Data for ST000552   

(Analysis AN000843): Average values per metabolite and experimental factor (Units:Peak height)

Metabolite structureAll dataF1F2
1,2-Benzisothiazolin-3-one
104285.00 113920.00
1,3-Benzodioxolyl-N-methylbutanamine (MBDB)
111880.00 119055.00
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1772000.00 1669600.00
1-METHYLADENOSINE
110286.36 324981.25
2-AMINOPHENOL
80365.00 104100.00
2-Hydroxyphenylalanine
134785000.00 123305000.00
2-Phenylglycine
80225.00 97815.00
3-(2-HYDROXYPHENYL)PROPANOATE
146840.00 341920.00
3,4-Dimethylbenzoic acid
310850.00 317650.00
3,5-Di-tert-butylbenzaldehyde
440600.00 442550.00
3-AMINOISOBUTANOATE
985150.00 1080700.00
3-HYDROXY-3-METHYLGLUTARATE
45500.00 50375.00
3-HYDROXYANTHRANILIC ACID
31434.50 32620.00
3-(Hydroxyphenyl) Propionic Acid
74595.00 34235.00
3-METHOXYTYRAMINE
43240.00 49015.00
3-UREIDOPROPIONATE
383450.00 545650.00
4-AMINOBUTANOATE (GABA)
46410000.00 28844500.00
4-GUANIDINOBUTANOATE
549350.00 709100.00
4-HYDROXY-L-PHENYLGLYCINE
323400.00 296200.00
4-IMIDAZOLEACETIC ACID
523750.00 618550.00
5,6-DIHYDROURACIL
615100.00 599000.00
5-AMINOLEVULINIC ACID_R1
4136500.00 5701500.00
5-AMINOLEVULINIC ACID_R2
1961350.00 1383650.00
5-AMINOLEVULINIC ACID_R3
1460850.00 1128300.00
5-hydroxyindoleacetic acid
1430700.00 1342950.00
5-HYDROXY-L-TRYPTOPHAN
338450.00 309165.00
5-Hydroxymethyl-2-furaldehyde
6334000.00 6584000.00
5-Hydroxy-N-formylkynurenine
815050.00 1961150.00
5-METHYLCYTOSINE HYDROCLORIDE
532100.00 481050.00
6C-SUGAR ALCOHOL
62767500.00 21578000.00
6-DEOXY-HEXOSE
14649000.00 14115500.00
6-Quinolincarboxylic Acid
152275.00 189755.00
Acetaminophen/Paracetamol_R1
2143735.00 2227705.00
Acetaminophen/Paracetamol_R2
9535895.00 19475695.00
Acyl-Carnitine(5-OH)
575950.00 508550.00
ADENINE
134450.00 134645.00
ALANINE/SARCOSINE
19130000.00 19335500.00
ALDO/KETO-HEXOSE
335815000.00 383950000.00
ALLANTOIN
4589500.00 4546000.00
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
1182300.00 956400.00
Anthranilate
464950.00 477290.00
ASPARTATE_R1
1236250.00 1214100.00
ASPARTATE_R2
773100.00 869300.00
BETAINE
229750000.00 184110000.00
Bis(2-ethylhexyl) phthalate
3374500.00 3780500.00
BOC-D-Phenylalanine
91195000.00 88770000.00
BOC-L-Tyrosine
106635000.00 104395000.00
BUTYROBETAINE
66190000.00 58165000.00
Caffeine-D3
27430000.00 27345000.00
Camphor
143250.00 146950.00
Chenodeoxycholyglycine (GCDCA)_R1
1568660.00 900054.00
Chenodeoxycholyglycine (GCDCA)_R2
775625.50 470697.89
Chenodeoxycholyglycine (GCDCA)_R3
1207310.00 513316.00
Choline
115125000.00 108885000.00
CITRAMALATE
24879.00 24007.00
CITRATE_R1
8557950.00 13094450.00
CITRATE_R2
1811270.00 2702980.00
CITRULLINE
12671500.00 11345500.00
CREATINE
350650000.00 287400000.00
Creatine-D3
15370000.00 15735000.00
CREATININE
596200000.00 591850000.00
Decanoylcarnitine
1519300.00 1615500.00
D-(+)-GALACTOSAMINE
224125.00 156056.25
D-GLUCOSAMINE 6-PHOSPHATE
188545.00 199865.00
Dibutyl phthalate
3977000.00 3946000.00
DIHYDROXYACETONE PHOSPHATE
180175.00 165150.00
Diphenylamine
116800.00 120140.00
Dipropylene glycol
3234000.00 4950000.00
Dipropyleneglycol dibenzoate
206400.00 203950.00
Dipropyl phthalate
195000.00 192800.00
DL-5-HYDROXYLYSINE
124972.50 89799.33
D-Ribose
405150.00 479150.00
Formylkynurenine
1477750.00 2559500.00
Galaxolidone
166800.00 169750.00
Gallic Acid
60050.00 87630.00
