Data for ST000748
Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 |
---|---|---|---|---|---|---|---|
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:
F1 | MEHP concentration:180 | Sample type:Cells |
F2 | MEHP concentration:180 | Sample type:Culture Media |
F3 | MEHP concentration:90 | Sample type:Cells |
F4 | MEHP concentration:90 | Sample type:Culture Media |
F5 | MEHP concentration:- | Sample type:Cells |
F6 | MEHP concentration:- | Sample type:Culture Media |