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Data for ST000725
(Analysis AN001137):
Average values per metabolite and experimental factor (Units:Peak area)
Metabolite structure
All data
F1
F2
16:0-18:0 PC (M+H)+
240589.75
218246.29
16:0 LYSO PC (M+H)+
18425000.00
16185714.29
16:0 LYSO PC (M+NA)+
4187758.25
3928465.57
18:0 LYSO-PE (M+H)+
132080.50
124490.86
18:0 LYSO-PE (M+NA)+
30209.50
31825.00
1-METHYLADENOSINE (M+H)+
11652.00
13823.86
1-METHYLXANTHINE (M+H)+
1946130.75
2009057.29
1-METHYLXANTHINE (M+NA)+
27054.25
29046.14
20:0 LYSO PC (M+H)+
93280.50
96114.43
24:0 SM (D18:1/24:0) (M+H)+
445649.25
379539.00
24:0 SM (D18:1/24:0) (M+NA)+
634697.25
494059.14
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
3596.00
6626.00
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+H)+
5169.33
5488.67
2-AMINOETHYL DIHYDROGEN PHOSPHATE (M+NA)+
-
6844.25
2-DEOXY-D-GLUCOSE (M+NA)+
17928.00
15778.00
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (M+H)+
48500.00
87048.00
3-AMINO-4-HYDROXYBENZOIC ACID (M+H)+
69714.75
76682.00
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]
9919.00
9672.17
3-HYDROXYANTHRANILIC ACID (M+H)+
1630.50
3497.00
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]
56005.50
71968.14
3-METHOXYTYROSINE (M+H)+
26541.75
27645.20
3-METHYLXANTHINE (M+H)+
18675000.00
19428571.43
4-HYDROXY-3-METHOXYPHENYLGLYCOL (M+H)+[-H2O]
43761.67
45112.50
4-PYRIDOXIC ACID (M+NA)+
5659.00
4338.50
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+
10022.00
14626.71
5-AMINOPENTANOIC ACID (M+H)+
2470853.50
2050484.43
5-HYDROXYTRYPTOPHAN (M+H)+
24334.50
35937.71
5^-METHYLTHIOADENOSINE (M+H)+
10562.50
11216.86
5-OXOPROLINE (M+H)+
211523.25
204286.29
ACETYLCARNITINE (M+H)+
491628.25
378287.86
ADENOSINE 5^-MONOPHOSPHATE (M+H)+
20691.00
21491.25
ADENOSINE (M+H)+
14462.25
20792.14
ADIPIC ACID (M+NA)+
14641.67
14492.50
ALANINE (M+H)+
21574.50
19333.80
ALLANTOIN (M+H)+
8261.50
6604.00
ALPHA-D-GALACTOSE 1-PHOSPHATE (M+NA)+
3170.00
-
ALPHA-TOCOPHEROL (M+H)+
62666.00
63630.43
ASPARAGINE (M+H)+
15304.50
18782.33
ASPARTIC ACID (M+NA)+
19604.00
-
AZELAIC ACID (M+H)+
1890.00
2703.00
AZELAIC ACID (M+H)+[-H2O]
16200.00
22221.57
AZELAIC ACID (M+NA)+
41883.50
60867.86
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+H)+
-
2148.00
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (M+NA)+
2133.00
1922.75
BILIVERDIN (M+H)+
104742.75
116745.14
BILIVERDIN (M+NA)+
8393.50
8637.43
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
90312.50
69778.43
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
1105162.75
959434.71
BUTYRYLCARNITINE (*) (M+H)+
99078.50
151560.00
CAFFEINE (M+H)+
27571.25
194797.25
CALCIDIOL (M+H)+[-H2O]
17154.25
19184.29
CALCIDIOL (M+NA)+
3387.00
13075.00
CARNITINE (M+H)+
273294.75
92151.43
CARNOSINE (M+NA)+
20213.50
22902.00
CHOLESTEROL HYDROGEN SULFATE M+[-HSO4]
23862.25
42420.00
CHOLESTEROL (M+H)+[-H2O]
757316.50
715892.29
CHOLINE PHOSPHATE (M+H)+
19396.75
23609.57
CITRIC ACID (M+NA)+
318969.75
286419.86
CORTICOSTERONE (M+H)+
7906.00
7805.00
CORTICOSTERONE (M+NA)+
8497.00
5859.29
CORTISOL (M+H)+
127445.00
120556.86
CORTISOL (M+NA)+
