Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST000698

(Analysis AN001084): Average values per metabolite and experimental factor (Units:Peak area normalized)

Metabolite structure	F1	F2	F3
1-(5^-PHOSPHORIBOSYL)-5-AMINO-4-IMIDAZOLECARBOXAMIDE (CAS# 3...	1819.50	3947.00	4365.00
16:0-18:0 PC (CAS# 59403-51-9); (M+H)+	52558.70	46093.20	48313.70
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+	514210.30	451216.50	481620.50
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+	66918.50	77383.20	75490.30
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+	404056.40	435680.40	399336.00
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+	-	-	6681.00
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+	109113.43	78329.44	130210.00
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+	3091.38	4088.89	4418.44
1-METHYLNICOTINAMIDE (CAS# ); M+	233998.33	145387.17	158772.88
1-METHYLXANTHINE (CAS# 6136-37-4); (M+H)+	1176626.60	1046877.30	629955.00
1-METHYLXANTHINE (CAS# 6136-37-4); (M+NA)+	9146.10	7065.38	4538.57
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+	37803.38	21531.14	22963.38
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+	-	4144.00	3558.67
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+	-	61196.25	34762.60
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+	3005045.60	1998567.90	1381601.10
2-METHYLMALEATE (CAS# 498-23-7); (M+H)+	-	7054.75	5500.40
3-AMINOISOBUTANOATE (CAS# 144-90-1); (M+H)+[-H2O]	7035.50	13515.60	5631.33
3^-CMP (CAS# 63-37-6); (M+H)+	65478.78	67242.60	69369.30
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA)+	-	4668.00	6020.00
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+	1949.75	2762.33	8311.50
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M+NA)+	24306.00	28646.90	29680.00
4-HYDROXY-3-METHOXYPHENYLGLYCOL (CAS# 67423-45-4); (M+H)+[-H...	38107.29	40539.00	41409.33
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O]	62978.50	48426.50	48597.60
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+	3365956.30	1930349.20	1192154.30
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+	134155.10	89475.70	68925.30
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+	2907.78	1886.14	1728.57
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+	1180826.14	1171004.88	779745.14
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+	1949.75	2371.33	8676.17
ACETOACETATE (CAS# 541-50-4); (M+H)+	2941.25	3055.50	2422.50
ACETYLCARNITINE (CAS# 461-77-8); (M+H)+	1345453.33	867187.50	243199.50
ACETYLCHOLINE (CAS# 51-84-3); M+	25491.00	16159.75	11696.29
ADENINE (CAS# 73-24-5); (M+H)+	74072.86	60607.62	66391.80
ADENOSINE 5^-DIPHOSPHATE (CAS# 58-64-0); (M+H)+	207443.10	160012.60	143641.60
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+	150896.50	91059.78	121896.80
ADENOSINE (CAS# 58-61-7); (M+H)+	3003413.90	1997694.80	1381601.10
ADP-RIBOSE (CAS# ); (M+H)+[-H2O]	40514.70	33116.80	35338.50
ADP-RIBOSE (CAS# ); (M+NA)+	-	2054.50	1534.67
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]	-	5535.00	5964.67
ASPARTATE (CAS# 56-84-8); (M+H)+	25866.89	31549.75	34427.90
AZELAIC ACID (CAS# 123-99-9); (M+NA)+	13304.00	21398.25	43825.12
BETA-ALANINE (CAS# 107-95-9); (M+H)+	177209.00	160012.71	162425.43
BETAINE (CAS# 107-43-7); (M+H)+	3311439.20	2052052.80	1187143.30
BETAINE (CAS# 107-43-7); (M+NA)+	5365.80	10296.20	10683.38
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+	10400.78	11085.11	10407.33
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+H)+	116904.44	120267.70	134999.30
