Data for ST000748   

(Analysis AN001173): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3F4F5F6
16:0 LYSO PC (M+H)+
122083.00 221552.00 117935.67 206434.33 124187.67 194288.33
16:0 LYSO PC (M+NA)+
33987.33 81540.00 33619.33 69937.00 35715.33 65939.33
1-METHYLXANTHINE (M+H)+
3717959.00 8731281.67 3571400.00 8800676.67 4018876.33 8564181.00
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
40771.33 41384.33 39103.00 37724.33 40302.67 38955.00
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]
- 466780.00 - 463877.00 - 444799.33
3-METHYLXANTHINE (M+H)+
34066666.67 76166666.67 33666666.67 76900000.00 37100000.00 75366666.67
4-ACETAMIDOBUTANOIC ACID (M+NA)+
83019.67 - 81096.67 - 88696.33 -
4-HYDROXY-L-PROLINE (M+H)+
- 36432.67 - 38014.33 - 35579.00
5-AMINOPENTANOIC ACID (M+H)+
6223498.33 6139145.00 5631942.33 5522191.67 6611149.00 5910861.50
5-HYDROXYINDOLEACETIC ACID (M+H)+
- 50563.00 - 57096.67 - 54461.33
5-HYDROXYINDOLEACETIC ACID (M+NA)+
- 29943.50 - 31204.67 - 29512.50
5^-METHYLTHIOADENOSINE (M+H)+
1308490.00 72291.00 1321821.67 76095.67 1539169.67 75044.00
5^-METHYLTHIOADENOSINE (M+NA)+
24060.00 - 22724.67 - 25376.00 -
5-OXOPROLINE (M+H)+
1756167.33 3687830.67 1553109.00 3787880.67 2070911.00 3935967.33
ACETYLCARNITINE (M+H)+
1175659.33 566573.67 1379186.33 572345.00 1568108.33 555776.33
ADENOSINE 5^-MONOPHOSPHATE (M+H)+
48026.00 1709857.67 138849.00 1578113.67 34948.00 1615571.33
ADENOSINE (M+H)+
- - 42084.00 - 12291.00 -
ALLANTOIN (M+NA)+
- 4935.33 - 4570.67 - 4821.00
ALPHA-LINOLENIC ACID (M+NA)+
- 12353.00 - 12187.50 - 13135.33
ASPARTIC ACID (M+NA)+
8670.00 - 9550.00 - 8460.00 -
AZELAIC ACID (M+H)+
5645.67 - 2528.50 - 3315.00 -
AZELAIC ACID (M+H)+[-H2O]
38706.33 20604.00 23471.00 22106.00 30175.67 21458.33
AZELAIC ACID (M+NA)+
97848.67 63942.67 57509.33 69786.00 75255.00 67079.00
BILIVERDIN (M+H)+
12156.67 - 11791.00 - 12978.67 -
BIOTIN (M+H)+
34065.67 25145.33 35568.00 25361.67 30660.33 23806.33
BIOTIN (M+NA)+
14464.00 - 16423.33 - 12997.33 -
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
220032.33 118578.67 188513.67 82362.00 69669.33 35137.33
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
1060886.00 715685.33 1019323.33 581828.67 469450.33 280371.33
BUTYRYLCARNITINE (*) (M+H)+
6572495.67 637512.33 7575637.33 680842.67 6214128.00 601826.67
CADAVERINE (M+H)+
3555.00 - 3883.50 - 2989.67 -
CHOLESTEROL (M+H)+[-H2O]
126800.00 - 160000.00 - 178333.33 -
CHOLINE M+
2091851.67 2796811.33 2247450.33 2813154.00 2186240.67 2766278.33
CHOLINE PHOSPHATE (M+NA)+
268977.67 - 295860.00 - 311276.33 -
CITRIC ACID (M+NA)+
25008.33 10581.00 23772.00 12375.33 23825.00 11175.50
CREATINE (M+H)+
