Metabolomics Workbench : NIH Data Repository : Analyze Studies

Data for ST000523

(Analysis AN000798): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structure	F1	F2	F3	F4	F5	F6	F7	F8
1,3,7-TRIMETHYLURIC ACID (M+H)+	14486.00	33942.91	48898.04	47321.00	44515.40	42154.71	35027.33	37235.56
16:0-18:0 PC (M+H)+	1395481.11	905846.93	643818.83	793042.54	824284.48	450212.86	651421.33	706639.33
16:0 LYSO PC (M+H)+	26569859.56	21739187.29	18556318.62	23421490.91	19631381.44	14397773.43	15877018.22	19574145.56
18:0 LYSO-PE (M+H)+	219980.83	248124.83	249657.07	381773.89	233619.42	188459.14	236732.33	-
1-METHYLADENOSINE (M+H)+	72005.33	56040.84	116312.66	67059.55	114045.56	67085.00	69744.89	66864.67
1-METHYLXANTHINE (M+H)+	3110127.50	3413191.70	3972433.88	3161481.97	3899021.90	3532170.00	3522574.11	-
1-METHYLXANTHINE (M+Na)+	92676.00	94579.63	81289.17	71819.00	86739.50	-	85456.00	-
20:0 LYSO PC (M+H)+	399948.00	308000.00	124211.75	269659.59	114757.86	78101.43	-	-
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]	23957.60	17698.36	13123.12	22572.85	14737.27	-	15696.33	17728.56
2-HYDROXY-3-METHYLBUTYRIC ACID (M+Na)+	92959.88	37392.24	98804.00	53221.38	81968.73	57278.43	61307.00	57601.78
3-(4-HYDROXYPHENYL)LACTIC ACID (M+H)+	-	17319.05	53492.82	21264.42	53759.90	18524.29	19350.67	-
3-(4-HYDROXYPHENYL)LACTIC ACID (M+Na)+	67948.83	43707.83	58940.47	48395.03	58403.50	47447.14	49392.00	-
3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+	-	25038.94	21185.22	27277.00	23665.33	22292.00	-	-
3-AMINOISOBUTYRIC ACID (M+H)+[-H2O]	8146.00	7290.00	32366.33	15264.14	28515.11	-	19364.22	-
3-DEHYDROXYCARNITINE (M+H)+	27782.50	20008.38	11029.17	16592.62	10147.00	-	14512.22	14418.44
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]	230700.44	233877.24	326251.62	282489.11	273026.52	288573.43	314839.11	275144.78
3-HYDROXYLAUROYLCARNITINE (*) (M+H)+	10315.00	10888.00	13088.30	12772.73	10208.14	8073.57	-	-
3-METHOXYTYROSINE (M+H)+	21203.86	18354.65	35700.93	20265.38	36382.48	22071.14	23384.22	21230.78
3-METHYLXANTHINE (M+H)+	29192631.33	31561002.49	36290363.06	29385697.16	35731325.81	32611036.86	32632995.56	-
4-PYRIDOXIC ACID (M+Na)+	1836.50	18922.72	26848.54	9514.93	31125.23	12338.57	12190.67	9458.44
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+	28714.67	42437.39	38570.77	33986.75	40218.74	32468.14	32261.00	-
5-AMINOPENTANOIC ACID (M+H)+	433965.78	459142.56	376421.21	341994.50	380392.85	425877.29	370228.22	316223.56
5^-METHYLTHIOADENOSINE (M+H)+	18819.00	73991.71	145879.07	68563.73	162503.00	100839.14	152990.78	153820.44
ACETAMINOPHEN (TN TYLENOL) (M+H)+	1283493.78	807321.88	3747972.40	984379.50	4464726.58	2515393.14	2426806.44	3300431.22
ACETAMINOPHEN (TN TYLENOL) (M+Na)+	1219423.33	396068.71	3561327.12	425490.61	4120542.10	2079712.29	2583896.33	3100988.33
ACETYLCARNITINE (M+H)+	1015049.86	1348065.31	3327869.07	1194819.07	3137255.78	896670.00	370621.11	913100.78
ADENOSINE 5^-MONOPHOSPHATE (M+H)+	4355.00	12242.52	20203.00	13003.56	15030.80	11921.43	10759.22	-
ADIPIC ACID (M+Na)+	33030.86	37814.45	94738.07	61855.00	75778.72	59998.57	56649.22	63439.78
