	1.19	0.97	NA	0.83
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)-	ME198475	1.19	0.81	NA	0.98
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-	ME198282	0.88	0.99	NA	1.12
GLUTAMINE (CAS# 56-85-9); (M-H)-	ME198386	0.62	2.02	NA	0.43
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-	ME198333	1.08	1.01	NA	0.90
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-	ME198467	0.92	1.21	NA	0.82
DIACETYL (CAS# 431-03-8); (M+HCOO)-	ME198358	0.96	1.23	NA	0.79
MALTOSE (CAS# 69-79-4); (M+CL)-	ME198420	0.96	1.08	NA	0.92
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-	ME198383	1.00	0.95	NA	1.11
HEPTADECANOATE (CAS# 506-12-7); (M-H)-	ME198395	1.04	1.03	NA	0.93
L-ARGININE (CAS# 74-79-3); (M-H)-	ME198404	0.86	1.37	NA	0.78
SUCROSE (CAS# 57-50-1); (M+HCOO)-	ME198481	0.72	0.94	NA	1.28
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-	ME198390	0.98	0.99	NA	1.03
TYROSINE (CAS# 60-18-4); (M-H)-	ME198488	1.12	1.06	NA	0.80
4-NITROPHENOL (CAS# 100-02-7); (M-H)-	ME198302	0.75	1.09	NA	1.16
RIBOFLAVIN (CAS# 83-88-5); (M-H)-	ME198468	1.22	1.04	NA	0.67
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-	ME198369	1.00	1.05	NA	0.94
SUCROSE (CAS# 57-50-1); (M+CL)-	ME198480	1.00	1.06	NA	0.90
PALMITATE (CAS# 57-10-3); (M-H)-	ME198451	0.94	1.00	NA	1.05
PANTOTHENATE (CAS# 79-83-4); (M-H)-	ME198454	1.26	0.97	NA	0.77
MYRISTIC ACID (CAS# 544-63-8); (M-H)-	ME198430	0.96	1.03	NA	1.01
FOLIC ACID (CAS# 59-30-3); (M-H)-	ME198367	0.92	1.27	NA	0.80
RIBOSE (CAS# 50-69-1); (M+CL)-	ME198469	0.88	1.11	NA	1.04
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+CL)-	ME198343	1.02	0.92	NA	1.07
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)-	ME198474	1.11	0.85	NA	1.04
DGMP (CAS# 902-04-5); (M-H)-	ME198357	1.29	0.81	NA	0.93
GLUTATHIONE (CAS# 27025-41-8); (M-H)-	ME198388	1.03	1.06	NA	0.90
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-	ME198458	1.70	0.45	NA	0.71
GLUCOSE (CAS# 50-99-7); (2M+CL)-[-H2O]	ME198380	0.70	1.24	NA	0.95
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-	ME198441	1.75	0.38	NA	0.62
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-	ME198286	0.54	0.88	NA	1.41
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-	ME198371	1.03	0.84	NA	1.08
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+CL)-	ME198432	1.38	0.87	NA	0.64
GLUCOSE (CAS# 50-99-7); (M+CL)-	ME198381	0.96	1.21	NA	0.83
PHTHALATE (CAS# 88-99-3); (M-H)-	ME198459	0.79	0.91	NA	1.14
CELLOBIOSE (CAS# 528-50-7); (M+CL)-	ME198331	0.96	1.08	NA	0.92
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-	ME198448	1.03	1.06	NA	0.90
GUANOSINE (CAS# 118-00-3); (M-H)-	ME198392	1.16	1.05	NA	0.72
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-	ME198422	1.11	0.93	NA	0.96
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-	ME198285	1.11	1.03	NA	0.90
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)+[-H2O]	ME198491	0.74	1.32	NA	0.94
OLEIC ACID (CAS# 112-80-1); (M-H)-	ME198446	1.09	1.05	NA	0.85
MALATE (CAS# 97-67-6); (M-H)+[-H2O]	ME198417	1.14	0.91	NA	0.59
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-	ME198301	0.76	1.12	NA	1.12
LYSINE (CAS# 56-87-1); (M-H)-	ME198416	0.98	1.09	NA	0.92
SUCCINATE (CAS# 110-15-6); (M-H)-	ME198479	0.98	1.11	NA	0.91
FUMARATE (CAS# 110-17-8); (M-H)-	ME198370	1.05	1.09	NA	0.79
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-	ME198410	0.81	1.12	NA	1.07
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-	ME198287	1.08	1.29	NA	0.55
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-	ME198408	1.16	1.04	NA	0.89
TAURINE (CAS# 107-35-7); (M-H)-	ME198482	1.68	0.65	NA	0.71
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-	ME198375	0.81	1.07	NA	1.12