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+	6247271.80	6746265.10	6686207.90
BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+	125430.40	69492.00	48032.00
CARNITINE (CAS# 541-15-1); (M+H)+	54570.25	58719.20	35651.75
CARNOSINE (CAS# 305-84-0); (M+H)+	3503.60	1793.50	3087.60
CARNOSINE (CAS# 305-84-0); (M+NA)+	7172.50	2990.67	-
CELLOBIOSE (CAS# 528-50-7); (M+NA)+	10390.11	11085.11	9309.00
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]	62749.80	48859.90	48583.70
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); M+[-HSO4]	-	-	2383.67
CHOLINE (CAS# 62-49-7); M+	17264.60	23324.88	25861.40
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+	1181518.80	1005008.70	1154177.89
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+	67942.75	60006.67	20090.75
CIS-VACCENIC ACID (CAS# 506-17-2); (M+K)+	2823.43	4037.00	3686.60
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+	1745602.00	1811592.30	1746048.80
CITRATE (CAS# 77-92-9); (M+NA)+	118682.00	123286.67	115676.40
CITRULLINE (CAS# 372-75-8); (M+H)+	3911.00	1838.67	2481.75
CITRULLINE (CAS# 372-75-8); (M+NA)+	76098.67	34625.33	1504.50
CMP (CAS# 63-37-6); (M+H)+	74509.78	67224.90	69769.10
(-)-COTININE (CAS# 486-56-6); (M+H)+	21724.40	24252.80	18025.00
CREATINE (CAS# 57-00-1); (M+H)+	3703280.22	3118647.50	3799123.10
CREATININE (CAS# 60-27-5); (M+H)+	61828.33	47175.80	39911.86
CYSTATHIONINE (CAS# 56-88-2); (M+NA)+	-	1158.00	-
CYTIDINE 5^-DIPHOSPHATE (CAS# 63-38-7); (M+H)+	-	-	17914.00
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+H)+	4190.50	4233.60	3816.57
CYTOSINE (CAS# 71-30-7); (M+H)+	23616.00	19419.20	24874.67
DECANOATE (CAS# 334-48-5); (2M+NA)+	14751.22	12352.29	11655.75
DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+	1925.50	3394.50	2084.50
DETHIOBIOTIN (CAS# 533-48-2); (M+NA)+	1530.00	2572.00	2002.00
D-GALACTOSAMINE (CAS# 7535-00-4); (M+H)+[-H2O]	14064.83	6314.33	12192.33
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M+K)+	27224.43	16015.20	14426.50
DGMP (CAS# 902-04-5); (M+H)+	47098.30	44159.00	37684.90
D-MANNOSAMINE (CAS# 14307-02-9); (M+H)+[-H2O]	14064.83	6314.33	12192.33
D-ORNITHINE (CAS# 348-66-3); (M+H)+	2336.89	2766.20	2829.67
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]	12245.00	12607.60	10703.00
EDTA (CAS# 60-00-4); (M+H)+	-	11460.40	26004.40
EICOSATRIENOYLCARNITINE (*) (CAS# 000-00-0); M+	3605.00	2863.50	4540.50
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+	17054.20	19207.33	12908.40
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+H)+	434030.40	500249.60	536001.10
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+NA)+	5664888.90	5755648.90	5722384.20
ERYTHRITOL (CAS# 149-32-6); (M+NA)+	21793.60	19532.17	17874.67
ETHYLMALONIC ACID (CAS# 601-75-2); (M+NA)+	33159.43	73492.29	33897.62
FLAVIN ADENINE DINUCLEOTIDE (CAS# 146-14-5); (M+H)+	3897.83	3152.20	2868.20
FLUCYTOSINE (CAS# 2022-85-7); (M+H)+	1188743.50	929197.75	711291.50
FOLIC ACID (CAS# 59-30-3); (M+H)+	27475.50	35866.50	21666.70
FOLIC ACID (CAS# 59-30-3); (M+NA)+	7473.30	10051.40	5668.00
FRUCTOSE (CAS# 57-48-7); (M+NA)+	404848.00	1084483.14	647983.17
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+	21022.00	12624.62	13749.70
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M+H)+[-H2O]	247277.60	148795.60	126624.10
GDPMANNOSE (CAS# ); (M+H)+	2363.40	3095.33	2786.00
GDPMANNOSE (CAS# ); (M+NA)+	1320.00	1434.00	1482.00
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+	41324.60	43501.70	46725.40
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]	10493.00	11479.83	8495.00