AHBA (M+H)+	220569.67	169594.58	219491.07	238158.62	233648.67	193196.86	204935.89	208170.67
ALPHA-LINOLENIC ACID (M+Na)+	13214.17	8458.21	5613.76	12179.45	5182.24	8896.00	10709.22	9247.67
ALPHA-TOCOPHEROL (M+H)+	169385.67	128798.31	155302.52	115112.16	148166.11	190528.29	189201.11	166110.44
ASCORBIC ACID (M+H)+[-H2O]	79339.50	463415.51	766123.52	718059.30	797418.76	853586.71	834364.89	829439.33
BILIVERDIN (M+H)+	46965.33	82509.58	475486.72	59740.88	389686.44	127345.71	112341.11	160032.56
BILIVERDIN (M+Na)+	5704.67	9541.20	52096.28	7757.11	45296.42	14934.86	14224.78	16526.44
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+	13562030.22	508504.56	754403.66	590583.66	797022.78	456855.14	369877.56	484581.00
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+Na)+	2129729.67	2864890.55	3391002.45	2913632.59	3580456.37	2816531.00	2839111.67	3000687.11
BUTYRYLCARNITINE (*) (M+H)+	467849.33	790755.42	1013837.59	568487.32	808722.89	364387.00	299882.67	392113.44
CAFFEINE (M+H)+	3744589.22	4134402.87	4490547.24	5920369.77	5266788.11	6962592.00	5018388.22	5602357.11
CAFFEINE (M+Na)+	149509.67	161496.79	143702.79	238647.85	167472.41	267962.14	163978.44	182341.11
CALCIDIOL (M+H)+[-H2O]	10767.00	22231.69	13459.53	35684.54	19230.31	-	16372.78	18246.22
CARNITINE (M+H)+	4700365.22	556968.13	270684.65	271057.04	291203.22	254346.29	201143.78	159408.56
CHOLESTEROL (M+H)+[-H2O]	1323845.56	1095392.18	1387168.00	696223.79	1476020.26	1601683.43	1635481.00	1415696.00
CHOLINE M+	67116.89	86365.02	326777.17	120435.52	187426.78	396241.00	111246.67	130227.56
CITRIC ACID (M+Na)+	2022590.62	95927.28	71451.39	128269.39	73133.00	77709.00	111401.11	88732.44
CREATINE (M+H)+	422537.33	220467.92	131873.04	329279.10	152668.69	144948.43	145318.11	175904.89
CREATININE (M+H)+	2370.00	12879.71	43390.00	39746.50	25997.89	18187.43	-	-
DECANOIC ACID (2M+Na)+	80461.00	52224.38	21348.33	70663.97	11896.18	-	35659.56	67385.33
DECANOYLCARNITINE (*) (M+H)+	1072711.11	801173.56	520633.90	968452.12	472480.19	697162.00	626293.78	637532.67
DECENOYLCARNITINE (*) (M+H)+	700735.11	464341.47	397441.52	528967.14	379291.52	419882.29	338271.44	394290.00
DESMOSTEROL (M+H)+[-H2O]	11121.33	7281.78	24634.31	7842.02	28151.89	14787.71	13255.11	13523.11
DODECENOYLCARNITINE (*) II M+	78796.78	73935.17	97791.45	155932.36	81698.92	88099.71	71737.78	73675.56
DODECENOYLCARNITINE (*) M+	47208.67	39110.27	45333.38	72968.08	37523.32	39233.86	29797.89	37629.33
EDTA (M+H)+	2019727.67	197731.69	288802.28	209643.76	416564.73	-	252546.56	327928.89
EDTA (M+Na)+	2041616.78	622283.94	703712.21	665231.94	759884.30	1061714.71	899124.00	773306.89
EICOSANOYLCARNITINE (*) (M+H)+	58714.00	33564.63	14269.20	32766.56	19931.91	10570.00	11278.56	15045.33
ELAIDIC ACID (M+H)+	132978.00	59031.53	39913.62	100757.06	40784.00	45792.43	75001.11	54786.67
EPIBRASSINOLIDE [ISTD] (M+H)+	1405562.33	1407940.80	1302273.24	1485196.57	1326282.33	1201315.71	1251101.11	1325040.89
EPIBRASSINOLIDE [ISTD] (M+Na)+	1604457.00	1732580.49	1390142.66	1721053.30	1376743.30	1500560.00	1523991.56	1568440.22
GLUCOSE (M+Na)+	32531.56	14410.96	11229.54	21884.19	10555.91	9613.29	11577.56	9828.11
