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

Reversed phase POSITIVE ION MODE (Analysis AN001080)
MetaboliteStructureF1F2F3F4
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+H)+[-H2O]ME1975841.38NA1.440.58
MALTOSE (CAS# 69-79-4); (M+NA)+ME1975631.03NA0.951.01
XANTHOSINE (CAS# 146-80-5); (M+H)+ME1977050.72NA1.031.24
PYRIDOXAL (CAS# 66-72-8); (M+H)+ME1976371.17NA0.83NA
HYPOXANTHINE (CAS# 68-94-0); (M+NA)+ME1975200.47NA1.031.39
PANTOLACTONE (CAS# 599-04-2); (M+H)+[-H2O]ME1976190.67NA1.151.18
CINNAMIC ACID (CAS# 140-10-3); (M+H)+[-H2O]ME1974380.58NA0.702.02
N-CYCLOHEXYLFORMAMIDE (CAS# 766-93-8); (M+NA)+ME1975941.04NA0.831.12
METHYL INDOLE-3-ACETATE (CAS# 1912-33-0); (M+NA)+ME1975680.76NA1.011.23
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M+NA)+ME1975870.91NA0.991.15
CORTISOL 21-ACETATE (CAS# 50-03-3); (M+NA)+ME1974470.67NA0.991.25
URATE (CAS# 69-93-2); (M+NA)+ME197695NANA1.350.31
O-ACETYLCARNITINE (CAS# 461-77-8); (M+H)+ME1976100.82NA0.851.34
1-METHYLADENOSINE (CAS# 15763-06-1); (M+H)+ME1973091.14NA0.71NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M+NA)+ME1973461.77NA0.590.66
THYMIDINE (CAS# 50-89-5); (M+NA)+ME1976800.96NA0.961.08
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+ME1975530.33NA1.421.49
PARAXANTHINE (CAS# 611-59-6); (M+NA)+ME1976220.98NA0.991.03
SUBERIC ACID (CAS# 505-48-6); (M+H)+[-H2O]ME1976640.90NA0.831.22
URATE (CAS# 69-93-2); (M+H)+ME1976940.82NA1.031.14
GLUTATHIONE (CAS# 27025-41-8); (M+H)+ME1975000.82NA1.171.01
XANTHOSINE (CAS# 146-80-5); (M+NA)+ME1977060.76NA1.071.11
ZEATIN [ISTD] (CAS# 13114-27-7); (M+H)+ME1977080.86NA0.991.15
SUBERIC ACID (CAS# 505-48-6); (M+NA)+ME1976650.67NA1.051.28
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+ME1975380.79NA1.291.34
N(PAI)-METHYL-L-HISTIDINE (CAS# 332-80-9); (M+H)+ME1975751.18NA1.070.81
CHOLATE (CAS# 81-25-4); (2M+NA)+ME1974323.46NANA0.18
RIBOFLAVIN (CAS# 83-88-5); (M+H)+ME1976441.38NANA0.90
SHIKIMATE (CAS# 138-59-0); (M+H)+[-H2O]ME1976571.64NA0.890.47
PIPECOLATE (CAS# 535-75-1); (M+H)+ME1976301.35NA0.321.20
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M+H)+ME1973920.99NA1.100.90
HIPPURATE (CAS# 495-69-2); (M+NA)+ME1975130.79NA1.031.18
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M+H)+ME1976480.79NA0.981.29
ALDOSTERONE (CAS# 52-39-1); (M+NA)+ME1973981.11NA0.921.14
DEOXYCYTIDINE (CAS# 951-77-9); (M+H)+ME1974740.99NA1.001.02
3-HYDROXYBENZYL ALCOHOL (CAS# 620-24-6); (M+H)+ME1973480.66NA1.011.20
TRICARBALLYLIC ACID (CAS# 99-14-9); (M+H)+[-H2O]ME1976850.55NA0.951.32
TRYPTOPHAN (CAS# 73-22-3); (M+NA)+ME1976890.87NA1.031.10
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M+H)+[-H2O]ME1973470.75NA1.041.21
4-HYDROXY-3-METHOXY-BENZENEMETHANOL (CAS# 498-00-0); (M+H)+[-H2O]ME1973640.75NA1.241.52
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+H)+[-H2O]ME197354NANA0.951.03