GLUCOSE (CAS# 50-99-7); (M+NA)+	148020.20	573038.20	451109.62
GLUTAMATE (CAS# 56-86-0); (M+H)+	2082167.78	2069545.60	2498052.11
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]	499005.88	437260.60	512039.90
GLUTAMINE (CAS# 56-85-9); (M+NA)+	37614.00	76600.00	69699.25
GLUTARYLCARNITINE (*) (CAS# 102636-82-8); (M+H)+	10276.90	11436.30	7268.78
GLUTATHIONE (CAS# 27025-41-8); (M+H)+	932027.00	721327.00	514731.90
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2	4409459.40	3780736.80	2734570.10
GLYCOCHENODEOXYCHOLATE (CAS# 640-79-9); (M+NA)+	1530.67	3205.25	1723.75
GUANINE (CAS# 73-40-5); (M+H)+	92358.17	125339.83	86085.50
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M+H)+	26480.38	24991.50	30771.62
GUANOSINE (CAS# 118-00-3); (M+H)+	105285.80	103089.10	69512.70
HIPPURATE (CAS# 495-69-2); (M+NA)+	14889.12	22986.00	8371.67
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+	66807.90	71552.40	52587.90
INOSINE 5^-PHOSPHATE (CAS# 131-99-7); (M+H)+	-	11186.50	5278.00
INOSINE (CAS# 58-63-9); (M+NA)+	30762.89	33282.90	28019.17
ISO-BUTYRYLCARNITINE (*) (CAS# 25576-40-3); (M+H)+	125430.40	67186.20	47023.50
ISOLEUCINE (CAS# 73-32-5); (M+H)+	19858269.90	17608796.30	8916013.60
ISOLEUCINE (CAS# 73-32-5); (M+NA)+	34313.44	33124.14	27073.17
ISOVALERYLCARNITINE (*) (CAS# 31023-24-2); (M+H)+	107916.30	52898.70	33207.60
KYNURENINE (CAS# 343-65-7); (M+H)+	17173.83	16901.20	10090.14
LACTOSE (CAS# 63-42-3); (M+K)+	13600.00	12272.83	11448.20
LACTOSE (CAS# 63-42-3); (M+NA)+	10906.00	12627.62	10638.50
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]	98736.11	124134.80	113782.30
LANOSTEROL (CAS# 79-63-0); (M+NA)+	6101.00	1908.00	-
L-ARGININE (CAS# 74-79-3); (M+H)+	85353.22	118662.20	105464.50
L-ARGININE (CAS# 74-79-3); (M+NA)+	9126.57	14632.33	12060.90
LEUCINE (CAS# 328-39-2); (M+H)+	21930000.00	20130000.00	12385701.50
LEUCINE (CAS# 328-39-2); (M+NA)+	33824.33	31465.71	27073.17
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]	14386.00	13337.00	8862.00
L-HISTIDINE (CAS# 71-00-1); (M+H)+	42841.62	39812.00	33089.10
L-HISTIDINE (CAS# 71-00-1); (M+NA)+	7852.17	10427.40	6150.33
LINOLEOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+	2354.00	-	2023.50
L-ORNITHINE (CAS# 70-26-8); (M+H)+	2215.78	2557.10	2571.44
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+	713222.10	807634.80	831996.50
LUMICHROME (CAS# 1086-80-2); (M+NA)+	4923.14	4295.60	6821.75
LYSINE (CAS# 56-87-1); (M+H)+	144162.50	174784.90	156026.20
MALATE (CAS# 636-61-3); (M+NA)+	16072.00	14624.33	26535.00
MALTOSE (CAS# 69-79-4); (M+NA)+	10699.56	12492.62	10651.17
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M+H)+[-H2O]	2893.00	3151.75	2960.80
MELIBIOSE (CAS# 585-99-9); (M+K)+	13600.00	12272.83	11168.40
MELIBIOSE (CAS# 585-99-9); (M+NA)+	10390.11	11085.11	9309.00
METHIONINE (CAS# 63-68-3); (M+H)+	2999214.70	2965015.30	2080811.60
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+	8371.60	2285.67	6864.75
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+	30396.80	31461.11	30829.80
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+	148052.20	582426.40	451109.62
MYRISTOYLCARNITINE (*) (CAS# 000-00-0); (M+H)+	2413.80	2091.62	2361.70
N1-ACETYLSPERMINE (CAS# 77928-70-2); (M+H)+	9772.67	24573.22	7532.22
N-ACETYL-D-GLUCOSAMINE (CAS# 7512-17-6); (M+H)+[-H2O]	54488.00	178966.20	17265.75
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (2M+NA)+	1780.00	-	1229.00
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+	88072.40	64052.50	53621.14
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+H)+[-H2O]	30425.29	18904.75	16978.00