1106954.33 - 1149046.67 - 1156620.67 -
CREATININE (M+H)+
124614.50 145092.67 190365.00 144250.67 161935.33 139828.67
CREATININE (M+NA)+
20962.33 23524.67 35153.50 26286.33 20477.33 22060.00
CYTIDINE (2M+H)+
11233.33 - 8726.67 - 8965.00 -
DETHIOBIOTIN (M+NA)+
28605.00 24293.33 28375.00 23564.67 26157.00 22989.00
D-GALACTOSAMINE (M+H)+[-H2O]
62333.67 - 88678.67 - 117785.00 -
D-GLUCOSAMINE (M+H)+
339844.67 - 359147.00 - 303822.00 -
ERYTHRITOL (M+NA)+
26610.00 15773.00 32588.50 18580.33 25429.00 17487.33
ETHANOLAMINE (M+NA)+
112989.00 - 92768.33 - 120472.67 -
FOLIC ACID (M+H)+
183982.67 974220.67 171411.33 935461.67 220482.00 859955.67
FOLIC ACID (M+NA)+
23369.33 56240.33 27025.67 79233.67 35185.67 49282.67
GAMMA-L-GLUTAMYL-L-CYSTEINE (M+H)+[-H2O]
7688.00 - 9197.00 - 7580.67 -
GAMMA-LINOLENIC ACID (M+NA)+
9978.33 - 9409.00 - 9251.33 -
GLUCOSE (2M+NA)+
38936.67 111004.00 35568.67 114691.33 46001.33 110453.00
GLUCOSE (M+NA)+
1564473.67 4243784.67 1442230.67 4449704.67 1826610.00 4398886.33
GLUTAMINE (M+NA)+
- 274649.67 - 274356.33 - 239629.33
GLUTARYLCARNITINE (*) (M+H)+
5894697.00 34066666.67 5247508.33 32933333.33 7114663.00 32133333.33
GLUTATHIONE OXIDIZED (M+H)+
689341.50 - 706088.00 - 715437.00 -
GLUTATHIONE OXIDIZED (M+H2)+2
2275574.50 8343.67 2299244.67 6666.00 2171292.00 6925.00
GLYCEROL MYRISTATE (M+H)+[-H2O]
4266.33 - 5336.00 - 3871.33 -
GLYCEROL MYRISTATE (M+NA)+
50366.67 54495.00 55635.67 64069.00 45896.00 66033.33
GLYCOCHENODEOXYCHOLIC ACID (M+H)+
- 21202.33 - 19274.33 - 17858.00
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+
- 26012.33 - 23920.50 - 26684.00
GLYCOCHOLIC ACID (M+H)+
- 41880.00 - 50196.33 - 41102.67
GLYCOCHOLIC ACID (M+H)+[-H2O]
4680.00 23657.33 4912.00 24211.67 6830.50 20428.00
GLYCOLITHOCHOLIC ACID (M+H)+[-H2O]
5209.50 - 3849.00 - 4807.50 -
GLYCOLITHOCHOLIC ACID (M+NA)+
- 7327.33 - 7213.50 - 6088.00
HEXANOYLCARNITINE (*) M+
24965.67 30537.00 29888.67 28508.33 25763.67 26360.00
HIPPURIC ACID (M+H)+
163951.67 1056267.33 162039.00 1080043.67 203896.67 1018319.00
HIPPURIC ACID (M+NA)+
- 1205051.33 - 1271377.33 - 1166293.33
HOMOSERINE (M+NA)+
13492.67 - 13614.33 - 15004.67 -
HYPOXANTHINE (M+H)+
467897.67 1720949.33 471460.00 1582579.67 602359.67 1616670.67
HYPOXANTHINE (M+NA)+
- 242016.33 - 230033.33 - 143192.33
INDOLE-3-ACETALDEHYDE (M+H)+
279283.50 - 322237.67 - 305354.00 -
INDOLE-3-ACETIC ACID (M+NA)+
- 6755.33 - 6883.50 - 7780.00
ISO-BUTYRYLCARNITINE (*) (M+H)+
6559948.33 1250057.00 7561440.00 1285585.00 6199870.33 1203018.67
ISOLEUCINE (M+H)+
73000000.00 123333333.33 71633333.33 123000000.00 76033333.33 121666666.67
ISOLEUCINE (M+NA)+
217003.67 742238.00 209406.00 760027.33 224649.67 704898.50