URSODIOL (CAS# 128-13-2); (M+NA)+ME1977001.28NA0.211.51
D-PSICOSE (CAS# 551-68-8); (2M+NA)+[-H2O]ME1974661.14NA0.831.06
2^-DEOXYINOSINE (CAS# 890-38-0); (M+NA)+ME197326NANA1.900.10
L-HISTIDINE (CAS# 71-00-1); (M+H)+ME1975432.10NA0.590.22
L-HISTIDINE (CAS# 71-00-1); (M+NA)+ME1975441.25NA0.920.87
ALLOSE (CAS# 2595-97-3); (M+NA)+[-H2O]ME1974011.77NA0.590.66
PROLINE (CAS# 147-85-3); (M+NA)+ME1976351.47NA1.000.84
INDOLE-3-PYRUVIC ACID (CAS# 392-12-1); (M+NA)+ME1975281.06NA0.97NA
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+NA)+ME1974371.08NANA0.96
3-METHYLXANTHINE (CAS# 1076-22-8); (M+H)+ME1973570.61NA0.981.41
PYRIDOXAL (CAS# 66-72-8); (M+H)+[-H2O]ME197638NANA0.961.08
16:0 LYSO PC (CAS# 17364-16-8); (M+NA)+ME1973191.14NA1.180.68
SPERMIDINE (CAS# 124-20-9); (M+H)+ME1976591.28NA0.940.78
HYPOXANTHINE (CAS# 68-94-0); (M+H)+ME1975190.61NA1.071.24
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+H)+ME1975770.85NA0.931.21
GLUCOSE (CAS# 50-99-7); (2M+NA)+ME1974940.64NA1.121.13
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+NA)+ME1975550.97NA0.811.22
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+H)+ME1976150.82NA1.171.01
L-ORNITHINE (CAS# 70-26-8); (M+H)+ME1975451.14NA0.900.93
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+H)+ME1976730.30NA1.35NA
MELIBIOSE (CAS# 585-99-9); (M+NA)+ME1975651.10NA0.831.05
STACHYOSE (CAS# 54261-98-2); (M+NA)+ME1976631.08NA0.801.15
RAFFINOSE (CAS# 512-69-6); (M+NA)+ME1976421.02NA0.871.07
VALINE (CAS# 72-18-4); (M+NA)+ME1977021.39NA1.060.55
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+NA)+ME1973271.12NA0.841.10
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+H)+ME1973240.92NA1.32NA
LITHOCHOLIC ACID (CAS# 434-13-9); (M+NA)+ME1975571.07NA1.290.51
SPHINGANINE (CAS# 764-22-7); (M+NA)+ME197661NANA0.531.47
N-METHYLNICOTINATE (CAS# 535-83-1); (M+H)+ME1975981.20NA0.810.99
16:0 LYSO PC (CAS# 17364-16-8); (M+H)+ME1973181.10NA1.100.80
XANTHINE (CAS# 69-89-6); (M+H)+ME1977041.64NA0.641.11
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+NA)+ME1975350.81NA0.961.23
MYO-INOSITOL (CAS# 87-89-8); (M+NA)+ME1975740.91NA1.110.98
ERYTHRITOL (CAS# 149-32-6); (M+NA)+ME1974860.71NA1.061.16
CITRATE (CAS# 77-92-9); (M+NA)+ME1974410.96NA0.991.05
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M+NA)+ME197599NANA1.290.85
THROMBOXANE B2 (CAS# 54397-85-2); (M+NA)+ME1976791.00NA0.911.06
20:0 LYSO PC (CAS# 108341-80-6); (M+H)+ME1973351.57NANA0.43
CREATININE (CAS# 60-27-5); (M+NA)+ME1974511.11NA1.030.86
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M+H)+ME1975110.98NA0.951.08
RIBOSE (CAS# 50-69-1); (M+NA)+ME1976461.00NA1.380.52
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M+H)+ME197366NANA1.250.75
AZELAIC ACID (CAS# 123-99-9); (M+NA)+ME1974100.76NA1.071.17
PHENYLALANINE (CAS# 63-91-2); (M+H)+ME1976250.92NA0.961.12
TAUROLITHOCHOLATE (CAS# 516-90-5); (M+NA)+ME1976740.66NANA1.17