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+	78201.33	46710.33	48396.33
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+	6149.17	2159.00	1672.67
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+	12338.38	6220.44	5279.20
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+	1742211.00	2127402.70	2042407.33
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]	780144.60	400360.30	395830.50
N-ACETYLGALACTOSAMINE (CAS# 1811-31-0); (M+H)+[-H2O]	54488.00	178966.20	15967.00
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+	3667.60	4717.33	4006.00
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+	112797.38	95474.60	96570.20
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+H)+[-H2O]	62516.33	57290.83	58448.50
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+	32091.30	29038.10	30654.90
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+	3915.86	4615.00	3587.56
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+	41802.10	47220.50	37978.80
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+H)+	46666.33	30825.12	21854.67
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M+NA)+	28696.00	34162.00	-
NAD (CAS# 53-84-9); (M+2H)+2	479491.80	378256.80	332015.20
NAD (CAS# 53-84-9); (M+H)+	510762.30	298794.80	231755.10
NAD (CAS# 53-84-9); (M+NA)+	11546.80	10408.80	9663.80
N-ALPHA-ACETYL-L-LYSINE (CAS# 1946-82-3); (M+H)+	18472.00	13930.67	7907.00
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+H)+	18372.50	21382.60	15464.11
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+	18321.43	21646.75	13835.57
NICOTINAMIDE (CAS# 98-92-0); (M+H)+	729559.89	733751.00	549129.00
N-METHYL-D-ASPARTIC ACID (CAS# 6384-92-5); (M+H)+	2105578.78	2081384.20	2526535.56
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+	20433.50	37377.80	21650.33
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+H)+	3463.00	-	3390.00
NORADRENALINE (CAS# 51-41-2); (M+H)+	356565.78	454390.30	312678.30
NORLEUCINE (CAS# 327-57-1); (M+H)+	21930000.00	20130000.00	12385701.50
NORMETANEPHRINE (CAS# 97-31-4); (M+H)+[-H2O]	327573.40	431738.90	466160.80
NORVALINE (CAS# 6600-40-4); M+[-CO2H]	2412444.60	2134851.10	1222576.30
NORVALINE (CAS# 6600-40-4); (M+H)+	3895466.50	3174103.80	2221221.90
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+	8407.50	8406.50	8727.00
OLEAMIDE (CAS# 301-02-0); (M+H)+	10148.14	12246.33	21191.86
OLEAMIDE (CAS# 301-02-0); (M+NA)+	70386.00	113679.00	174323.60
OLEIC ACID (CAS# 112-80-1); (M+H)+	1461.00	-	1398.00
OLEIC ACID (CAS# 112-80-1); (M+NA)+	33389.40	46309.67	41210.90
OLEOYLCARNITINE (*) (CAS# 13962-05-5); (M+H)+	11198.50	8977.50	10406.20
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+H)+	7907.33	8503.67	6781.33
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (2M+NA)+	3491.00	-	1918.50
O-PHOSPHO-DL-SERINE (CAS# 17885-08-4); (M+NA)+	11846.14	23100.43	17671.00
O-PHOSPHOSERINE (CAS# 407-41-0); (M+NA)+	11846.14	22247.00	17671.00
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+	91305.33	47057.86	31062.44
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2	4409382.20	3780680.40	2734238.90
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+	932310.50	721327.00	514731.90
PALATINOSE (CAS# 343336-76-5); (M+NA)+	10400.78	11085.11	10407.33
PALMITOLEYLCARNITINE (*) (CAS# 000-00-0); M+	4110.50	1736.60	2354.29
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+	7771.70	7110.30	8089.70
PANTOTHENATE (CAS# 79-83-4); (M+H)+	1198396.30	936377.40	661948.60
PANTOTHENATE (CAS# 79-83-4); (M+NA)+	1027380.90	735545.90	536586.00