ISOVALERYLCARNITINE (*) (M+H)+
19200000.00 2130354.67 21433333.33 2490497.33 19533333.33 2214949.33
KYNURENIC ACID (M+H)+
17742.50 110100.33 17449.00 114533.33 22393.00 108517.33
KYNURENINE (M+H)+
49927.33 297563.67 51326.67 307269.67 62151.33 291860.67
L-ARGININE (M+H)+
627965.67 - 603466.00 - 649026.67 -
L-ARGININE (M+NA)+
- 57403.67 - 53654.67 - 60294.00
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
12133333.33 6080704.33 12533333.33 6430814.33 11866666.67 6184615.33
LUMICHROME (M+H)+
12863.00 39633.33 12466.67 37633.33 14933.33 33566.67
LUMICHROME (M+NA)+
20429.33 63373.33 19924.67 58252.67 22296.33 49921.33
LYSINE (M+H)+
110272.67 - 111436.67 - 108458.67 -
LYSINE (M+NA)+
22128.67 29900.67 23230.00 31739.00 22225.00 31717.67
MANNITOL (M+NA)+
- 200567.67 - 201103.00 - 185804.67
METHIONINE (M+H)+
4331064.00 10833333.33 3648631.67 11133333.33 4469557.00 11000000.00
METHYL BETA-D-GALACTOSIDE (M+NA)+
- 15598.00 - 16132.33 - 9411.50
N-ACETYL-ASPARTIC ACID (M+H)+
204967.00 8444.00 187638.00 7767.67 182124.67 5872.33
N-ACETYL-ASPARTIC ACID (M+NA)+
89612.33 - 69310.67 - 69984.00 -
N-ACETYL-DL-METHIONINE (M+NA)+
- 29919.50 - 33809.50 - 28929.50
N-ACETYL-DL-SERINE (M+H)+[-H2O]
1861719.67 - 1731794.00 - 2002380.33 -
N-ACETYL-D-TRYPTOPHAN (M+H)+
- 10951.67 - 11443.33 - 11405.33
N-ACETYL-D-TRYPTOPHAN (M+NA)+
- 6088.33 - 7169.67 - 6324.00
N-ACETYL-L-PHENYLALANINE (M+H)+
34577.67 - 27725.67 - 41009.00 -
N-ACETYL-L-PHENYLALANINE (M+NA)+
75428.33 206288.00 64784.67 265297.67 101601.67 221406.67
N-ACETYLNEURAMINIC ACID (M+H)+
264714.00 53989.67 274691.00 52736.67 282338.00 59897.50
N-ACETYLNEURAMINIC ACID (M+NA)+
99092.00 121947.00 99453.00 122616.67 109785.67 124390.67
NAD (M+2H)+2
160419.67 - 213074.67 - 183147.33 -
NAD (M+H)+
435529.33 - 538846.00 - 454393.33 -
NAD (M+NA)+
16938.67 - 19294.33 - 17593.33 -
N-CYCLOHEXYLFORMAMIDE (M+H)+
101873.00 65706.33 111430.33 64209.67 107188.67 65967.67
N-CYCLOHEXYLFORMAMIDE (M+NA)+
52876.00 24626.33 55755.67 26587.67 54243.67 27264.33
NICOTINAMIDE (M+H)+
1541881.33 4360859.67 1560709.67 4377639.67 1793663.33 4296977.00
OCTANOYLCARNITINE (*) (M+H)+
- 13864.00 - 14102.33 - 11720.00
OLEAMIDE (M+H)+
75369.67 90731.00 88940.33 102734.67 75655.67 94142.67
OLEAMIDE (M+NA)+
53018.33 72473.00 60119.33 84092.00 54444.00 76223.33
OLEOYL-GLYCEROL (M+H)+
6233.00 - 3884.00 - 2196.00 -
OLEOYL-GLYCEROL (M+NA)+
42643.33 41190.33 41891.00 39092.67 36946.00 37747.33
ORNITHINE (M+H)+
10531.67 15346.67 11129.33 15114.67 10892.67 14798.00
PANTOTHENIC ACID (M+H)+
13733085.50 3611367.33 20700000.00 3804799.67 17065425.33 4461911.00
PANTOTHENIC ACID (M+NA)+
9073393.00 - 9986260.33 - 10143396.00 -
PROGESTERONE (M+NA)+
