Data for ST000552   

(Analysis AN000844): Average values per metabolite and experimental factor (Units:Peak height)

Metabolite structureAll dataF1F2
1,2-Benzisothiazolin-3-one
36635.00 41735.00
2^,4^-DIHYDROXYACETOPHENONE
486090.00 2929045.00
2,4-Dinitrophenol (herbicide)
57840.00 135205.00
3-(2-HYDROXYPHENYL)PROPANOATE
4154000.00 4212000.00
3-(4-HYDROXYPHENYL)LACTATE
42840.00 96252.00
3-Aminosalicylic acid
48020.00 46530.00
3-HYDROXY-3-METHYLGLUTARATE
1289800.00 1308300.00
3-Hydroxydecanoic acid
1016100.00 1001850.00
3-METHOXY-4-HYDROXYMANDELATE
99410.00 71145.00
3-METHYL-2-OXOVALERIC ACID
12295500.00 16627000.00
3-methyladipic acid_R1
741950.00 872550.00
3-methyladipic acid_R2
132650.00 153050.00
3-SULFINO-L-ALANINE
1215400.00 966100.00
3-tert-Butyladipic acid
2588500.00 2921500.00
4-ACETAMIDOBUTANOATE
136270.00 183365.00
4-COUMARATE
47975.00 36090.00
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID
225570.00 1171013.33
4-HYDROXYBENZALDEHYDE
387750.00 296300.00
4-METHYL-2-OXO-PENTANOIC ACID
23116150.00 34072000.00
4-oxoproline
13420000.00 11874500.00
5-hydroxyindoleacetic acid
346045.00 326335.00
5-HYDROXY-L-TRYPTOPHAN
145980.00 129190.00
6-Hydroxycaproic acid
5789500.00 5467000.00
a-LINOLENIC ACID
97050.00 66255.00
ALLANTOIN
6194000.00 5913000.00
ALPHA-HYDROXYISOBUTYRIC ACID
61770000.00 61090000.00
ALPHA-KETOGLUTARIC ACID
3858490.00 1866110.00
ALPHA-KETOGLUTARIC ACID+2H
2148500.00 1676300.00
ANTHRANILATE
29880.00 40090.00
Arachidonic Acid (20:4)
2553950.00 1899250.00
ASCORBIC ACID
5036920.00 2754275.00
ASPARTATE
1610000.00 1739000.00
AZELAIC ACID
150990.00 190930.00
BOC-L-Tyrosine_R1
104040000.00 101435000.00
BOC-L-Tyrosine_R2
88545000.00 86515000.00
C6H12O6-HEXOSE/KETOSE/INOSITOL
37630000.00 38115000.00
Caffeic Acid
55580.00 54800.00
Catechol Sulfate_R1
837110.00 818605.00
Catechol Sulfate_R2
164150.00 135780.00
Chenodeoxycholic Acid (CDCA)_R1
206631.00 65314.21
Chenodeoxycholic Acid (CDCA)_R2
194742.11 66797.37
Chenodeoxycholic Acid (CDCA)_R3
17548.00 11645.50
Cholic Acid
119447.50 121614.12
CITRAMALATE
1578850.00 1743000.00
CITRATE
54459500.00 83067000.00
CITRIC ACID-13C6
826500.00 804400.00
CITRULLINE
5351000.00 4818500.00
CREATINE
3691400.00 3404650.00
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID
4131000.00 4148500.00
Dinoterb (herbicide)
1795000.00 1828500.00
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose
9263650.00 5589500.00
Docosahexaenoic Acid (22:6)
1051950.00 951700.00
D-SACCHARIC ACID
608650.00 759400.00
ETHYLMALONIC ACID
206300.00 277590.00
Ferulic acid sulfate
38447.50 30663.50
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
65974500.00 89471000.00
GLUCOSE/FRUCTOSE_R1
730950000.00 754750000.00
GLUCOSE/FRUCTOSE_R2
238600000.00 246200000.00
GLUTARATE
180205.00 236055.00
GLYCERIC ACID_R1
7881000.00 8079000.00
GLYCERIC ACID_R2
1871000.00 1958300.00
GLYCOCHOLATE_R1
147374.50 322910.00
GLYCOCHOLATE_R2
91059.50 59793.50
Glycocholic Acid (GCA)
3206800.00 3715790.00
Glycodeoxycholic acid (GDCA)
