Data for ST000046   

(Analysis AN000077): Average values per metabolite and experimental factor (Units:Raw MS Intensities)

Metabolite structureAll dataF1F2F3
10,12,15-octadecatrienoicacid
307154.67 331116.31 230491.60
(10E)-19-fluorovitaminD3/(10E)-19-fluorocholecalciferol
9278.67 7830.82 6406.58
10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid
5654.76 10832.23 15491.31
10-hydroxy-2E,8E-Decadiene-4,6-diynoicacid+1.2059581
15740.73 19672.05 28844.65
1-(11E-octadecenoyl)-rac-glycerol
30415.66 39440.09 33442.66
11-deoxy-PGE2
7159.17 6220.08 6682.12
12-amino-dodecanoicacid
22538.97 41584.97 29465.30
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid
6509.06 6612.44 6074.16
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.0063637
455472.60 347095.63 395315.30
12beta-Hydroxy-3-oxo-5beta-cholan-24-oicAcid+1.175578
40968.92 49495.35 16845.48
1,2-di-(9Z-hexadecenoyl)-3-(9Z,12Z-heptadecadienoyl)-sn-glyc...
51843.67 66238.44 65071.35
1,2-Didecanoyl-glycerol(10:0)
6667.12 7505.56 6350.00
12-Ketodeoxycholicacid
21130.05 18023.65 16445.79
12-oxo-9-octadecynoicacid
77769.60 149158.22 97410.07
1-(2-Pyrimidyl)piperazine
5703.50 7588.14 6078.33
1-(2-Pyrimidyl)piperazine+5.2760143
7065.94 6865.24 6389.50
12Z,15Z-octadecadienoicacid
340463.73 393545.09 362234.77
1,3-DIPROPYL-8-CYCLOPENTYLXANTHINE[DPCPX]
12010.17 5201.26 10466.22
13S-hydroxy-9E,11Z-octadecadienoicacid
285134.35 352390.12 291698.65
(+/-)14,15-EpETrE
9449.45 8524.06 8406.92
14-hydroxy-12-tetradecenoicacid
30797.33 25895.21 13706.79
14-methyl-1-hexadecanol
6719.23 6458.26 5937.62
1,4-Methylimidazoleaceticacid
11986.57 11508.15 6748.95
16-hydroperoxy-9Z,12,14E-octadecatrienoicacid
12890.55 11076.17 13321.27
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-...
16233.42 18340.00 14919.81
1-(9Z,12Z-heptadecadienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapenta...
6672.38 5957.21 6370.44
1-(9Z,12Z-octadecadienoyl)-rac-glycerol
56122.13 64282.78 60382.10
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycerol
352570.10 367135.81 315767.97
1alpha,18-dihydroxyvitaminD_3/1alpha,18-dihydroxycholecalcif...
14682.16 10516.37 6433.13
1alpha,25-dihydroxy-11beta-phenylvitaminD3/1alpha,25-dihydro...
6128.38 5127.43 7221.07
1alpha,25-dihydroxy-22-oxavitaminD33-hemiglutarate/1alpha,25...
26395.73 18824.61 25301.93
1alpha,25-dihydroxy-24-oxovitaminD_3/1alpha,25-dihydroxy-24-...
33573.67 30458.34 38035.60
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitaminD3/1alpha...
121145.65 103991.52 85496.36
1alpha,25-dihydroxy-3-deoxy-3-thiavitaminD3/1alpha,25-dihydr...
4137.73 4103.75 5598.76
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23...
6309.88 6200.25 8335.20
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitaminD3/1beta,2...
87653.62 95117.61 49824.15
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn...
681561.12 768625.63 683223.24
1-heptadecanoyl,2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycer...
28002.83 31429.10 30876.23
1-hexadecanoyl-sn-glycerol
232064.40 272625.91 250164.60
1-Hexadecyl-2-arachidonoyl-glycerol
4533.38 4603.38 4751.44
1-Hexadecylamine
12367.71 12213.54 11123.71
1-Hexadecylamine+3.6542141
4925.67 6908.47 5805.80
1-HydroxyvitaminD33-D-glucopyranoside
18839.70 11558.32 18039.40
1-Methyladenosine
47816.33 41335.42 41549.83
1-Methylguanine
84826.90 72062.19 75705.13
1-Methylguanosine
7652.37 8490.33 9554.85
1-Methylinosine
28577.00 22805.53 23176.43
1-Methylpiperazine
4469.70 4292.20 5296.42
1-Methyluricacid
33056.56 26488.47 33227.68
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoy...