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
2915273.68 4117580.00
GLUCOSAMINE/MANNOSAMINE_R1
2049500.00 2122000.00
GLUCOSAMINE/MANNOSAMINE_R2
314700.00 365050.00
GLUTARATE
28000.00 37405.00
GLYCEROL
1921550.00 2118000.00
Glycerophosphocholine
38915000.00 38395000.00
GLYCOCHOLATE
160250.00 336395.71
Glycocholic Acid (GCA)_R1
1334845.00 1649105.00
Glycocholic Acid (GCA)_R2
410560.00 182448.75
Glycocholic Acid (GCA)_R3
237369.47 317515.79
Glycocholic Acid (GCA)_R4
182940.71 234442.86
Glycocholic Acid (GCA)_R5
130442.67 209899.17
Glycocholic Acid (GCA)_R6
43165.71 55111.43
Glycodeoxycholic acid (GDCA)
324396.67 135517.14
Glycoursodeoxycholic acid (G-UDCA)_R1
128010.00 365315.00
Glycoursodeoxycholic acid (G-UDCA)_R2
181788.89 334627.37
Glycoursodeoxycholic acid (G-UDCA)_R3
243964.21 250255.88
Glycoursodeoxycholic acid (G-UDCA)_R4
253501.58 227556.11
Glycoursodeoxycholic acid (G-UDCA)_R5
179077.65 143799.33
HEXOSE-DISACCHARIDE
1566950.00 2215600.00
Hippuric Acid
12706350.00 17320000.00
Hydroxyhippuric acid
538540.00 782305.00
Hypoxanthine
166061.00 255496.50
HYPOXANTHINE
12843685.00 12707710.00
INDOLE-3-ACETATE
43997.00 23203.00
Iohexol
15769211.67 24442987.65
Isobutyrylcarnitine
4784500.00 4753300.00
Isovalerylcarnitine
4321500.00 1869200.00
Kynurenic Acid
788550.00 496135.00
L-Acetylcarnitine
47155000.00 36440000.00
L-ARGININE
27437350.00 27070000.00
L-ASPARAGINE
1295250.00 1242350.00
L-CARNITINE
434750000.00 395700000.00
L-Carnitine (trimethyl-D9)
20755500.00 29486000.00
L-CYSTEIC ACID
212910.00 209765.00
Levofloxacin
27535.00 8257930.00
L-GLUTAMINE
170795000.00 173000000.00
L-HISTIDINE
51005000.00 51195000.00
Lidocaine
10228250.00 18399402.50
L-Isoleucine
236030000.00 209370000.00
L-KYNURENINE
13906000.00 13127500.00
LL-2,6-DIAMINOHEPTANEDIOATE
450350.00 492350.00
L-(+)-Lactic Acid
229400.00 184975.00
L-LEUCINE
500350000.00 460150000.00
L-Leucine 13C6
31765000.00 33155000.00
L-Leucine-D10
21635000.00 21680000.00
L-LYSINE
2574500.00 2292600.00
L-METHIONINE_R1
31856500.00 33583000.00
L-METHIONINE_R2
821700.00 937100.00
L-Phenylalanine
516950000.00 498650000.00
L-Phenylalanine 13C6
37735000.00 38390000.00
L-PROLINE
658150000.00 602650000.00
L-SERINE
999280.00 963200.00
L-Tryptophan
322050000.00 302590000.00
L-Tryptophan-NH3
87365000.00 81770000.00
L-Tyrosine 13C6
10178500.00 10218500.00
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
849900000.00 795350000.00
LysoPC (16:0)_R1
51595000.00 49770000.00
LysoPC (16:0)_R2
5441000.00 5473500.00
LysoPC (16:0)_R3
3426000.00 3158500.00
LysoPC (16:0)_R4
981100.00 954350.00
LysoPC (16:1)_R1
1027900.00 1305500.00
LysoPC (16:1)_R2
313350.00 326225.00
LysoPC (18:0)_R1
11627000.00 10611000.00
LysoPC (18:0)_R2
1112600.00 1535650.00
LysoPC (18:2)_R1
5622000.00 5241000.00
LysoPC (18:2)_R2
1798900.00 2594500.00
LysoPC (20:4)
366190.00 413375.00
LysoPE (18:0)
1388450.00 1248550.00
LysoPE (18:1)
456800.00 494680.00
LysoPE (20:4)_R1
641550.00 948900.00
LysoPE (20:4)_R2
375000.00 552450.00
LysoPE (22:6)
361650.00 696650.00
Methionine Sulfoxide
15581000.00 13983500.00
METHYL INDOLE-3-ACETATE
620157.89 1065489.47
METHYL JASMONATE
96095.00 96415.00
Monobutyl phthalate
952800.00 951300.00
MONO-METHYL GLUTARATE
3843185.00 5530790.00
N1-Methyl-2-pyridone-5-carboxamide
478695.00 571385.00
N1-Methyl-4-pyridone-5-carboxamide
1835950.00 2922400.00
N-Acetyl-Arginine
123520.00 98395.00