GLUTARYLCARNITINE (*) (M+H)+	357757.11	522974.20	420667.26	546553.66	436582.90	671990.43	517318.33	611234.44
GLYCEROL MYRISTATE (M+Na)+	9254.67	8791.70	6335.65	12222.30	5794.72	14358.57	11676.11	12941.67
GLYCOCHENODEOXYCHOLIC ACID (M+H)+	4136.67	6414.00	4778.00	7213.57	-	-	4700.33	-
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]	156270.11	136151.35	72491.86	79319.89	65673.27	122610.57	130801.22	97767.00
GLYCOCHENODEOXYCHOLIC ACID (M+Na)+	240871.11	199176.44	98497.72	106137.38	91413.15	155183.71	180563.89	126125.33
GLYCOCHOLIC ACID (M+H)+[-H2O]	16469.56	35982.63	-	16350.55	8593.33	20197.86	14243.44	14734.78
HEXANOYLCARNITINE (*) M+	275743.89	175042.40	560992.55	231063.16	531554.11	248766.00	238674.33	258834.67
HIPPURIC ACID (M+H)+	674731.11	695166.06	933507.14	831928.59	798907.93	877009.71	923674.44	807683.33
HIPPURIC ACID (M+Na)+	2371522.67	2017090.84	2742665.52	2695809.39	2334237.96	2368575.14	2274160.11	2180767.56
HOMOGENTISIC ACID (M+H)+	186431.89	254464.64	218494.79	526527.41	286760.13	436972.29	293430.56	270231.33
HOMOVANILLIC ACID (M+H)+	19383.60	39861.58	63832.44	54796.96	41963.41	64660.14	111486.00	93984.44
HYPOXANTHINE (M+H)+	264117.50	1364242.27	5251118.11	2877124.66	4699758.63	4470983.71	3054448.00	3653088.00
INOSINE (M+H)+	-	85146.75	239123.60	141960.87	334926.50	-	197353.00	-
INOSINE (M+Na)+	7589.11	47155.33	511347.79	275725.11	256526.50	687288.71	324650.22	266447.56
ISO-BUTYRYLCARNITINE (*) (M+H)+	733257.89	1151774.64	1222233.07	676915.29	996219.44	807870.14	738245.89	825993.78
ISOLEUCINE (M+H)+	48153095.56	56895352.98	41274722.48	41760851.80	45684564.81	46754194.29	32394374.89	35165887.56
ISOLEUCINE (M+Na)+	1253544.11	1082589.80	822210.00	1041238.39	809334.33	863328.71	972803.33	936127.78
ISOVALERYLCARNITINE (*) (M+H)+	808088.56	601773.40	1134009.72	439440.94	962751.37	692507.86	621034.56	726464.33
KYNURENINE (M+H)+	469967.33	558188.67	1612432.55	563728.20	1532149.22	856371.14	752311.56	865565.89
KYNURENINE (M+Na)+	59050.67	52260.40	96436.07	51210.86	98377.46	58831.29	60722.22	66354.33
LAUROYLCARNITINE (M+H)+	352968.22	221609.78	261984.24	373844.25	246846.85	228496.00	223392.22	238320.44
LEUKOTRIENE B4 (M+H)+	19795.22	19042.78	52474.58	21498.92	44936.14	27038.43	18457.22	22254.22
LINOLEOYLCARNITINE (*) (M+H)+	1162391.00	886585.53	1124496.93	1261033.84	1343956.93	581440.57	465536.11	774780.78
LL-2,6-DIAMINOHEPTANEDIOIC ACID (M+H)+[-H2O]	-	19909.08	35078.88	13346.48	37894.60	33713.00	-	27836.67
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+	3980891.56	3910911.93	3397469.03	4308472.25	3440457.26	3309382.14	3446754.89	3354377.44
LYSINE (M+H)+	6419.33	7249.72	18768.80	6308.00	14584.33	9945.29	-	-
METHIONINE (M+H)+	2273551.44	1741940.45	2274443.18	1846098.48	2341807.59	2156878.71	1996441.56	2040056.22
METHYL JASMONATE (M+H)+	13205.33	9311.85	13329.07	9557.76	20950.80	-	10953.89	8450.11
METHYL JASMONATE (M+Na)+	55207.89	69211.09	70911.58	74533.38	67147.45	58601.57	57878.00	77024.44
MYRISTOYLCARNITINE (*) (M+H)+	212709.22	157007.15	282512.59	468772.45	327489.74	137682.29	142557.00	184521.56