26303.21 39819.47 39840.07
1-octadecanoyl-rac-glycerol
403822.10 618656.69 443875.83
1-Phenyl-2-(diethylamino)-1-propanol
4571.17 6055.06 4191.30
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoicacid
11526.00 8472.25 5736.08
20-oxo-heneicosanoicacid
17802.68 21945.38 16768.21
(20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvi...
17673.60 15790.00 11872.14
(22E,24E)-1alpha,25-dihydroxy-26,27-diethyl-22,23,24,24a-tet...
24067.06 33302.39 38050.17
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehy...
5344.10 3594.54 3434.69
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehy...
6494.44 7090.41 13084.67
(23R)-1alpha,23,25-trihydroxy-24-oxovitaminD3/(23R)-1alpha,2...
14197.38 6770.26 13824.00
(23R,25R)-1alpha,25-dihydroxyvitaminD326,23-lactone/(23R,25R...
17511.64 9848.76 15005.70
2,4-octadienal
4067.62 4147.33 3398.40
(24S)-1alpha,24-dihydroxy-22-oxa-20-epivitaminD3/(24S)-1alph...
11146.58 14698.70 266608.50
(24S)-1alpha,24-dihydroxy-22-oxavitaminD3/(24S)-1alpha,24-di...
6110.35 5719.17 5208.88
2,5-decadienoicacid
9171.59 8614.67 7541.57
25-hydroxy-26,27-dimethylvitaminD3/25-hydroxy-26,27-dimethyl...
29391.40 42722.77 33663.53
25-Hydroxy[26,27-methyl]vitaminD33beta-(1,2-epoxypropyl)ethe...
18812.74 20091.26 17863.05
2-Amino-2-methyl-1-propanol
10056.90 9714.35 9210.60
2-Amino-2-methyl-1-propanol+4.6926875
28197.25 33510.82 31285.77
2-Amino-2-methyl-1-propanol+5.1998544
41568.16 46758.63 36147.96
2-Amino-2-methyl-1-propanol+5.3564744
26397.61 34691.48 28713.08
2-Amino-2-methyl-1-propanol+5.645574
9366.55 11005.80 9113.86
2-Amino-3-methyl-1-butanol
4442754.93 4381482.94 4601617.40
2-Amino-3-methyl-1-butanol+6.472044
20060.90 20417.03 17697.93
2-Aminopropanol
5055.62 5654.77 4286.00
2-Aminopropanol+6.3286147
1270591.87 1216577.58 1341596.67
2-decylenicacid
16145.20 14290.94 14003.37
2-docosanamidoethanesulfonicacid
8333.17 9105.06 9338.11
2-Ethylisonicotinicacid
22327.29 21517.32 20587.00
2-Hydroxyadipicacid
212891.57 319688.62 239996.32
2-Hydroxyadipicacid+2.0358596
7481.95 6034.82 7231.33
2-Hydroxyadipicacid+2.74419
181413.41 150021.16 133491.05
2-Hydroxyiminodibenzyl
8043.00 6969.89 8580.63
2-Methyl-5-isopropylhexa-2Z,5-dienal
12305.41 11403.72 10800.18
2-Methylbutyrylglycine
14789.76 9515.65 9948.07
2-Methylbutyrylglycine+2.0774822
13564.58 25639.21 13814.32
2-Methylbutyrylglycine+3.1958613
18646.18 19382.77 35810.27
2-Methylbutyrylglycine+6.5558777
93862.38 40123.00 23762.00
2-Octenedioicacid
5274.45 5168.81 4627.22
2-Oxo-4E-hexenoicacid
7398.52 6731.14 8269.88
2-Pyrrolidinone
6213.23 5885.50 6123.79
2-Pyrrolidinone+2.0697286
49279.57 31307.03 35851.23
2-Pyrrolidinone+2.8319786
24469.87 17437.25 19636.40
2-Pyrrolidinone+3.2970328
91306.00 76967.88 92297.57
2-Pyrrolidinone+3.786596
6716.13 5799.75 5981.24
2R-aminoheptanoicacid
188693.40 188663.71 188357.77
2R-aminoheptanoicacid+6.352442
4638.71 3593.53 3587.89
2-tridecene-4,7-diynal
8819.38 6541.11 7440.56
3,3,45-Tetrahydroxystilbene
24832.14 28268.10 27480.30
3,3,45-Tetrahydroxystilbene+3.5932326
3911.82 5191.67 5928.71
3-(3-Indolyl)-2-oxopropanoicacid
11994.53 12910.22 12964.47
3,4,5-Trimethoxycinnamicacid
49425.74 119030.61 127519.21
3,4-Dihydrospirilloxanthin
27368.15 26109.83 28182.19
3,6,8-dodecatrien-1-ol
9000.56 7748.12 7398.07
3,6-octadecadiynoicacid
57217.17 33286.61 33595.17
3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one