ISOLEUCINE (CAS# 73-32-5); (M-H)-	ME198403	1.20	1.10	NA	0.75
STEARATE (CAS# 57-11-4); (M-H)-	ME198477	0.78	1.20	NA	1.02
TRANS-4-HYDROXYPROLINE (CAS# 51-35-4); (M-H)-	ME198484	1.22	0.88	NA	0.76
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-	ME198360	1.50	0.98	NA	0.59
DECANOATE (CAS# 334-48-5); (M-H)-	ME198353	0.59	1.25	NA	1.23
D-PSICOSE (CAS# 551-68-8); (M+CL)-	ME198351	0.96	1.22	NA	0.83
ARACHIDONATE (CAS# 506-32-1); (M-H)-	ME198324	1.13	1.02	NA	0.85
LAURIC ACID (CAS# 143-07-7); (M-H)-	ME198412	0.94	1.06	NA	1.01
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)-	ME198427	1.13	0.86	NA	1.07
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M-H)-	ME198492	1.25	0.81	NA	0.94
NORLEUCINE (CAS# 327-57-1); (M-H)-	ME198445	1.20	1.10	NA	0.75
MELIBIOSE (CAS# 585-99-9); (M+CL)-	ME198423	0.96	1.09	NA	0.91
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M-H)-	ME198442	1.10	0.97	NA	0.93
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-	ME198299	1.18	1.18	NA	0.64
D-LYXOSE (CAS# 1114-34-7); (M-H)-	ME198350	1.06	1.05	NA	0.86
SERINE (CAS# 56-45-1); (M-H)-	ME198473	1.01	0.93	NA	1.04
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M-H)-	ME198463	1.10	0.90	NA	0.98
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-	ME198303	1.20	1.01	NA	0.79
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-	ME198376	0.85	1.06	NA	1.10
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-	ME198293	0.45	0.63	NA	1.83
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-	ME198308	1.14	0.48	NA	1.77
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-	ME198300	0.80	1.12	NA	1.01
5-AMINOLEVULINATE (CAS# 106-60-5); (M-H)-	ME198305	1.15	0.93	NA	0.73
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-	ME198335	1.09	1.05	NA	0.85
GLUCONIC ACID (CAS# 526-95-4); (M-H)-	ME198379	0.56	1.10	NA	1.43
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M-H)-	ME198470	1.22	0.95	NA	0.82
ADENOSINE (CAS# 58-61-7); (M+HCOO)-	ME198312	1.57	0.84	NA	0.56
UDP-GLUCOSE (CAS# 133-89-1); (M-H)-	ME198490	1.41	0.64	NA	0.83
MALTOSE (CAS# 69-79-4); (M+HCOO)-	ME198421	0.72	0.94	NA	1.28
PURINE (CAS# 120-73-0); (M-H)-	ME198462	1.14	1.24	NA	0.39
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-	ME198314	0.54	0.84	NA	1.47
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]	ME198389	1.14	1.15	NA	0.62
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-	ME198349	0.55	1.11	NA	1.43
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-	ME198447	0.92	1.15	NA	0.93
ADENINE (CAS# 73-24-5); (M-H)-	ME198311	1.08	0.93	NA	1.02
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-	ME198320	1.05	1.04	NA	0.89
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-	ME198362	0.83	1.05	NA	1.11
L-GULONATE (CAS# 6322-07-2); (M-H)-	ME198406	0.55	1.11	NA	1.43
L-HISTIDINE (CAS# 71-00-1); (M-H)-	ME198407	1.03	1.16	NA	0.82
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M-H)-	ME198366	1.35	0.91	NA	0.78
ARABITOL (CAS# 7643-75-6); (M+CL)-	ME198322	1.49	NA	NA	0.75
MALEIC ACID (CAS# 110-16-7); (M-H)-	ME198419	1.00	0.88	NA	1.12
CIS-ACONITATE (CAS# 585-84-2); (M-H)-	ME198334	1.92	0.89	NA	0.46
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)-	ME198279	1.20	1.13	NA	0.69
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-	ME198485	1.91	0.83	NA	0.52
CYTIDINE (CAS# 65-46-3); (M-H)-	ME198342	1.16	0.84	NA	1.02
NERVONIC ACID (CAS# 506-37-6); (M-H)-	ME198444	1.07	0.92	NA	0.99
LINOLEATE (CAS# 60-33-3); (M-H)-	ME198415	1.14	1.03	NA	0.83
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-	ME198409	0.90	1.01	NA	1.09
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-	ME198489	1.26	0.73	NA	0.93