INDOLE-3-ACETATE (CAS# 87-51-4); (M+H)+ME1975250.93NA0.891.15
2-HYDROXYBUTYRATE (CAS# ); (M+NA)+ME1973310.80NA1.001.20
KYNURENINE (CAS# 343-65-7); (M+H)+ME1975360.99NA0.861.15
4-COUMARATE (CAS# 501-98-4); (M+H)+ME197361NANA0.891.11
BIS(2-ETHYLHEXYL)PHTHALATE (CAS# 117-81-7); (M+NA)+ME1974201.16NA1.300.42
QUINOLIN-2-OL (CAS# 59-31-4); (M+H)+ME1976390.86NA0.921.22
ARABINOSE (CAS# 147-81-9); (M+NA)+ME1974051.04NA1.370.50
LOPERAMIDE (CAS# 34552-83-5); (M+H)+ME1975580.80NA0.991.21
GALACTURONIC ACID (CAS# 91510-62-2); (M+NA)+[-H2O]ME1974891.32NANA0.68
QUINOLIN-2-OL (CAS# 59-31-4); (M+NA)+ME1976400.91NA0.931.16
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M+H)+ME1973910.94NA1.300.64
BETA-MALTOSE (CAS# 69-79-4); (M+NA)+ME1974141.03NA0.931.03
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+NA)+ME1973420.89NA0.911.20
DECANOATE (CAS# 334-48-5); (2M+NA)+ME1974681.21NA1.120.61
20:0 LYSO PC (CAS# 108341-80-6); (M+NA)+ME1973361.03NA1.020.96
CITRULLINE (CAS# 372-75-8); (M+NA)+ME1974421.09NA0.970.96
S-ADENOSYLMETHIONINE (CAS# 29908-03-0); (M+H)+ME1976490.83NA1.061.00
BETA-ALANINE (CAS# 107-95-9); (M+H)+ME1974121.00NA0.741.33
CHOLATE (CAS# 81-25-4); (M+NA)+ME1974331.60NA0.340.93
NORMETANEPHRINE (CAS# 0); (M+H)+[-H2O]ME1976070.92NA0.961.12
MALATE (CAS# 636-61-3); (M+NA)+ME1975611.19NA0.881.06
OLEIC ACID (CAS# 112-80-1); (M+NA)+ME1976121.07NA1.230.70
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+NA)+ME1976180.71NA0.911.39
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+NA)+ME197636NANA0.691.31
D-GALACTOSAMINE (CAS# 7535-00-4); (2M+NA)+ME1974621.17NANA0.83
SPHINGANINE (CAS# 764-22-7); (M+H)+ME1976600.90NA0.881.11
GLUCOSE (CAS# 50-99-7); (M+NA)+ME1974960.86NA1.101.04
L-ARGININE (CAS# 74-79-3); (M+NA)+ME1975400.99NA0.971.05
DI-TERT-BUTYL DICARBONATE (CAS# 24424-99-5); (M+NA)+ME1974780.50NA0.731.65
2-METHYLPROPANAL OXIME (CAS# 151-00-8); (M+H)+[-H2O]ME1973341.53NA0.640.94
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+NA)+ME1973730.86NA1.14NA
CAFFEINE (CAS# 58-08-2); (M+H)+ME1974260.27NA1.770.96
GLUCOSE (CAS# 50-99-7); (2M+NA)+[-H2O]ME1974951.03NA0.951.04
DEBRISOQUIN (CAS# 581-88-4); (M+H)+ME1974670.45NA2.060.49
THEOPHYLLINE (CAS# 58-55-9); (M+NA)+ME1976760.93NA1.041.03
SUCROSE (CAS# 57-50-1); (M+NA)+ME1976661.02NA0.951.03
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M+NA)+ME1973140.48NA0.961.38
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+H)+ME1974711.24NA0.820.90
ACETAMINOPHEN (TN TYLENOL) (CAS# 103-90-2); (M+NA)+ME1973880.75NA0.951.30
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+NA)+ME1975820.94NA0.931.15
GLUTATHIONE (CAS# 27025-41-8); (M+H2)+2ME1975010.86NA1.160.98
HOMOSERINE (CAS# 672-15-1); (M+H)+ME1975160.75NA1.231.27
CAFFEINE (CAS# 58-08-2); (M+NA)+ME1974271.11NA1.160.81
GLUTAMATE (CAS# 56-86-0); (M+H)+[-H2O]ME1974970.95NA0.971.07
PHENYLALANINE (CAS# 63-91-2); (M+NA)+ME1976260.90NA1.001.08