49014.67 44051.67 58767.67 50643.67 64677.00 43890.33
PROLINE (M+H)+
3024011.67 2470580.00 2756618.00 2511671.00 3080249.67 2590050.33
PROLINE (M+NA)+
59378.67 148443.67 73701.33 153016.33 67359.33 150940.00
PROPIONYLCARNITINE (*) (M+H)+
1432542.33 - 1513012.00 - 1585751.00 -
PYRIDOXINE (M+H)+
2154144.33 8466716.00 2337516.33 8484740.00 2735346.00 8473508.33
RIBOFLAVIN (2M+NA)+
- 13254.00 - 15378.00 - 11890.00
RIBOFLAVIN (M+H)+
36274.33 396214.00 32754.00 421002.33 40326.33 397278.33
RIBOFLAVIN (M+NA)+
16614.67 255249.67 14662.33 270261.33 18059.67 250414.00
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
4568.00 - 9858.33 - 7900.33 -
S-ADENOSYLMETHIONINE (M+H)+
51149.50 - 59083.00 - 39376.33 -
SEBACIC ACID (M+NA)+
9848.33 - 6622.67 - 8967.33 -
SEROTONIN (M+H)+
181270.67 75028.00 233146.67 86598.33 214274.67 86168.00
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
219257.67 - 183758.33 - 137800.33 -
SPERMIDINE (M+H)+
313249.67 - 267343.67 - 333970.33 -
STACHYOSE (M+K)+
- 4492.00 - 3743.50 - 4259.33
SUBERIC ACID (M+NA)+
39087.33 38394.33 23861.00 32899.67 30605.00 36233.00
TAURINE (M+NA)+
11536.33 - 17837.33 - 12149.67 -
TAUROCHOLIC ACID (M+H)+[-H2O]
- 16110.50 - 15489.00 - 12964.00
TAUROCHOLIC ACID (M+NA)+
3210.00 19901.00 3508.50 18657.33 4657.67 17440.00
THEOBROMINE (M+NA)+
- 119569.33 - 120526.33 - 125737.00
THIAMIN M+
303031.67 510172.33 325870.67 521873.67 313160.33 496820.67
THIAMIN M+[-C6H9NOS]
18307.67 51023.33 29495.33 51047.67 23075.67 47393.67
THYMIDINE (M+NA)+
28158.67 68199.67 19266.50 71230.67 30731.50 68761.33
THYROXINE (M+H)+
10113.00 20029.33 9292.67 19721.33 9605.33 18264.00
TRYPTOPHAN (M+H)+
6834033.00 20666666.67 6865627.33 21600000.00 7739034.00 20500000.00
TRYPTOPHAN (M+NA)+
114262.00 338338.67 116299.00 350746.33 126789.00 330818.00
TYROSINE (M+H)+
11300000.00 15266666.67 10733333.33 15800000.00 12233333.33 15466666.67
TYROSINE (M+NA)+
- 659854.33 - 472640.33 - 609439.33
UDP-N-ACETYL-D-GALACTOSAMINE (M+NA)+
18260.33 - 14223.00 - 13440.33 -
VALINE (M+H)+
6134064.67 16200000.00 5726670.33 16666666.67 6968676.67 16600000.00
VALINE (M+NA)+
- 143761.00 - 140123.33 - 141194.67
XANTHINE (M+H)+
161839.50 379701.33 173648.00 373798.00 204275.33 381568.00
XANTHOSINE (M+H)+
- 40848.00 - 40619.00 - 41187.33
XANTHOSINE (M+NA)+
- 4566.00 - 7479.67 - 6591.67

Factors:

F1MEHP concentration:180 | Sample type:Cells
F2MEHP concentration:180 | Sample type:Culture Media
F3MEHP concentration:90 | Sample type:Cells
F4MEHP concentration:90 | Sample type:Culture Media
F5MEHP concentration:- | Sample type:Cells
F6MEHP concentration:- | Sample type:Culture Media
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