69281.24 44447.29 44181.65
3-Amino-2-piperidone
5992.48 9011.10 5348.80
3-Aminoquinoline
13751.13 12931.71 13926.62
3-DeoxyvitaminD3
5107.33 6064.09 6160.63
3-dodecynoicacid
26224.03 22298.41 22821.70
3E,13Z-octadecadien-1-ol
16343.77 22570.91 17541.30
3E,5E-tridecadienoicacid
311229.87 414747.31 256958.30
3-IndoleaceticAcid
14005.33 13665.19 12138.57
3-Indolepropionicacid
5858.96 6331.91 6942.73
(3-Methoxy-4-hydroxyphenyl)ethyleneglycolsulfate
4096.44 4088.68 4502.00
3^-Methoxy-E,E-dienoestrol
9942.88 17008.12 12855.57
3-Nitrotyrosine
16791.97 14157.52 14010.97
3-oxo-4-pentenoicacid
6620.50 4558.41 6244.62
3R-hydroxy-5Z-dodecenoicacid
7070.43 7023.00 8337.26
3-tert-butyl-3-butenoicacid
4681.50 5200.17 5188.38
4,6-dioxoheptanoicacid
3678.84 3298.22 3309.72
4,7,10,13,16-docosapentaenoicacid
12585.22 12452.60 9139.33
4,7,10,13-hexadecatetraenoicacid
29246.82 33157.52 27075.40
4,8,12,15,19,21-tetracosahexaenoicacid
52861.18 30611.91 21703.36
4-Aminobutyraldehyde
57681.45 64020.50 62547.41
4-Aminobutyraldehyde+5.1793814
35635.10 38588.41 39671.47
4-Aminobutyraldehyde+5.271877
48441.97 61329.87 55391.17
4-Aminobutyraldehyde+5.382866
26764.57 29579.67 25794.52
4-Aminobutyraldehyde+5.617605
12228.80 9111.08 13785.42
4-Aminobutyraldehyde+6.510029
5049.20 5002.00 5584.25
4-(diaminomethylideneamino)butanoicacid
5405.44 5170.13 5110.42
4-dodecynoicacid
33516.90 58300.59 33900.47
4-Hydroxybenzylcyanide
268552.23 235050.62 223341.60
4-Hydroxybenzylcyanide+6.59952
8719.93 7751.24 5836.38
4-Hydroxybenzylcyanide+6.609466
10634.23 9911.03 11761.38
4-Hydroxypyridine
61507.96 31271.22 54156.07
4-Hydroxypyridine+1.305617
6712.71 4196.73 5057.71
4-Hydroxypyridine+3.056915
80058.63 105685.96 122902.37
4-Pyridoxicacid
8089.50 21108.55 16121.88
4-Pyridoxicacid+2.8116002
16352.64 13707.00 10026.88
4-undecynoicacid
20115.43 23256.00 13006.68
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin
5796.61 4924.67 4731.80
5-Acetyl-4-methylthiazole
5449.60 4726.96 5009.91
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituricacid
42655.37 37388.91 34386.07
5-(hydroxymethyl)-2-Furancarboxylicacid
10770.00 11824.41 7589.75
5-(hydroxymethyl)-2-Furancarboxylicacid+5.6119556
11008.14 14143.64 11830.65
5-(hydroxymethyl)-2-Furancarboxylicacid+5.7976537
7912.15 9783.30 7574.38
5-Methylthioribose
114322.80 92682.59 99355.20
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]
17747.50 17912.12 19147.08
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]+1.8134243
6706.50 7638.94 6105.73
5-NITRO-2-PHENYLPROPYLAMINOBENZOICACID[NPPB]+2.088407
8344.15 10002.00 7997.11
5-oxo-7-octenoicacid
5886.25 5254.41 4331.83
5Z,8Z-tetradecadienoicacid
77908.47 75458.09 101440.30
6-[3]-ladderane-1-hexanol
17398.10 11277.81 12319.27
6,8,10,12-pentadecatetraenal
27651.63 23588.10 23468.93
6,9,12-hexadecatrienoicacid
96342.13 68107.03 86020.07
6alpha-Hydroxycastasterone
207311.10 195821.64 179090.10
6alpha-Hydroxycastasterone+1.0918373
33864.73 98812.43 21654.50
6-Formylindolo[3,2-B]carbazole
18967.20 17831.03 19805.00
6-methyltetrahydropterin
12800.56 14328.83 23165.48
7,12-Dioxo-5beta-cholan-24-oicAcid
7125.32 11499.78 6830.36
7,8-dihydroxystearicacid
16603.11 20245.29 19083.92
7-Aminoclonazepam
204778.80 224832.23 227784.60
8-Amino-7-oxononanoate
138603.86 12709.58 9491.31
8-Amino-7-oxononanoate+7.294702
15876.90 15499.77 15417.10