PHENYL ACETATE (CAS# 122-79-2); (M+H)+ME1976230.73NA1.261.54
RIBOSE 5-PHOSPHATE (CAS# 4300-28-1); (M+NA)+ME1976470.99NA0.931.24
SEROTONIN (CAS# 50-67-9); (M+H)+ME1976550.81NA1.160.87
DEOXYCYTIDINE (CAS# 951-77-9); (M+NA)+ME1974751.16NA0.551.17
HISTAMINE (CAS# 51-45-6); (M+H)+ME1975141.01NA0.861.11
5ALPHA-CHOLEST-7-EN-3BETA-OL (CAS# 80-99-9); (M+H)+[-H2O]ME1973830.76NA0.861.38
LEUCINE (CAS# 328-39-2); (M+H)+ME1975510.85NA1.021.12
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+H)+[-H2O]ME1975950.80NA0.781.63
CREATINE (CAS# 57-00-1); (M+H)+ME1974491.16NA0.781.07
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+H)+[-H2O]ME197384NANA0.951.04
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+NA)+ME197493NANA0.931.04
NORVALINE (CAS# 6600-40-4); M+[-CO2H]ME1976091.13NA0.920.98
BIURET (CAS# 108-19-0); (M+NA)+ME197422NANA0.841.16
GLYCINE (CAS# 56-40-6); (M+H)+ME1975040.17NA1.241.02
CYTIDINE (CAS# 65-46-3); (M+H)+ME1974591.00NA0.801.40
PROLINE (CAS# 147-85-3); (M+H)+ME1976341.91NA0.520.56
TRYPTOPHAN (CAS# 73-22-3); (M+H)+ME1976880.89NA0.981.12
AZELAIC ACID (CAS# 123-99-9); (M+H)+[-H2O]ME1974090.70NA1.081.22
TAUROCHENODEOXYCHOLATE (CAS# 516-35-8); (M+NA)+ME1976701.07NANA0.93
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M+NA)+ME1975780.88NA0.861.33
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M+2H)+2ME1976140.86NA1.160.98
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+H)+ME1974360.82NA1.12NA
4-COUMARATE (CAS# 501-98-4); (M+H)+[-H2O]ME1973621.24NA0.76NA
LACTOSE (CAS# 63-42-3); (M+NA)+ME1975471.12NA0.811.04
URIDINE (CAS# 58-96-8); (M+H)+ME1976960.50NA1.211.29
VITAMIN B12 (CAS# 68-19-9); (M+2NA)+2ME1977030.74NA0.471.70
DEOXYCYTIDINE (CAS# 951-77-9); (2M+H)+ME1974731.38NA1.010.61
SERINE (CAS# 56-45-1); (M+H)+ME1976541.07NA0.980.96
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M+H)+ME1976930.74NA1.061.13
ADENINE (CAS# 73-24-5); (M+H)+ME1973891.02NA1.050.75
OPHTHALMIC ACID (CAS# 495-27-2); (M+H)+ME1976131.04NA0.931.03
5-OXOPROLINE (CAS# 4042-36-8); (M+NA)+ME1973811.14NA1.030.83
THIAMIN (CAS# 59-43-8); M+ME1976771.02NA1.090.82
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+[-H2O]ME1973691.25NA0.50NA
NICOTINATE (CAS# 59-67-6); (M+H)+ME1976011.18NA0.960.76
PICOLINIC ACID (CAS# 98-98-6); (M+H)+ME1976281.12NA0.920.86
3-METHYLHISTAMINE (CAS# 644-42-8); (M+H)+ME1973561.12NA0.960.92
CHOLESTEROL (CAS# 57-88-5); (M+H)+[-H2O]ME1974340.76NA0.861.38
CHOLINE (CAS# 62-49-7); M+ME1974351.01NA0.921.07
D-ORNITHINE (CAS# 348-66-3); (M+H)+ME1974651.13NA0.900.94
FRUCTOSE (CAS# 57-48-7); (M+NA)+ME1974880.90NA1.110.99
PANTOTHENATE (CAS# 79-83-4); (M+NA)+ME1976210.85NA0.861.30
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+H)+ME1973720.68NA1.031.21
SALICYLURIC ACID (CAS# 487-54-7); (M+NA)+ME1976500.81NANA1.06
MEVALONIC ACID (CAS# 674-26-0); (M+NA)+ME1975710.21NA0.961.42