4741715.00 2326725.00
Glycoursodeoxycholic acid (G-UDCA)
1066599.00 839101.58
HYPOXANTHINE
2040485.00 1969285.00
INDOLE-3-ACETATE
128005.00 126135.00
Inosine
98065.00 99655.00
ISOCITRIC ACID
6944000.00 6596500.00
Kynurenic Acid
529890.00 352405.00
L-2-PHOSPHOGLYCERIC ACID
37505.56 28464.74
LACTATE
562250000.00 535350000.00
LACTATE-dimer
4130000.00 4506000.00
L-CARNITINE
870900.00 876500.00
L-CYSTEIC ACID
345965.00 292250.00
L-Cysteine-S-Sulfate
1160850.00 1290100.00
LEUCINE
26360.00 22441.00
L-GLUTAMIC ACID
10555000.00 8577500.00
L-GLUTAMINE
20184500.00 17814000.00
L-HISTIDINE
14010700.00 12568750.00
Linoleic Acid (18:2)
1467350.00 977700.00
L-ISOLEUCINE_R1
272050.00 242075.00
L-ISOLEUCINE_R2
134395.00 125750.00
L-KYNURENINE
807000.00 752900.00
L-METHIONINE
772650.00 812650.00
L-Phenylalanine-13C6
409150.00 423650.00
L-TYROSINE
4190000.00 3859000.00
L-Tyrosine-13C6
288600.00 290950.00
L-VALINE
993150.00 920400.00
LysoPC (18:1)
4726000.00 4544900.00
LysoPE (16:0)
1182850.00 1228600.00
LysoPE (18:0)
1550550.00 1333850.00
LysoPE (18:1)
534800.00 546850.00
LysoPE (20:4)
998550.00 1354450.00
LysoPE (22:6)
498100.00 901500.00
MALATE
17032000.00 12219000.00
Mannitol
10956950.00 3110050.00
Mono-(2-Ethylhexyl) Phthalate
9286000.00 3317500.00
Mono-(2-Ethylhexyl) Phthalate Dimer
29415000.00 27547500.00
Mono-(2-Ethylhexyl) Phthalate Trimer
406245.00 114145.00
Monobutyl phthalate
574200.00 529000.00
N-ACETYL-DL-GLUTAMIC ACID
89225.00 76215.00
N-ACETYL-DL-SERINE
3018550.00 1713500.00
N-ACETYLGLYCINE
6866500.00 9193000.00
N-ACETYL-L-ALANINE
2417500.00 2310500.00
N-ACETYL-L-LEUCINE
143925.00 131350.00
NALPHA-ACETYL-L-LYSINE
301750.00 340650.00
N-AMIDINO-L-ASPARTATE
80225.00 84050.00
N-BOC-L-Aspartic Acid_R1
79090000.00 81360000.00
N-BOC-L-Aspartic Acid_R2
11082500.00 11291000.00
N-BOC-L-tert-Leucine_R1
62285000.00 64355000.00
N-BOC-L-tert-Leucine_R2
37635000.00 38680000.00
N-BOC-L-Tryptophan_R1
84775000.00 80200000.00
N-BOC-L-Tryptophan_R2
70125000.00 65880000.00
N-FORMYLGLYCINE
292900.00 330800.00
N-METHYL-L-GLUTAMATE
230800.00 228350.00
Pimelic Acid
14854.74 53194.38
Plasmenyl-LysoPE (P-18:1)
46990.53 34838.33
Proline
411090.00 370520.00
Salicylic Acid-D4
8388500.00 8554500.00
SARCOSINE/BETA-ALANINE
1382700.00 1290500.00
SUCCINATE
13407500.00 13916500.00
SUCCINIC ACID-13C4
855150.00 870850.00
Sulfoacetaldehyde
443775.00 377800.00
TARTARIC ACID
807700.00 571950.00
TAURINE
7407500.00 6536500.00
Taurochenodesoxycholic acid (T-CDCA)
1250380.00 274945.00
Taurocholic acid (TCA)
1020995.00 474580.00
Tauroursodeoxycholic acid (T-UDCA)
75623.50 23348.75
THREONINE/HOMOSERINE
4555000.00 3794900.00
Tryptophan
24453000.00 22989000.00
Tryptophan-2,3,3-D3
9297000.00 8993500.00
URATE
116110000.00 112575000.00
URIDINE
692700.00 700200.00
Vanilloloside
16960.00 25179.50
Vanilloylglycine
330117.00 140670.00
XANTHINE
1050345.00 1195642.00
Xylenesulfonate
84710.00 99425.00

Factors:

F1VTE:no
F2VTE:yes
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