8-Hydroxypromazine
6712.12 6437.89 6317.43
8-methoxy-13-hydroxy-9,11-octadecadienoicacid
28000.60 26454.75 26243.41
8R-hydroxy-9Z-octadecenoicacid
41465.13 79467.50 19349.50
9-amino-nonanoicacid
3459.72 4204.11 3835.16
9-chloro-10-hydroxy-hexadecanoicacid
20194.50 26702.33 15618.15
9-chloro-10-hydroxy-hexadecanoicacid+1.4075756
9133.00 19483.89 8957.29
9-hydroxy-12-oxo-10-octadecenoicacid
9092.50 8079.08 7348.18
9-lauroleicacid
39827.20 38338.66 36692.37
9R-hydroxy-10E-octadecenoicacid
235882.53 401699.69 316119.87
ACECLIDINE
75338.42 10047.25 8114.46
Acetamide
3505.35 5764.22 4084.73
Acetamide+1.3928151
4605.88 4061.59 4103.85
Acetamide+2.071302
3730.07 4371.71 3568.05
Acetoaceticacid
24709.33 24060.10 25001.53
Acetoin
4382.58 3725.28 4817.91
Acetoin+1.2081687
7159.04 7020.14 6984.86
Acetoin+1.6314733
15127.20 15082.53 17538.97
Acipimox
69565.67 61175.16 57562.87
Adenine
6243.56 7091.70 6761.18
AGELASINE
4782.48 6402.00 5488.18
AlaLeu
11155.54 11697.87 10636.03
AlaSerTrp
9064.86 8770.48 8743.81
alpha-Hydroxymetoprolol
12702.93 13811.16 11916.66
Amiloride
115170.80 90984.47 107208.29
Anandamide(20:2,n-6)
24621.22 53752.08 20225.92
ANCITABINE
14348.77 13867.06 29975.07
Aniline
44680.38 35815.00 47240.19
Aniline+5.6175404
71144.67 52542.39 74467.30
ANISOMYCIN
12718.67 10486.58 7288.13
ARECOLINE
20129.12 9315.83 23134.56
Arginine
8223.12 11149.47 8475.71
AsnAlaAsn
4938.73 4749.15 4387.81
AsnProLys
6880.82 7515.56 8415.86
Asymmetricdimethylarginine
5538.50 6289.44 7869.23
Azatadine
2030291.58 136855.10 815718.82
Benserazide
23011.53 22694.06 23341.10
beta-Alanine
9712.23 10732.43 10045.77
beta-Alanine+6.93935
5579.52 5601.13 5532.07
beta-vinylacrylicacid
5118.69 6430.56 4893.82
Bilirubin
80585.55 495734.24 88485.15
Bilirubin+3.949239
121791.13 101337.97 106518.20
BiliverdinIX
103803.67 110611.44 119244.50
BiliverdinIX+1.4045436
63491.57 193898.29 92810.67
BiliverdinIX+1.4682751
155504.32 105402.20 167789.12
BiliverdinIX+1.6236403
78664.67 127567.20 93296.79
BiliverdinIX+2.0339859
10459.68 13242.69 9435.52
BiliverdinIX+3.9496963
5728.12 5861.93 4472.75
Bis(2-hydroxypropyl)amine
100572.23 107308.84 105114.47
Bis(2-hydroxypropyl)amine+5.481559
33329.42 35702.96 37167.08
Bis(2-hydroxypropyl)amine+5.6003766
84752.18 85112.34 84880.73
Buprenorphine
114903.83 104483.68 105430.27
Buprenorphine+6.5073805
10391.24 16534.74 9035.67
B-ureidoisobutyricacid
5297.92 4685.63 4889.48
C17Sphinganine
16976.84 31854.23 22693.21
C20-OHSulfatide
50729.33 49207.00 53521.50
Caffeine
492312.96 432163.87 408086.78
campesta-5,22E-dien-3beta-ol
23105.87 17315.47 16878.48
Capryloylglycine
10970.32 11615.77 15086.81
Carbaryl
37088.57 26068.56 20867.13
carisoprodol
25855.37 26915.32 25888.93
CARYLOPHYLLENEOXIDE
7731.46 5490.72 5989.14
cefamandolenafate
18280.48 19676.08 17792.50
Chlorambucil
5320.00 5237.04 6114.35
Chloramphenicolalcohol
48851.17 61314.68 41112.00
Chloramphenicolalcohol+3.2187703
12090.33 9046.97 7684.70
ciclopirox
6207.95 6586.70 6098.80
cis-11-Hexadecenal
12613.43 13892.44 12730.00
Creatine
124893.07 132284.94 127675.43
Creatinine
12057.93 12204.39 9409.52
Creatinine+4.034313
12475455.30 12336029.25 11804225.20
cyclandelate
12956.53 14677.97 13279.40
cyclohexylammonium
22917.86 22172.14 26573.86
cyclohexylammonium+2.7358363
5580.26 5614.23 6104.95
cyclohexylammonium+5.197659
12959.89 14192.21 12384.65
CysAsnThr