N-ACETYL-DL-METHIONINE (M+Na)+	23752.00	24916.60	119055.62	39522.80	148672.00	56818.57	-	57059.33
N-ACETYL-DL-SERINE (M+H)+[-H2O]	151060.75	100537.09	79761.79	119672.46	144061.91	107551.14	-	120060.78
N-ACETYL-L-LEUCINE (M+H)+	16756.50	7749.97	6367.08	7206.35	21357.00	7968.86	-	7557.56
N-CYCLOHEXYLFORMAMIDE (M+Na)+	28689.33	26501.33	18212.43	23621.47	21604.09	-	16457.67	-
NICOTINAMIDE (M+H)+	33265.33	53698.80	362474.54	68844.47	369072.58	256812.86	143308.33	153751.67
N-METHYL-GLUTAMIC ACID (M+Na)+	-	246359.10	171550.67	52373.80	230090.64	-	82727.78	-
OCTANOYLCARNITINE (*) (M+H)+	823566.00	489362.18	464425.14	565287.70	453687.96	429524.43	399737.22	412749.22
OCTENOYLCARNITINE (*) M+	1313291.56	634914.67	683722.79	732500.66	542718.74	502648.29	514014.56	506289.22
OLEIC ACID (M+H)+	8073.83	18811.45	17470.33	19202.72	17799.70	28558.43	21360.11	-
OLEIC ACID (M+Na)+	56978.50	135434.83	128220.75	142228.29	113279.69	-	149660.44	179274.89
OLEOYLCARNITINE (*) (M+H)+	1692910.00	1349406.24	1228475.21	2168112.20	1735116.26	579188.57	583504.78	1036805.67
OLEOYL-GLYCEROL (M+H)+	78310.89	15322.26	4866.75	35020.35	4617.11	8798.43	14029.33	10183.22
OLEOYL-GLYCEROL (M+Na)+	1061228.44	254964.38	62275.00	644821.00	63873.70	255450.29	286584.78	264126.89
ORNITHINE (M+H)+	6569.67	5905.65	10802.10	4075.78	9453.50	6978.29	-	-
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+H)+	21657.17	94576.38	61059.20	106254.20	29525.18	-	6466.56	25196.22
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+Na)+	272797.89	317463.73	314760.18	403008.67	340685.00	106244.00	121393.89	120548.44
PALMITOLEYLCARNITINE (*) M+	226915.44	165395.24	534436.03	411066.46	478372.48	198323.43	195802.33	235668.56
PALMITOYLCARNITINE (M+H)+	1432611.00	925511.22	1701161.45	1395826.48	2317549.85	505480.00	522791.33	952453.78
PANTOTHENIC ACID (M+H)+	156918.78	158567.51	674924.86	212910.96	622521.70	384040.71	228604.67	350527.67
PANTOTHENIC ACID (M+Na)+	278794.33	211563.25	1226774.34	305464.48	1211700.56	463228.57	428652.44	465876.11
PHENYLALANINE (M+H)+	134532.67	145855.00	194257.03	192787.27	153992.59	125483.29	171992.22	123496.67
PHENYLALANINE (M+Na)+	24239.33	29169.00	26340.45	29947.17	15466.00	-	-	21920.00
PIMELIC ACID (M+Na)+	5191.25	7916.65	12644.31	11481.15	10350.79	-	10046.56	5270.33
PIPECOLIC ACID (M+H)+	786696.11	1065157.27	820567.21	1122880.73	809933.96	1071546.43	1032856.78	1058992.11
PROLINE (M+H)+	742774.33	633181.28	419809.48	635596.94	406405.26	414720.86	476481.78	386059.22
PROPIONYLCARNITINE (*) (M+H)+	2442718.00	711012.85	1303220.52	447396.73	1076555.19	530419.14	546201.00	753098.33
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+	40321.50	24254.16	32209.93	25968.91	28208.39	13101.14	18516.67	-
SEROTONIN (M+Na)+	254271.00	43716.75	23973.00	60383.06	48316.17	-	-	38493.11
S-HEXYL-GLUTATHIONE (M+H)+	1254.00	-	29083.27	6389.00	29665.38	5799.29	-	6091.00
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+	-	1170112.18	87309.33	146375.94	99713.43	1866541.00	-	-
SPERMIDINE (M+H)+	19493.00	14433.80	264858.34	42086.71	229920.85	117134.00	54819.44	128044.11