N-ACETYL-DL-GLUTAMIC ACID
51925.00 42970.00
N-ACETYL-DL-SERINE_R1
1720550.00 1652450.00
N-ACETYL-DL-SERINE_R2
252970.00 192510.00
N-ACETYLGLYCINE
1537750.00 1963100.00
N-ACETYL-HEXOSAMINE
836200.00 939300.00
N-ACETYL-L-ALANINE
1219800.00 1142350.00
N-ACETYL-L-ASPARTIC ACID
138810.00 119505.00
N-ACETYL-L-LEUCINE
127275.00 124045.00
N-ACETYLPUTRESCINE
4971500.00 5717000.00
N-ALPHA-ACETYL-L-LYSINE
1552500.00 1535550.00
N-BOC-L-Aspartic Acid
22910000.00 23180000.00
N-BOC-L-tert-Leucine
13485000.00 13715000.00
N-BOC-L-Tryptophan_R1
66950000.00 62395000.00
N-BOC-L-Tryptophan_R2
5948000.00 5448000.00
NICOTINAMIDE
1450850.00 1352700.00
N-METHYL-D-ASPARTIC ACID
14723500.00 12750000.00
N-Methylnicotinamide
2608050.00 1958550.00
N(PAI)-METHYL-L-HISTIDINE
101715000.00 101240000.00
O-Acetyl-Lcarnitine:HCl (N-methyl-D3)
2544350.00 3799550.00
O-Butyryl-L-carnitine:HCl
3515000.00 4618500.00
Octanoylcarnitine
2621500.00 2720000.00
O-Isovaleryl-L-carnitine (N,N,N-trimethyl-D9)
3954000.00 5357000.00
O-Myristol-L-carnitine:HCl(N,N,N-trimethyl-D9)
875150.00 1072550.00
O-Octanoyl-L-carnitine:HCl(N-methyl-D3)
3626000.00 5116500.00
O-Propionyl_L-carnitine:HCl
2867000.00 4022000.00
ORNITHINE
882050.00 935450.00
Palmitoleic acid
140600.00 145150.00
Pantothenic Acid
1748500.00 1856650.00
PEG n5
3993000.00 18405550.00
PHENETHYLAMINE
3630000.00 3639000.00
Phenylalanine-HCOOH
78685000.00 75965000.00
PHOSPHOCHOLINE
283405.00 225195.00
PIPECOLATE/L-PIPECOLIC ACID
29935000.00 31657000.00
Proprionylcarnitine
9115500.00 8200000.00
PYRIDINE-2,3-DICARBOXYLATE
366000.00 359450.00
PYRIDOXAL
59475.00 71905.00
PYRIDOXINE
15771.00 12373.50
Pyroglutamic Acid
41265000.00 37315000.00
QUINATE
178530.00 135500.00
(R)-MALATE
310690.00 191650.00
SEROTONIN
837270.00 1211846.84
SEROTONIN-NH3
900601.50 1241762.50
SPERMIDINE
1009450.00 1066110.00
SPERMINE
447750.00 422625.00
Sphingosine (d18:1)
545415.00 509685.00
Stachydrine_R1
65227500.00 70227500.00
Stachydrine_R2
37778500.00 42324500.00
SUCCINATE
301510.00 311550.00
Sulcatol
362250.00 417000.00
Syringic Acid
28492.50 171572.22
TAURINE
4041000.00 3788000.00
Taurocholic acid_R1
137083.33 53988.00
Taurocholic acid_R2
68692.00 24511.67
Taurocholic acid (TCA)_R1
142764.29 57087.14
Taurocholic acid (TCA)_R2
86455.00 27551.67
Taurocholic acid (TCA)_R3
87920.91 37560.91
Taurocholic acid (TCA)_R4
33871.25 22808.33
Taurodeoxycholic Acid (T-DCA)_R1
163672.00 106448.42
Taurodeoxycholic Acid (T-DCA)_R2
137243.00 39752.11
Taurodeoxycholic Acid (T-DCA)_R3
87422.50 25737.14
Taurodeoxycholic Acid (T-DCA)_R4
185617.50 31212.00
Taurodeoxycholic Acid (T-DCA)_R5
62796.67 17494.00
Taurodeoxycholic Acid (T-DCA)_R6
61525.00 16902.73
Taurodeoxycholic Acid (T-DCA)_R7
54663.33 16985.00
Tetrahydrothiophene-1-oxide
274500.00 282250.00
THIAMINE
40275.00 513096.67
THREONINE/HOMOSERINE_R1
22510000.00 20900000.00
THREONINE/HOMOSERINE_R2
9993100.00 3492800.00
THYMINE
95975.00 88330.00
TRANS-CINNAMATE
973650.00 912850.00
Triethyl phosphate
1025100.00 1043800.00
Trigonelline
8594150.00 7694000.00
Tryptophan-2,3,3-D3
129200000.00 127950000.00
Tryptophan-2,3,3-D3-NH3
31920000.00 31565000.00
URACIL
231000.00 214800.00
URATE
138235000.00 140245000.00
URIDINE
199200.00 205800.00
UROCANATE
937500.00 632600.00
Valerylcarnitine
1714500.00 1035700.00

Factors:

F1VTE:no
F2VTE:yes
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