14855.96 12821.57 14651.03
CysIleHis
5169.62 4805.44 5113.44
Cytosine
9817.66 8922.03 8248.50
Cytosine+3.4283657
17426.70 17008.33 16176.63
Cytosine+3.9679208
7773.00 7691.54 11324.36
D-1-Piperideine-2-carboxylicacid
4760.53 4738.60 3999.83
D-Biotin
12524.20 5717.92 8144.44
deschlorobenzoylIndomethacin
29792.85 24394.50 29343.42
D-Glucose
276695.07 233600.84 237806.43
D-Glucose+2.9642036
19983.47 18313.00 22964.26
D-Homogesterone
11504.41 11821.17 7417.90
Diacetyl
4470.47 4399.60 4369.00
Diacetyl+2.5974343
15268.87 13672.12 15270.64
Diacetyl+2.7385557
11592.23 11959.57 12188.00
Diethanolamine
9440.38 10640.64 10070.50
Diethanolamine+5.527126
12252.54 13163.58 12051.43
Diethanolamine+5.649868
13057.75 10603.29 11962.19
Diethanolamine+5.8253593
36482.03 38536.97 39134.00
Diethanolamine+6.332912
17198.00 16014.32 22515.77
Diethanolamine+6.525427
6638.70 4120.04 5311.36
Diethanolamine+6.6559505
5246.69 5517.57 5007.45
DIHYDROFISSINOLIDE
26429.44 10533.04 22328.83
DIHYDRO-OBLIQUIN
7020.31 6522.32 5697.58
Dihydroxylycopene/OH-Rhodopin
4977.00 10041.58 4293.50
Dimethylglycine
5830.48 5385.85 6015.59
Dimethylglycine+2.050125
7551.69 6140.64 6445.62
Dimethylglycine+2.8044205
11806.00 8001.26 9431.57
Dimethylglycine+4.069634
5584.47 5948.08 6685.00
Dimethylglycine+6.2130203
6975.00 6399.65 5034.47
Dimethylglycine+6.4713974
7705.93 8050.74 8663.77
dimethylsulfoxide
8750.47 6918.00 7962.70
DL-2-Aminooctanoicacid
486694.10 417962.19 377185.93
DL-2-Aminooctanoicacid+6.14302
8085.53 4638.44 9120.67
DL-2-Aminooctanoicacid+6.892978
5971.18 6677.79 5823.27
D-Leucicacid
4864.12 9749.20 6075.90
D-Leucicacid+1.7741078
4950.00 5162.32 6150.54
(E)-2-Methylglutaconicacid
219496.54 212668.62 184870.50
(E)-2-Methylglutaconicacid+2.7288678
204206.12 186641.28 177040.44
(E)-2-Methylglutaconicacid+7.1860867
27185.70 27034.81 26245.73
Ecgonine
50535.80 47080.71 47018.53
Ecgonine-methylester
10035.57 8922.87 9193.00
Ectoine
4717.29 5633.75 3435.33
epsilon-Caprolactam
63595.59 70715.23 52877.17
epsilon-Caprolactam+6.1013503
13959.85 8242.50 9693.67
epsilon-Caprolactam+6.236251
9261.75 6395.61 9894.43
Ergoline-8-methanol,10-methoxy-1,6-dimethyl-
3935.88 3557.50 2958.09
Erythromycin
7129.83 7537.74 6743.10
Estradiolvalerate
4239.62 2516.75 4294.60
Estronesulfate
3324.18 3148.60 3923.60
Ethosuximide
60163.35 24338.77 41778.21
EthosuximideM7
6653.61 5668.73 5855.68
Fexofenadine
28068.97 26025.97 25192.40
Formestane
28558.40 28803.06 27312.67
Gabapentin
8127.00 8035.16 7645.70
GlcAbeta-Cer(d18:1/18:0)
91014.83 130334.41 99356.43
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))
7071.58 6631.08 6721.23
Glucoheptonicacid
26284.50 34106.75 33122.33
Glucosamine
232407.38 189134.78 162781.06
Glucosamine+2.7338603
154556.06 130323.33 187792.56
GluGlu
10596.44 8777.64 9850.08
Glutaral(Glutaraldehyde)
6266.90 4173.00 4327.74
Glutaral(Glutaraldehyde)+6.687109
4253.10 14840.25 5242.50
Glycoursodeoxycholicacid
17930.96 24493.19 11586.23
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
1334090.62 1875881.78 493721.71
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
24264.82 29548.94 30204.00
GPEtn(18:0/18:3(9Z,12Z,15Z))[U]
14894.32 14983.20 15830.46
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]
20104.32 25669.66 23559.33
GPEtn(18:1(11Z)/18:1(9Z))[U]
89384.77 37300.19 67673.48
GPEtn(18:1(11Z)/18:1(9Z))[U]+2.416716