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)-	ME198394	2.25	1.13	NA	0.73
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ); (M-H)-	ME198284	0.39	0.93	NA	1.47
GDPMANNOSE (CAS# ); (M-H)-	ME198374	1.17	0.98	NA	0.85
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-	ME198291	0.88	1.16	NA	0.96
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-	ME198440	0.11	1.31	NA	1.38
HIPPURATE (CAS# 495-69-2); (M-H)-	ME198396	0.95	1.39	NA	0.66
PANTOTHENATE (CAS# 79-83-4); (M+CL)-	ME198453	1.24	0.99	NA	0.78
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]	ME198328	1.31	0.07	NA	NA
SUBERIC ACID (CAS# 505-48-6); (M-H)-	ME198478	0.71	0.81	NA	1.48
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-	ME198487	NA	1.26	NA	0.23
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-	ME198465	1.09	0.81	NA	1.08
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M-H)-	ME198436	1.09	0.95	NA	0.95
ADPGLUCOSE (CAS# ); (M-H)-	ME198316	1.36	0.87	NA	0.84
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-	ME198329	0.96	1.08	NA	0.92
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-	ME198298	1.17	1.17	NA	0.66
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-	ME198323	1.04	1.10	NA	0.85
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-	ME198332	2.04	0.50	NA	0.99
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-	ME198452	0.99	1.03	NA	0.98
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-	ME198310	0.45	0.63	NA	1.83
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-	ME198486	1.09	1.05	NA	0.85
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-	ME198292	0.54	0.84	NA	1.47
D-LYXOSE (CAS# 1114-34-7); (M+CL)-	ME198348	0.88	1.09	NA	1.05
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-	ME198283	1.12	1.03	NA	0.85
LEUCINE (CAS# 328-39-2); (M-H)-	ME198413	1.20	1.10	NA	0.75
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-	ME198363	0.82	1.08	NA	1.10
FRUCTOSE (CAS# 57-48-7); (M+CL)-	ME198368	0.96	1.21	NA	0.83
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-	ME198429	0.50	0.88	NA	1.53
CITRULLINE (CAS# 372-75-8); (M-H)-	ME198339	1.24	0.99	NA	0.92
NAD (CAS# 53-84-9); (M-H)-	ME198443	1.11	1.06	NA	0.83
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M-H)-	ME198434	1.52	0.82	NA	0.60
INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M-H)-	ME198401	1.35	0.90	NA	0.91
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]	ME198378	1.38	0.83	NA	0.79
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-	ME198372	0.96	1.23	NA	0.79
ADP-RIBOSE (CAS# ); (M-H)-	ME198315	0.89	1.11	NA	1.01
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-	ME198355	1.05	0.84	NA	1.08
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-	ME198344	0.56	1.10	NA	1.43
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)-	ME198319	1.11	0.93	NA	0.96
SALICYLATE (CAS# 69-72-7); (M-H)-	ME198471	0.46	0.97	NA	1.57
INOSINE (CAS# 58-63-9); (M-H)-	ME198400	1.16	1.05	NA	0.77
GUANOSINE 5^-DIPHOSPHO-BETA-L-FUCOSE (CAS# 0); (M-H)-	ME198393	1.37	0.87	NA	0.84
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-	ME198359	0.85	0.92	NA	1.19
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-	ME198347	1.11	0.93	NA	0.96
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-	ME198337	0.92	1.10	NA	0.98
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-	ME198280	0.94	1.08	NA	0.98
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-	ME198330	0.72	0.94	NA	1.28
MALATE (CAS# 97-67-6); (M-H)-	ME198418	1.14	1.04	NA	0.82
GLUTAMATE (CAS# 56-86-0); (M-H)-	ME198385	1.10	0.97	NA	0.92
ELAIDIC ACID (CAS# 112-79-8); (M-H)-	ME198361	1.09	1.05	NA	0.85