PHENYLALANINE (CAS# 63-91-2); (M+H)+	139210.20	258331.00	209564.80
PHENYLALANINE (CAS# 63-91-2); (M+NA)+	2505.71	2495.40	2827.67
PHENYLHYDRAZINE (CAS# 100-63-0); (M+H)+	4580.25	7494.43	3967.33
PHOSPHOCREATINE (CAS# 67-07-2); (M+H)+	358277.14	97592.30	117386.00
PINITOL (CAS# 10284-63-6); (M+NA)+	8672.25	2710.50	8478.25
PIPECOLATE (CAS# 535-75-1); (M+NA)+	79251.70	79567.90	40549.70
PROCOLLAGEN 5-HYDROXY-L-LYSINE (CAS# 1190-94-9); (M+H)+	21885.88	6952.40	4801.67
PROLINE (CAS# 147-85-3); (M+H)+	2429248.50	1602190.50	1458351.10
PROPIONYLCARNITINE (*) (CAS# 17298-37-2); (M+H)+	451579.50	311432.60	233399.20
PURINE (CAS# 120-73-0); (M+H)+	89834.50	60825.50	107746.75
PYRIDOXAL (CAS# 66-72-8); (M+H)+	25710.40	17012.50	18750.33
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (M+H)+	10702.80	7730.56	7623.00
PYRIDOXINE (CAS# 65-23-6); (M+H)+	787594.44	752112.70	368032.40
RAC-GLYCEROL 1-MYRISTATE (CAS# 75685-84-6); (M+NA)+	22767.00	21651.50	20462.60
RIBOFLAVIN (CAS# 83-88-5); (M+H)+	7373.40	8834.70	5150.50
RIBOFLAVIN (CAS# 83-88-5); (M+NA)+	7436.40	9134.30	5292.40
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+	20194.60	11619.60	5242.10
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+	58239.89	53882.90	43003.70
SARCOSINE (CAS# 107-97-1); (M+H)+	177209.00	158089.86	162425.43
SERINE (CAS# 56-45-1); (M+H)+	21773.75	17375.00	13192.43
SEROTONIN (CAS# 50-67-9); (M+H)+	21449.80	24145.60	17663.44
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+	4979963.38	3796820.80	2751763.30
SPERMIDINE (CAS# 124-20-9); (M+H)+	325588.00	242319.90	145272.44
SPERMINE (CAS# 71-44-3); (M+H)+	378240.00	350456.40	255884.00
SPHINGANINE (CAS# 764-22-7); (M+H)+	5808.17	3349.89	3402.00
SPHINGOSINE (CAS# 123-78-4); (M+H)+	31213.50	25277.60	22386.60
SPHINGOSINE (CAS# 123-78-4); (M+H)+[-H2O]	9931.40	7984.67	6994.40
SPHINGOSINE (CAS# 123-78-4); (M+NA)+	44694.89	35295.50	33583.00
STACHYOSE (CAS# 54261-98-2); (M+K)+	3495.20	1202.00	1054.00
STACHYOSE (CAS# 54261-98-2); (M+NA)+	5955.00	1428.00	1078.00
STEAROYLCARNITINE (*) (CAS# 1976-27-8); (M+H)+	7500.44	7465.70	8508.89
SUBERIC ACID (CAS# 505-48-6); (M+NA)+	4200.78	6051.75	14475.50
SUCROSE (CAS# 57-50-1); (M+NA)+	10445.11	11085.11	10407.33
TAURINE (CAS# 107-35-7); (M+H)+	-	-	4954.00
TAURINE (CAS# 107-35-7); (M+K)+	5878.33	3759.00	5347.00
TAURINE (CAS# 107-35-7); (M+NA)+	9957.75	5460.00	4930.50
THIAMIN (CAS# 59-43-8); M+	173769.80	311490.67	265756.43
THIAMIN (CAS# 59-43-8); M+[-C6H9NOS]	16696.20	24365.00	19039.50
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]	95373.20	87084.60	113782.30
THYMIDINE 5^-MONOPHOSPHATE (CAS# 365-07-1); (2M+NA)+	33204.00	14251.00	14130.00
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+	87818.67	79438.67	62304.00
TYROSINE (CAS# 60-18-4); (M+H)+	5822089.00	6598712.70	4509021.60
TYROSINE (CAS# 60-18-4); (M+NA)+	5038.00	28909.33	14443.50
UDP-N-ACETYL-D-GALACTOSAMINE (CAS# ); (M+NA)+	28214.70	42063.50	32897.70
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+	46405.75	25215.33	31470.00
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+NA)+	20914.22	22232.60	30799.33
URIDINE (CAS# 58-96-8); (M+NA)+	-	4956.00	-
UROCANATE (CAS# 104-98-3); (M+H)+	3152.67	16888.50	41680.33
VALINE (CAS# 72-18-4); (M+H)+	3901249.50	3167225.30	2222551.40
VALINE (CAS# 72-18-4); (M+NA)+	5800.60	12314.88	11054.38
XANTHINE (CAS# 69-89-6); (M+H)+	22515.00	29368.33	18244.10
XANTHOSINE (CAS# 146-80-5); (M+H)+	16824.80	12228.00	11141.00
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+	1745601.30	1811592.30	1746048.80

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