25026.60 11071.35 20287.80
GPEtn(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))[U]
57890.71 10038.95 39579.83
GPEtnNMe(18:2(9Z,12Z)/18:2(9Z,12Z))[U]
17819.47 44477.88 54419.85
GPSer(16:0/18:1(11Z))
10675.88 6189.58 8623.96
GuanidinosuccinicAcid
16340.33 18064.94 17407.57
GuanidinosuccinicAcid+5.802178
13165.83 14452.81 13520.83
HARMINE
15314.56 13551.07 10544.60
HECOGENINACETATE
13294.63 21834.72 13925.22
Hippuricacid
199918.87 166379.35 232975.37
Homoserine
50560.10 33572.18 47148.39
Hydroxyhydroquinone
47731.32 46944.72 45307.86
Hydroxyhydroquinone+2.737934
32450.43 40731.38 35195.18
Hypoxanthine
280874.93 616370.75 444943.27
Hypoxanthine+2.7105587
337374.54 365714.95 238178.26
IleSerLys
11916.40 15037.03 11415.83
INDOLE-3-CARBINOL
26688.85 33123.83 30219.88
Indole-3-ethanol
5771.77 7620.52 6649.62
Indole-3-ethanol+5.1084623
10502.48 12590.54 9874.66
Indole-3-ethanol+6.418022
6357.79 6631.23 5823.59
Indoleacetaldehyde
7988.53 10941.29 11988.00
Indoleacrylicacid
29737.67 31005.25 25360.87
Indoleacrylicacid+5.4790144
9764.43 5551.57 9174.83
Indoleacrylicacid+5.505976
49638.75 47060.81 52911.87
Indoleacrylicacid+5.610031
31166.27 36712.88 33916.17
Ins-1-P-Cer(d18:1/22:0)
13137.05 14291.00 13732.68
isoamylnitrite
11000.63 9265.08 9948.32
isoamylnitrite+1.8073217
12467.90 11379.45 10555.03
Isoleucine
117719.57 127221.41 122456.20
Isoniazid
10362.68 9793.78 9418.90
Isopentenyladenine
2313993.47 2359210.71 2265296.17
Isoquinoline
6159.75 6082.87 5957.07
IsoquinolineN-oxide
5866.53 5867.43 4116.75
ISOSAFROLE
4395.07 4017.04 3510.79
ISOSAFROLE+1.0978807
4248.08 4102.93 3929.33
Ketaminemetabolite(Cyclohexanone,2-(2-chlorophenyl)-5-hydrox...
8964.68 7509.43 8319.13
KOBUSONE
60543.54 47331.12 39383.73
L-2-Aminoadipicacid
42070.29 10248.00 28541.82
L-2-Aminoadipicacid+2.5918813
8235.30 11626.25 8045.95
L-4-Hydroxy-3-methoxy-a-methylphenylalanine
6352.93 6649.83 7596.44
Lacticacid
19952.58 19469.50 15280.71
Leucine
26171.37 25473.22 27219.80
Leucine+4.3551145
5137.62 4816.93 4854.54
Leucine+5.7213707
193260.53 190153.56 195565.47
Leucine+6.7406497
9049.22 12301.90 7480.71
Leupeptin
8985.12 7867.09 9567.95
LeuPro
75924.73 70867.74 61231.20
LeuPro+8.030013
96534.23 81530.43 76214.87
LeuProPro
5090.32 5876.82 5508.68
LEVULINICACID,3-BENZYLIDENYL-
6469.73 5688.66 5550.30
L-gamma-Cyano-gamma-aminobutyricacid
20706.47 16097.32 13740.40
L-gamma-Cyano-gamma-aminobutyricacid+1.2438003
3632.84 3706.65 3788.21
L-Glutamicaciddibutylester
113419.10 97513.16 86474.87
Lorazepamglucuronide
2906.93 2866.12 2833.92
Loroxanthinester/Loroxanthindodecenoate
4777.46 5081.76 4388.23
L-Urobilin
60959.17 20977.41 29921.67
LysGlnIle
75049.00 77749.08 88310.18
LysHisMet
1204167.63 1145720.34 1288971.67
Mazindol
44154.50 49630.45 50629.93
Mefloquine
2288.11 2251.96 2291.04
Methionine
36281.33 30956.53 37270.53
Methylglyoxal
11124.69 17546.50 13107.27
Methylglyoxal+2.6626153
11552.12 9771.88 10943.72
MetTrpGln
10031.46 16361.44 7685.70
MYCOPHENOLICACID
7400.28 8587.44 7502.00
myo-Inositol
93625.92 68318.47 74552.86
N1-Acetylspermidine
8179.73 8933.26 8246.55
N1,N4-Diacetylsulfanilamide
9172.17 13958.77 12790.14
N-(2-hydroxyethyl)palmitamide
52438.38 44645.57 57928.26
N-(2-hydroxyethyl)stearamide
26172.22 21703.00 28234.32
N2,N2-Dimethylguanosine
17462.97 14662.03 13880.40
N^-5Z,8Z,11Z,14Z-eicosatetraenoyl-N^^-diethyl-ethylenediamin...