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-	ME198281	0.90	1.07	NA	1.03
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]	ME198318	1.24	1.11	NA	0.65
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-	ME198377	0.88	1.01	NA	1.11
THREONINE (CAS# 72-19-5); (M+HCOO)-[-H2O]	ME198483	1.11	0.97	NA	0.91
SEBACIC ACID (CAS# 111-20-6); (M-H)-	ME198472	0.82	0.91	NA	1.27
METHYLMALONATE (CAS# 516-05-2); (M-H)-	ME198428	0.98	1.11	NA	0.91
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]	ME198405	NA	1.06	NA	0.93
LIGNOCERIC ACID (CAS# 557-59-5); (M-H)-	ME198414	0.93	1.07	NA	1.01
METHIONINE (CAS# 63-68-3); (M-H)-	ME198425	1.07	1.01	NA	0.92
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-	ME198435	1.46	0.85	NA	0.60
LACTOSE (CAS# 63-42-3); (M+CL)-	ME198411	0.96	1.08	NA	0.92
ISOCITRATE (CAS# 320-77-4); (M-H)-	ME198402	1.30	0.88	NA	0.82
GLUTARATE (CAS# 110-94-1); (M-H)-	ME198387	0.96	1.23	NA	0.79
4-HYDROXY-L-PROLINE (CAS# 2584-71-6); (M-H)-	ME198296	1.19	0.92	NA	0.83
ASPARTATE (CAS# 56-84-8); (M-H)-	ME198325	1.02	0.93	NA	1.04
STACHYOSE (CAS# 54261-98-2); (M+CL)-	ME198476	1.49	0.28	NA	0.75
ALLANTOIN (CAS# 97-59-6); (M-H)-	ME198317	0.90	1.23	NA	0.88
BENZOATE (CAS# 65-85-0); (M-H)-	ME198327	0.87	1.14	NA	0.99
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-	ME198382	1.11	0.93	NA	0.96
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-	ME198450	0.72	0.94	NA	1.28
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-	ME198356	1.47	0.84	NA	0.67
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-	ME198297	0.87	1.14	NA	0.99
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-	ME198365	0.30	1.17	NA	NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-	ME198289	1.42	0.71	NA	0.77
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-	ME198295	1.20	0.95	NA	1.01
D-TAGATOSE (CAS# 87-81-0); (M+CL)-	ME198352	0.96	1.21	NA	0.83
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-	ME198290	1.19	1.15	NA	0.66
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-	ME198307	1.56	0.58	NA	NA
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-	ME198336	0.88	1.15	NA	0.97
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+CL)-	ME198439	1.37	0.88	NA	0.64
PHYTANATE (CAS# 14721-66-5); (M-H)-	ME198460	0.99	1.05	NA	0.95
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-	ME198345	0.46	1.84	NA	0.39
AZELAIC ACID (CAS# 123-99-9); (M-H)-	ME198326	0.68	0.81	NA	1.51
CITRATE (CAS# 77-92-9); (M-H)-	ME198338	1.30	0.94	NA	0.76
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-	ME198304	1.32	0.90	NA	0.77
GUANOSINE (CAS# 118-00-3); (M+CL)-	ME198391	0.82	0.97	NA	1.47
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-	ME198288	0.96	0.99	NA	1.06
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-	ME198455	1.38	0.71	NA	0.82
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-	ME198354	1.52	0.84	NA	0.38
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR L-MIMOSINE (CAS# 500-44-7); (M-H)-	ME198278	0.62	1.14	NA	1.34
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-	ME198364	0.39	0.93	NA	1.46
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-	ME198341	0.68	0.81	NA	1.51
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-	ME198438	1.36	0.90	NA	0.77
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-	ME198399	0.96	1.11	NA	0.94
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-	ME198424	0.77	0.91	NA	1.23

Factors:

F1	Condition:no \| KD#1:no \| KD#2:yes
F2	Condition:no \| KD#1:yes \| KD#2:no
F3	Condition:Pooled melanoma \| KD#1:Pooled melanoma \| KD#2:Pooled melanoma
F4	Condition:yes \| KD#1:no \| KD#2:no

Data matrix