GUANINE (CAS# 73-40-5); (M+H)+ME1975081.11NA0.910.97
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+H)+ME1976581.37NA1.030.60
CREATININE (CAS# 60-27-5); (M+H)+ME1974501.13NA0.75NA
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M+H)+ME1973781.27NA0.821.03
CITRAMALATE (CAS# 2306-22-1); (2M+NA)+ME1974401.35NA0.65NA
DUMP (CAS# 964-26-1); (M+H)+ME1974800.34NA0.292.61
THYMIDINE 5^-MONOPHOSPHATE (CAS# 365-07-1); (M+H)+ME197681NANA0.551.45
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M+NA)+ME1973520.66NA1.081.19
HOMOSERINE (CAS# 672-15-1); (M+NA)+ME1975170.98NA1.04NA
GLYCERALDEHYDE (CAS# 367-47-5); (2M+NA)+[-H2O]ME1975032.05NA0.600.10
INDOLE-3-ACETATE (CAS# 87-51-4); (M+NA)+ME1975260.70NA1.341.27
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M+NA)+ME1973670.95NA0.791.25
16:0-18:0 PC (CAS# 59403-51-9); (M+NA)+ME1973200.38NA1.910.71
THYROXINE (CAS# 51-48-9); (M+H)+ME1976821.19NA0.980.96
4-AMINOBENZOATE (CAS# 150-13-0); (M+H)+ME1973600.63NA1.311.25
5-AMINOPENTANOATE (CAS# 660-88-8); (M+H)+ME1973761.61NA0.710.67
TYROSINE (CAS# 60-18-4); (M+H)+ME1976911.08NA0.891.03
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M+NA)+ME1973850.63NA1.081.29
L-ARGININE-(GUANIDINEIMINO-15N2) [ISTD] (CAS# ); (M+H)+ME1975411.24NA0.76NA
CIS-ZEATIN (CAS# 1637-39-4); (M+H)+ME1974390.86NA0.991.15
METHYLMALONATE (CAS# 516-05-2); (M+NA)+ME1975700.77NA0.951.19
NORVALINE (CAS# 6600-40-4); (M+H)+ME1976081.15NA0.910.93
TYROSINE (CAS# 60-18-4); (M+NA)+ME1976920.90NA1.061.14
HIPPURATE (CAS# 495-69-2); (M+H)+ME1975120.75NA1.041.21
SARCOSINE (CAS# 107-97-1); (M+H)+ME1976510.98NA0.751.34
IBUPROFEN CARBOXYLIC ACID (CAS# 15935-54-3); (M+H)+[-H2O]ME1975210.83NA0.891.24
CMP (CAS# 63-37-6); (M+H)+ME1974431.65NANA0.35
D-LYXOSE (CAS# 1114-34-7); (M+NA)+ME197464NANA1.810.73
ADENOSINE (CAS# 58-61-7); (M+H)+ME1973900.92NA1.32NA
SEBACIC ACID (CAS# 111-20-6); (M+NA)+ME1976531.06NA1.060.88
25-HYDROXYCHOLESTEROL (CAS# 2140-46-7); (M+H)+[-H2O]ME1973381.18NA0.940.94
BETAINE (CAS# 107-43-7); (M+NA)+ME1974161.09NA1.060.84
4-PYRIDOXATE (CAS# 82-82-6); (M+NA)+ME1973701.17NA0.791.08
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M+NA)+ME1973301.20NA0.90NA
METHYL JASMONATE (CAS# 1211-29-6); (M+NA)+ME1975691.03NA1.030.94
SEBACIC ACID (CAS# 111-20-6); (M+H)+[-H2O]ME1976520.68NA1.011.31
18:0 LYSO-PE (CAS# 69747-55-3); (M+NA)+ME1973231.20NA1.130.71
GUANOSINE (CAS# 118-00-3); (M+H)+ME1975090.23NA1.550.98
ADIPIC ACID (CAS# 124-04-9 ); (M+NA)+ME1973950.66NA1.081.19
INDOLE-3-ACETALDEHYDE (CAS# 2591-98-2); (M+H)+ME1975240.58NA1.890.71
ELAIDIC ACID (CAS# 112-79-8); (M+NA)+ME1974821.69NA0.980.50
DGMP (CAS# 902-04-5); (M+H)+ME1974770.92NA1.180.91
THEOBROMINE (CAS# 83-67-0); (M+NA)+ME1976750.95NA1.051.02
6-HYDROXYDOPAMINE (CAS# 0); (2M+H)+[-H2O]ME1973860.45NA1.151.25
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+NA)+ME1973370.39NA1.161.44
(-)-COTININE (CAS# 486-56-6); (M+H)+ME1973050.81NA1.160.87
