Clustering data with hclust algorithm for Brain-Immune system-Gut Interaction in Chronic Mild Stress (CMS +/- Lacto) (Study ST000696)

Reversed phase NEGATIVE ION MODE (Analysis AN001079)
MetaboliteStructureF1F2F3F4
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-ME1970531.22NA0.830.95
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-ME1971161.00NA1.110.89
DEOXYURIDINE (CAS# 951-78-0); (M-H)-ME1971211.05NA0.931.02
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-ME1970320.81NA1.141.05
BENZOATE (CAS# 65-85-0); (M-H)-ME1970740.73NA0.931.34
ACETOACETATE (CAS# 541-50-4); (M-H)-ME197056NANA1.050.95
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+ME1970590.96NA1.410.71
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-ME1970550.72NA1.061.22
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-ME1970910.91NA1.021.07
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+CL)-ME1970990.43NA1.401.17
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)-ME1970340.74NA1.230.89
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-ME1970140.91NA0.941.16
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+HCOO)-ME1971000.88NA1.180.94
ASPIRIN (CAS# 50-78-2); (M-H)-ME1970711.56NANA0.44
ALDOSTERONE (CAS# 52-39-1); (M+CL)-ME1970620.78NANA1.22
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]ME1970760.97NA0.821.33
CHOLATE (CAS# 81-25-4); (M-H)-ME1970881.60NA0.360.91
2^-DEOXYINOSINE (CAS# 890-38-0); (M-H)-ME197020NANA1.330.34
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-ME1970281.06NA0.871.07
2-HYDROXYBUTYRATE (CAS# ); (M-H)-ME1970230.92NA0.991.09
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-ME1970680.89NA0.661.45
4-COUMARATE (CAS# 501-98-4); (M-H)-ME1970381.02NA0.851.13
ARACHIDONATE (CAS# 506-32-1); (M-H)-ME1970690.86NA1.071.07
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)-ME1970190.82NA1.53NA
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-ME1970250.78NA1.111.11
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-ME1970420.92NA0.921.16
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-ME1970491.37NANA0.63
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-ME1970541.19NA0.861.19
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-ME1970300.84NA1.180.98
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-ME1970311.08NA0.990.92
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-ME1970090.73NA0.901.37
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-ME1970831.33NA0.631.03
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-ME1970450.88NA1.021.13
D-LYXOSE (CAS# 1114-34-7); (M+CL)-ME197104NANA1.040.96
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]ME1970640.84NA1.180.98
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-ME1970410.92NA0.921.16
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-ME1970480.90NA1.071.03
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-ME1971201.07NA0.940.99
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)-ME1970650.92NA0.991.09
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-ME1970263.35NA0.310.51
DIACETYL (CAS# 431-03-8); (M+HCOO)-ME1971230.98NA0.821.20
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-ME1970610.81NA1.141.05
BOC-LYS-OH (CAS# 13734-28-6); (M-H)-ME1970790.99NA0.991.01
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-ME1970130.95NA1.08NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)-ME1970810.67NANA1.33
3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)-ME1970291.47NANA0.53
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-ME1971121.05NA0.871.08
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-ME1970970.83NA1.300.88
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-ME1971130.88NA1.091.03
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-ME1970121.19NA1.120.71
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-ME1971191.02NA0.951.03
D-LYXOSE (CAS# 1114-34-7); (M-H)-ME197106NANA0.991.01
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-ME1970461.04NA0.990.98
ADENOSINE (CAS# 58-61-7); (M+CL)-ME1970570.83NA1.51NA
CHOLATE (CAS# 81-25-4); (M+CL)-ME1970871.86NANA0.14
CINNAMIC ACID (CAS# 140-10-3); (M-H)-ME1970890.43NA0.921.54
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-ME1970330.72NA1.061.21
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-ME1970401.08NA0.950.91
ADENOSINE (CAS# 58-61-7); (M+HCOO)-ME1970580.77NA1.141.12
CATECHOL (CAS# 120-80-9); (M-H)-ME1970840.93NA0.701.60
CHOLATE (CAS# 81-25-4); (2M-H)-ME1970862.61NA0.090.23
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-ME1970180.75NA1.161.09
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-ME1970210.82NA1.031.15
CELLOBIOSE (CAS# 528-50-7); (M+CL)-ME1970851.87NA0.252.06
BOC-SER-OH (CAS# 3262-72-4); (M-H)-ME1970800.52NA1.141.45
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-ME1970771.59NA0.301.76
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)-ME1970751.22NA0.580.92
DGMP (CAS# 902-04-5); (M-H)-ME1971221.35NA0.581.17
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-ME1970930.92NA1.001.08
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-ME1971240.86NA1.170.97
3-SULFINO-L-ALANINE (CAS# 1115-65-7); (M-H)-ME197035NANA0.571.43
AZELAIC ACID (CAS# 123-99-9); (M-H)-ME1970720.78NA1.091.13
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-ME1970670.98NA0.991.03
BIOTIN (CAS# 58-85-5); (M-H)-ME1970780.61NA1.361.27
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-ME1970981.18NA1.120.71
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-ME1970511.06NA0.711.01
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-ME1970920.93NA0.991.08
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-ME1971010.78NA1.091.13
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-ME1970900.88NA0.751.37
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-ME1971031.51NA0.641.39
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)-ME1971141.07NANA0.93
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-ME1970110.93NA1.390.69
4-NITROPHENOL (CAS# 100-02-7); (M-H)-ME1970440.76NA1.211.03
DECANOATE (CAS# 334-48-5); (M-H)-ME1971100.82NA0.841.31
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-ME1971051.36NA0.581.26
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-ME1970601.03NA1.020.95
CITRATE (CAS# 77-92-9); (M-H)-ME1970951.17NA0.860.97
CITRULLINE (CAS# 372-75-8); (M-H)-ME1970961.70NA0.230.79
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-ME1970240.61NA1.241.16
CYTIDINE (CAS# 65-46-3); (M+CL)-ME1971021.32NA0.460.96
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-ME197015NANA0.381.83
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-ME1970431.81NA0.710.76
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-ME1970100.89NA0.511.56
BEHENIC ACID (CAS# 112-85-6); (M-H)-ME1970730.77NA0.931.30
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-ME1970470.92NA1.031.05
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)-ME1970221.41NA0.760.78
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)-ME1970391.29NA0.800.84

Factors:

F1stress:N | treatment:None
F2stress:POOLED | treatment:POOLED
F3stress:Y | treatment:+Lacto
F4stress:Y | treatment:None
Data matrix
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