165406.50
158588.43
CORTISONE (M+H)+
37096.75
35477.00
CORTISONE (M+NA)+
33994.25
31717.29
CREATINE (M+H)+
93464.00
66164.75
CREATININE (M+H)+
11475.00
16086.33
CYSTATHIONINE (M+H)+
15720.00
16848.25
CYSTEIC ACID (M+H)+
11460.75
15022.14
CYSTINE (M+NA)+
2526.00
1360.00
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+K)+
4635.67
4772.14
CYTIDINE 5^-DIPHOSPHOCHOLINE (M+NA)+
7217.00
8359.20
CYTOSINE (M+NA)+
4584.00
4036.67
DECENOYLCARNITINE (*) (M+H)+
6782.00
128666.50
DEOXYCHOLIC ACID (2M+NA)+
17732.00
64048.00
DEOXYCHOLIC ACID (M+H)+[-H2O]
21033.00
16723.00
DEOXYCHOLIC ACID (M+NA)+
23078.00
27802.00
DESMOSTEROL (M+H)+[-H2O]
9119.67
7823.00
DIETHYLSTILBESTROL (M+NA)+
-
6453.50
DIPALMITOYL-GLYCEROL (M+NA)+
111145.50
160965.29
DODECENOYLCARNITINE (*) II M+
47716.00
107367.14
DUMP (M+H)+
8142.33
6278.67
EICOSADIENOYLCARNITINE (*) (M+H)+
8526.00
7920.86
EICOSANOYLCARNITINE (*) (M+H)+
7079.50
7866.71
EICOSENOYLCARNITINE (*) (M+H)+
17456.67
12901.00
ELAIDIC ACID (M+H)+
52637.00
55536.50
EPIBRASSINOLIDE [ISTD] (M+H)+
1964587.50
1928569.14
EPIBRASSINOLIDE [ISTD] (M+NA)+
1361555.50
1349308.29
ESTRONE (M+H)+
6294.50
7830.20
GAMMA-LINOLENIC ACID (M+NA)+
34052.00
36957.00
GENTISURIC ACID (M+H)+
3360.00
3022.20
GLUCOSAMINIC ACID (M+NA)+
8483.75
10471.43
GLUCOSE (M+NA)+
72154.67
68679.00
GLUTATHIONE OXIDIZED (M+H)+
1186.00
2044.00
GLUTATHIONE OXIDIZED (M+H2)+2
14726.25
15418.50
GLYCEROL MYRISTATE (M+H)+[-H2O]
2324.50
2975.60
GLYCOCHENODEOXYCHOLIC ACID (M+H)+
24860.50
30936.67
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]
368901.75
389144.14
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+
206908.75
217938.43
GLYCOCHOLIC ACID (M+H)+
58073.75
101217.29
GLYCOCHOLIC ACID (M+H)+[-H2O]
22958.25
38475.67
GLYCOCHOLIC ACID (M+NA)+
31466.75
54439.29
GUANINE (M+H)+
39397.25
22838.50
GUANOSINE (M+H)+
5498.00
3942.33
HEXANOYLCARNITINE (*) M+
115346.75
123131.43
HIPPURIC ACID (M+H)+
125994.50
160396.43
HIPPURIC ACID (M+NA)+
159501.00
202410.43
HISTAMINE (M+NA)+
2643.00
1441.00
HOMOGENTISIC ACID (M+H)+
57067.00
49123.80
HOMOSERINE (M+NA)+
1600.00
1541.50
HYODEOXYCHOLIC ACID (M+NA)+
-
10431.50
HYPOXANTHINE (M+H)+
302075.75
195660.57
HYPOXANTHINE (M+NA)+
116220.00
21269.00
INDOLE-3-ACETALDEHYDE (M+H)+
287396.50
452958.14
INDOLE-3-ACETIC ACID (M+H)+
186080.50
174217.29
INDOLE-3-ACETIC ACID (M+NA)+
46416.75
47163.43
INOSINE 5^-PHOSPHATE (M+H)+
10750.75
11647.57
ISO-BUTYRYLCARNITINE (*) (M+H)+
183594.00
308126.71
ISOLEUCINE (M+H)+
24750000.00
23228571.43
ISOLEUCINE (M+NA)+
273806.25
270552.14
ISOVALERYLCARNITINE (*) (M+H)+
196467.75
214573.71
KYNURENIC ACID (M+H)+
20256.25
29328.67
KYNURENINE (M+H)+
474787.25
631786.14
KYNURENINE (M+NA)+
13914.25
17902.86
L-ARGININE (M+H)+
7534.75
6949.00
L-ARGININE (M+NA)+
5999.67
5182.17
LAUROYLCARNITINE (M+H)+
36351.00
37341.29
L-HISTIDINE (M+H)+
3776.00
4005.25
L-HISTIDINOL (M+H)+
1493.00
1609.50
LITHOCHOLIC ACID (M+NA)+
9606.00
8680.00
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
5111028.25
4997482.86
LYSINE (M+H)+
41985.50
37517.29
LYSINE (M+NA)+
8719.00
7295.00
METHIONINE (M+H)+
2672694.50
2557322.86
METHYL BETA-D-GALACTOSIDE (M+NA)+