18415.43 12986.82 7127.71
N-Acetylarylamine
3779.00 3686.35 3785.18
N-Acetylcadaverine
13803.67 4637.00 16955.94
Nadolol
214078.93 263700.23 174462.18
Nalorphine
26947.10 60785.81 34362.43
Naphazoline
3704.11 3537.67 3299.86
N-arachidonoylD-serine
8537.92 8562.50 12556.58
Netilmicin
74466.53 85014.68 521864.00
Nevirapine
9795.81 9184.00 9303.74
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
105094.09 92953.43 80234.05
n-HexanoicAcid
5707.83 12362.94 5925.80
N-HISTIDYL-2-AMINONAPHTHALENE(betaNA)
141707.10 21782.19 25679.37
Niacinamide
63520.79 67840.00 82956.60
N-Methyl-2-pyridone-5-carboxamide(Nudifloramide)
302557.43 285340.62 245444.10
N-methyl-Gabapentin
4753.47 4281.91 2823.27
n-methylnicotinamide
6519.15 5582.60 6387.57
n-methylnicotinamide+6.0330334
66603.63 96460.84 72198.07
N,N-dimethylhistidine
5932.00 8662.30 6407.73
N,O-Didesmethylvenlafaxine
24444.39 37469.44 22975.50
Norcodeine
531386.86 1266760.12 636971.67
Normeperidinicacid
3756.95 4190.44 3884.07
N(pai)-Methyl-L-histidine
7142.75 5054.00 4429.60
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoylamine
3961.00 4107.60 5259.50
o-Hydroxyaniline
20669.52 17613.88 17961.56
OLEANANOICACIDACETATE
44241.23 29022.39 23092.50
OphiobolinA
15178.44 10450.26 14349.63
o-Toluenesulfamide
6091.50 6765.22 6340.82
p-Aminobenzoicacid
179754.23 146343.65 177143.07
PantothenicAcid
100613.03 117857.65 96048.47
Parasiloxanthin/7,8-Dihydrozeaxanthin
59412.24 74126.23 58824.42
p-Coumaricacid
21709.50 21837.97 22713.57
pentanamide
10663.27 10860.61 10763.00
Pergolide
7090.55 9634.17 8750.85
PGF2alphaisopropylester
30234.43 24836.72 46789.81
Phenacetine
4518.68 3655.44 3658.22
Phenylethylmalonamide(PEMA)
14343.00 13231.85 15233.11
Phenylmethylmethylketone
7314.41 7316.10 7718.46
PhthalicacidMono-2-ethylhexylEster
29102.50 26768.19 25165.10
p-Hydroxyaniline
33043.25 11917.00 25387.59
p-HYDROXYCINNAMALDEHYDE
166960.17 180635.03 163686.20
Pinacidil
9165.46 8077.75 6612.07
Pinacidil+6.5333734
127411.80 118291.84 108935.53
Pinacidil-N-Oxide
6758.37 5666.52 5968.71
ProArgAsp
88074.76 92065.85 90742.85
ProHis
9813.07 13662.03 47129.14
Proline
615173.17 569324.13 509130.10
Proline+1.2899779
3592.17 3767.50 3849.06
Propionylglycinemethylester
23972.43 15701.23 18548.00
Propionylglycinemethylester+3.163646
71934.00 54569.09 26383.20
Propionylglycinemethylester+6.2598743
36344.71 12114.21 21395.05
Propofol
7963.28 6682.65 7215.81
PROPOXUR
5537.95 6004.93 5215.88
ProTyr
38973.17 19871.30 18007.25
Purine
386441.69 376060.46 409902.41
Purine+0.8148545
481734.21 576540.00 504561.38
Purine+1.0468682
322120.00 322753.15 362361.59
Pyrazinoicacid
8957.93 7492.61 7346.23
Pyridine
9858.15 8819.12 9724.43
Pyridoxamine
9724.00 9450.37 8469.40
Pyroglutamicacid
12957.53 11264.57 10295.75