L-CARNITINE (CAS# 541-15-1); (M+H)+ME1975421.00NA0.901.09
N-METHYL-L-GLUTAMATE (CAS# 6753-62-4); (M+NA)+ME1975961.09NA0.91NA
PALATINOSE (CAS# 343336-76-5); (M+NA)+ME1976161.07NA0.871.05
PALMITOYLCARNITINE (CAS# 2364-67-2); (M+H)+ME1976170.72NA0.891.40
5-OXOPROLINE (CAS# 4042-36-8); (M+H)+ME1973801.14NA1.030.82
INOSINE (CAS# 58-63-9); (M+NA)+ME1975300.44NA1.261.51
HOMOGENTISATE (CAS# 451-13-8); (M+H)+ME1975150.72NA1.051.24
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M+NA)+ME1973280.77NA1.071.17
ASCORBATE (CAS# 50-81-7); (M+H)+[-H2O]ME1974060.56NA0.961.31
TRYPTOPHANAMIDE (CAS# 20696-57-5); (M+H)+ME1976900.80NA2.200.60
ALLANTOIN (CAS# 97-59-6); (M+NA)+ME1973991.19NA0.980.77
ALANINE (CAS# 56-41-7); (M+H)+ME1973971.43NA0.880.72
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M+H)+ME1975460.84NA0.991.17
LYSINE (CAS# 56-87-1); (M+H)+ME1975591.19NA0.920.91
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+H)+[-H2O]ME1973121.87NA1.030.29
LEUKOTRIENE B4 (CAS# 71160-24-2); (M+H)+[-H2O]ME1975540.39NA1.31NA
N-ACETYL-DL-SERINE (CAS# 97-14-3); (M+H)+[-H2O]ME1975830.95NA0.971.07
(-)-SALSOLINOL (CAS# 27740-96-1); (M+H)+ME1973061.03NA1.040.92
4-PYRIDOXATE (CAS# 82-82-6); (M+H)+ME1973680.97NA1.02NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+NA)+ME1974721.28NA0.211.51
PROGESTERONE (CAS# 57-83-0); (M+NA)+ME1976331.76NA0.181.06
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M+H)+ME197698NANA1.080.87
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M+H)+ME1973410.63NA1.201.13
GLUTAMINE (CAS# 56-85-9); (M+NA)+ME1974981.14NA0.960.91
VALINE (CAS# 72-18-4); (M+H)+ME1977011.16NA0.920.92
URIDINE (CAS# 58-96-8); (M+NA)+ME1976970.70NA1.031.28
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+NA)+ME1973130.80NA1.131.07
PINITOL (CAS# 10284-63-6); (M+NA)+ME1976291.19NA0.461.35
3-DEHYDROSHIKIMATE (CAS# 2922-42-1); (M+H)+[-H2O]ME1973430.78NA1.221.11
3-DEHYDROXYCARNITINE (CAS# 407-64-7); (M+H)+ME1973441.27NA0.780.78
1-AMINOCYCLOPROPANE-1-CARBOXYLATE (CAS# 22059-21-8); (M+H)+ME1973081.77NA0.480.24
ASPARAGINE (CAS# 70-47-3); (M+NA)+ME1974081.41NA0.851.02
GLUTARATE (CAS# 110-94-1); (M+NA)+ME1974991.03NA0.771.37
CORTICOSTERONE (CAS# 50-22-6); (M+NA)+ME1974451.18NA1.070.80
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M+H)+ME1973631.17NA0.641.15
N-ACETYL-DL-GLUTAMIC ACID (CAS# 5817-08-3); (M+NA)+ME1975791.04NA0.941.02
3-METHOXYTYROSINE (CAS# 4214-13-5); (M+H)+ME1973500.98NA0.691.18
NORLEUCINE (CAS# 327-57-1); (M+H)+ME1976060.85NA1.021.12
PANTOTHENATE (CAS# 79-83-4); (M+H)+ME1976200.84NA0.911.25
PHENYLACETIC ACID (CAS# 103-82-2); (M+H)+ME1976240.75NA1.241.52
LAUROYLCARNITINE (CAS# 25518-54-1); (M+H)+ME1975490.61NA0.961.43
PIPECOLATE (CAS# 535-75-1); (M+NA)+ME1976310.77NA0.691.54
HOMOVANILLATE (CAS# 306-08-1); (M+NA)+ME1975180.61NA1.221.13
LYSINE (CAS# 56-87-1); (M+NA)+ME1975601.11NA1.000.88