127046.50
123915.86
METHYL INDOLE-3-ACETATE (M+H)+
7934.00
12747.00
METHYL JASMONATE (M+NA)+
23556.25
28122.43
M-HYDROXYMANDELIC ACID (M+H)+[-H2O]
1661.00
1352.00
N-ACETYL-DL-METHIONINE (M+H)+
4471.00
1783.00
N-ACETYL-DL-SERINE (M+H)+[-H2O]
167249.25
158344.57
N-ACETYL-D-TRYPTOPHAN (M+H)+
1850.33
3784.00
N-ACETYLGLYCINE (M+NA)+
3160.33
5192.60
N-ACETYL-L-ALANINE (M+NA)+
3937.00
7408.33
N-ACETYL-L-LEUCINE (M+H)+
-
1363.00
N-ACETYL-L-PHENYLALANINE (M+NA)+
1090.00
2783.00
N-ACETYLNEURAMINIC ACID (M+H)+
4706.75
4785.00
N-ACETYLSEROTONIN (M+NA)+
1625.00
2098.00
NAD (M+H)+
4006.00
3615.00
N-CYCLOHEXYLFORMAMIDE (M+H)+
7259.50
6873.71
N-CYCLOHEXYLFORMAMIDE (M+NA)+
4520.33
4445.60
NICOTINAMIDE (M+H)+
73186.50
88664.43
NICOTINAMIDE MONONUCLEOTIDE (M+NA)+
-
1776.00
NONANOIC ACID (M+NA)+
3303.67
3966.40
OCTANOYLCARNITINE (*) (M+H)+
543465.75
538637.86
OCTENOYLCARNITINE (*) M+
212664.00
204774.14
OLEAMIDE (M+H)+
452610.75
438103.57
OLEAMIDE (M+NA)+
355972.33
354227.50
OLEIC ACID (M+H)+
19011.75
17597.50
OLEIC ACID (M+NA)+
139707.25
133883.83
OLEOYLCARNITINE (*) (M+H)+
483050.75
433575.14
OLEOYL-GLYCEROL (M+NA)+
84470.00
85626.57
ORNITHINE (M+H)+
13156.75
11095.57
PANTOTHENIC ACID (M+H)+
32598.25
38193.14
PANTOTHENIC ACID (M+NA)+
19309.67
21179.00
PHENYLALANINE (M+H)+
276972.50
341380.43
PHENYLALANINE (M+NA)+
2754.67
2104.67
PIMELIC ACID (M+NA)+
3841.00
5771.00
PIPECOLIC ACID (M+H)+
298033.00
347024.43
PROCOLLAGEN 5-HYDROXY-L-LYSINE (M+H)+
13582.67
12902.33
PROGESTERONE (M+NA)+
3445.00
-
PROLINE (M+H)+
177095.00
237607.60
PROPIONYLCARNITINE (*) (M+H)+
205673.50
160680.57
PROSTAGLANDIN E2 (M+H)+
24892.50
27622.83
RIBOFLAVIN (M+H)+
3436.00
4681.80
SEBACIC ACID (M+NA)+
6137.50
15405.33
SELENOMETHIONINE (M+H)+
4468.00
6382.60
SEROTONIN (M+H)+
246973.00
415174.33
SEROTONIN (M+NA)+
6973.00
8390.60
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
42112.67
60272.71
SPERMIDINE (M+H)+
25930.50
23204.00
SPERMINE (M+H)+
10885.00
12024.00
SPHINGANINE (M+H)+
-
2318.00
STEAROYLCARNITINE (*) (M+H)+
114281.75
103050.71
SUBERIC ACID (M+H)+[-H2O]
5883.00
8236.00
SUBERIC ACID (M+NA)+
13345.75
18856.57
TAUROCHENODEOXYCHOLIC ACID (M+NA)+
12305.00
17100.00
TAUROLITHOCHOLIC ACID (M+H)+[-H2O]
3781.00
3718.33
TETRADECENOYLCARNITINE (*) M+
36031.50
31508.71
THEOBROMINE (M+H)+
240340.00
318427.57
THEOPHYLLINE (M+H)+
4385.00
59457.00
THEOPHYLLINE (M+NA)+
4391.67
39935.00
THREONINE (M+H)+[-H2O]
52241.00
45897.00
THYROXINE (M+H)+
72678.00
61426.14
TRANS-4-HYDROXYPROLINE (M+H)+
93161.50
105171.67
TRYPTOPHAN (M+H)+
14100000.00
15300000.00
TRYPTOPHAN (M+NA)+
549318.00
579391.57
TYROSINE (M+H)+
6356338.00
6111550.29
TYROSINE (M+NA)+
166952.75
187158.71
URIC ACID (M+H)+
1802060.00
1678019.00
URIC ACID (M+NA)+
62652.50
63101.86
URIDINE (M+H)+
22380.50
23132.29
URIDINE (M+NA)+
38987.00
36391.14
UROCANIC ACID (M+H)+
11308.67
9124.33
URSODIOL (M+NA)+
115804.00
174319.20
VALINE (M+H)+
4198253.50
4068271.29
VALINE (M+NA)+
6115.67
8367.00
XANTHURENIC ACID (M+H)+
-
5155.80
ZEATIN [ISTD] (M+H)+
839710.00
852172.86
Factors:
F1
gender:Female
F2
gender:Male
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