Pyroglutamicacid+5.8255005
4563.87 5607.03 4488.30
Pyroglutamicacid+6.828353
15689.67 16958.97 16530.90
QUERCETINTETRAMETHYL(5,7,3^,4^)ETHER
4220.75 3418.64 4290.13
Quinone
12208.75 11575.36 12694.00
Rimiterol
11405.81 14396.41 8226.53
Salicyluricacid
33529.31 65403.85 37806.46
S-Methylpenicillamine
4996.55 3751.71 4500.18
sn-1,2-Dioctanoylglycerol
48903.53 56040.03 47983.20
stigmasta-7,22E,25-trien-3beta-ol
40148.55 24294.69 32403.37
Sulfaquinoxaline
16117.80 16768.48 16509.63
Taurine
4022.09 3621.18 4188.04
TEGASEROD
4297.82 7993.67 4561.72
TEGASEROD+6.4934783
3870.81 3862.00 3318.38
Terephthalicacid
4827.28 4348.79 3851.40
Tetrahydrofuran
5362.30 7045.32 6006.31
Theobromine
15701.96 18495.24 14633.67
Theobromine+1.4370109
436067.13 536322.00 492415.68
Tiamulin
26978.10 26864.19 24136.20
Tiamulin+6.5371113
368605.50 410089.16 344792.03
Tranexamicacid
4426.88 4796.33 4669.93
Tranexamicacid+1.6364517
30734.64 38870.13 19781.12
Tranexamicacid+6.7028675
55490.20 47378.23 43069.93
Traumaticacid
8322.28 8810.68 7535.68
Trihydroxycoprostanoicacid
17663.88 21140.79 13409.38
Trimethylamine
7842.67 8228.53 8273.60
Triparanol
22600.67 21444.57 22712.53
Triparanol+6.444099
19907.63 14486.26 24133.73
Triparanol+6.739891
3184952.23 2941145.58 1473553.87
Triparanol+7.1791935
7213.40 6935.21 7113.41
TROMETHAMINE
11163.28 9010.52 12212.00
TROMETHAMINE+5.1856112
16476.48 14224.17 15643.46
TROMETHAMINE+5.4366517
26951.63 21248.25 23899.53
TROMETHAMINE+5.5924644
17281.15 18279.77 15698.86
TROMETHAMINE+5.7465215
21062.43 14287.20 19564.73
TROMETHAMINE+5.827722
22429.67 16981.00 16918.00
TROMETHAMINE+5.9955096
8132.41 9565.52 12628.00
TROMETHAMINE+6.2190123
10017.27 8933.29 7372.84
TROMETHAMINE+6.6530137
5043.43 4760.12 5050.45
TrpAlaIle
9748.35 6471.84 10264.48
TrpArgGly
2659.94 3019.56 2625.27
TrpTyrTyr
23263.67 26534.24 18674.71
Ubiquinone
7846.10 7492.87 6227.36
Ubiquinone+1.1367501
33814.80 31177.47 27623.21
Uracil
24089.20 26596.45 26185.80
Urea
194968.00 476873.65 114668.23
Urea+5.482235
4307.72 5216.63 4371.07
Uricacid
17280.37 11177.33 10816.17
Uridine
390156.43 347147.68 332111.70
Urocanicacid
19642.47 29484.20 14127.77
Urocanicacid+2.856702
6622.43 23296.32 5416.29
URSINICACID
12198.52 15835.74 15033.77
VALERYLSALYCILATE
49106.80 60663.80 85653.08
ValHisAsn
17378.90 16953.90 18425.28
Valine
124146.83 128051.16 130462.27
Valine+6.60313
4112316.10 4037330.90 3943255.10
ValSerLys
11512.25 15954.92 18365.88
ValSerLys+1.0849711
16181.24 9702.43 11386.13
Vigabatrin
13129.40 19996.25 16412.37
Vigabatrin+6.2900124
84420.90 74052.00 43265.33
(Z)-N-(2-hydroxyethyl)hexadec-7-enamide
35298.82 32563.03 31515.00

Factors:

F1Cognitive Status:AD
F2Cognitive Status:CN
F3Cognitive Status:MCI
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