SEROTONIN (CAS# 50-67-9); (M+NA)+ME1976560.87NA1.160.82
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+ME1975800.94NA0.751.26
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M+H)+[-H2O]ME1975811.06NA1.000.96
TAURINE (CAS# 107-35-7); (M+NA)+ME1976681.02NA0.701.20
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M+NA)+ME1975730.66NA1.081.20
CORTICOSTERONE (CAS# 50-22-6); (M+H)+ME1974441.23NA0.89NA
TRANS-ACONITATE (CAS# 4023-65-8); (M+NA)+ME1976841.23NA0.731.18
CYTIDINE (CAS# 65-46-3); (2M+H)+ME1974581.00NA0.971.03
ISOLEUCINE (CAS# 73-32-5); (M+NA)+ME1975320.68NA0.841.44
11-DEOXYCORTISOL (CAS# 152-58-9); (M+H)+ME1973160.93NA1.05NA
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M+NA)+ME1975901.04NA0.931.03
BENZOATE (CAS# 65-85-0); (M+H)+ME1974110.81NA1.111.07
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M+H)+ME1975340.77NA1.021.26
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M+NA)+ME1973550.62NA1.031.35
METHIONINE (CAS# 63-68-3); (M+H)+ME1975661.05NA0.941.01
CELLOBIOSE (CAS# 528-50-7); (M+NA)+ME1974291.06NA0.940.98
XANTHURENIC ACID (CAS# 59-00-7); (M+H)+ME1977070.88NA1.021.13
NICOTINAMIDE (CAS# 98-92-0); (M+H)+ME1976000.77NA1.181.05
KYNURENINE (CAS# 343-65-7); (M+NA)+ME1975371.16NA0.920.99
BETAINE (CAS# 107-43-7); (M+H)+ME1974151.60NA0.720.68
ANTHRANILATE (CAS# 118-92-3); (M+H)+ME197404NANA1.080.88
L-ALLOTHREONINE (CAS# 28954-12-3); (M+H)+[-H2O]ME1975391.53NA0.671.44
CYTOSINE (CAS# 71-30-7); (M+H)+ME1974602.28NA0.820.72
THREONINE (CAS# 72-19-5); (M+H)+[-H2O]ME1976781.49NA0.400.85
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M+NA)+ME1973330.66NA1.081.20
BILIRUBIN (CAS# 635-65-4); (M+H)+[-H2O]ME1974170.11NA1.30NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+NA)+ME1973171.18NA1.070.80
LAUROYLCARNITINE (CAS# 25518-54-1); (M+NA)+ME197550NANA0.831.34
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+NA)+ME1975671.19NA0.461.35
DEHYDROASCORBATE (CAS# 490-83-5); (M+H)+[-H2O]ME1974691.00NA1.00NA
ISOLEUCINE (CAS# 73-32-5); (M+H)+ME1975310.76NA1.071.17
GLYCOCHOLATE (CAS# 475-31-0); (M+NA)+ME1975060.17NANA1.83
TRIMETHYLAMINE (CAS# 75-50-3); (M+H)+ME1976871.42NANA0.58
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+NA)+ME1974611.00NA1.390.51
TAUROCHOLATE (CAS# 81-24-3); (M+NA)+ME1976721.80NA0.20NA
DEOXYURIDINE (CAS# 951-78-0); (M+NA)+ME1974761.22NA0.751.03
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+NA)+ME1974911.64NA0.790.56
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+NA)+ME1975891.03NA0.721.25
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+NA)+ME1974031.64NA0.790.56
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M+NA)+ME1975850.95NA1.060.98
LEUCINE (CAS# 328-39-2); (M+NA)+ME1975520.64NA0.951.40
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M+H)+ME1975880.96NA0.911.13

Factors:

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