SPERMINE (M+H)+	6073.33	17537.05	110724.55	61711.02	122593.88	73750.57	63541.78	58020.22
SPHINGANINE (M+H)+	423187.22	79806.89	119366.83	203416.55	223177.92	69090.57	58138.78	96091.33
SPHINGOSINE (M+H)+	697542.67	182412.85	415545.34	495409.73	592426.26	176005.71	156664.00	224348.67
STEAROYLCARNITINE (*) (M+H)+	583175.78	396987.35	354874.31	561655.62	597556.26	154125.71	153980.44	283726.33
TETRADECADIENOYLCARNITINE (*) M+	230018.33	134725.09	263743.93	308738.05	248209.11	206641.86	197786.11	227916.44
TETRADECENOYLCARNITINE (*) M+	433542.56	247661.67	231772.10	571304.34	217283.23	251558.57	247664.44	256326.44
THEOBROMINE (M+H)+	310108.78	739693.24	564595.38	960212.05	563825.00	966383.57	630300.11	722855.44
THEOBROMINE (M+Na)+	57370.75	200697.87	132852.00	320733.71	122592.86	102811.86	107840.56	110134.67
THEOPHYLLINE (M+H)+	298888.44	265435.78	317064.62	368811.00	501598.86	479178.57	358988.44	318746.22
THEOPHYLLINE (M+Na)+	184497.89	148845.38	149694.07	261900.64	193498.00	289273.29	237380.44	226976.78
TRANS-CYCLOHEXANE-1,2-DIOL (M+Na)+	295474.12	886801.06	580003.17	256858.70	666267.81	624219.43	393406.78	233808.67
TRYPTOPHAN (M+H)+	20830485.11	24668069.67	26483747.31	20199758.25	25501515.26	21235883.14	20711507.56	22362555.33
TRYPTOPHAN (M+Na)+	1651907.33	1879037.11	1631986.69	1530698.39	1558538.89	1528435.57	1569135.33	1596708.44
TYROSINE (M+H)+	5191127.67	5069817.71	4458737.21	4070481.04	4679323.74	4416140.29	3410135.22	4346971.22
TYROSINE (M+Na)+	463712.33	277139.96	131876.62	199894.19	145357.30	144351.00	153276.00	149619.22
URIC ACID (M+H)+	382996.00	264428.71	223042.54	347719.23	243058.81	272824.71	285375.78	263117.89
URIC ACID (M+Na)+	4455.67	11317.83	10112.50	15447.12	11141.30	-	12802.00	-
URIDINE (M+Na)+	78783.11	69902.82	54140.46	60963.13	54792.59	44711.43	44788.44	47650.67
VALINE (M+H)+	5378365.22	5094213.65	3616718.52	3824913.07	3694543.56	4091214.29	4508320.33	4062615.11
VALINE (M+Na)+	54973.60	48306.14	35602.67	35900.73	39109.46	36738.43	39476.00	-
ZEATIN [ISTD] (M+H)+	3493836.67	3877444.20	3818570.34	3881626.29	3893152.70	3994094.14	4081575.44	3925965.11

Factors:

F1	Gender:CHEAR_REFERENCE \| Timing of Sample Collection:CHEAR_REFERENCE \| Type of Family Member:CHEAR_REFERENCE
F2	Gender:Female \| Timing of Sample Collection:1st trimester \| Type of Family Member:mother
F3	Gender:Female \| Timing of Sample Collection:term (birth) \| Type of Family Member:child
F4	Gender:Female \| Timing of Sample Collection:term (birth) \| Type of Family Member:mother
F5	Gender:LIPIDOMICS_STD \| Timing of Sample Collection:LIPIDOMICS_STD \| Type of Family Member:LIPIDOMICS_STD
F6	Gender:Male \| Timing of Sample Collection:term (birth) \| Type of Family Member:child
F7	Gender:POOL_BATCH1 \| Timing of Sample Collection:POOL_BATCH1 \| Type of Family Member:POOL_BATCH1
F8	Gender:POOL_BATCH2 \| Timing of Sample Collection:POOL_BATCH2 \| Type of Family Member:POOL_BATCH2
F9	Gender:POOL_BATCH3 \| Timing of Sample Collection:POOL_BATCH3 \| Type of Family Member:POOL_BATCH3
F10	Gender:RED_CROSS_REFERENCE \| Timing of Sample Collection:RED_CROSS_REFERENCE \| Type of Family Member:RED_CROSS_REFERENCE