Data for ST000693   

(Analysis AN001071): Average values per metabolite and experimental factor (Units:Peak area)

Metabolite structureAll dataF1F2F3
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-
2962.71 4775.50
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-
43163.30 70722.89
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-
5999.00 2059.25
16:0-18:0 PC (CAS# 59403-51-9); (M+HCOO)-
32537.30 17003.56
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-
1259323.80 896928.89
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-
105817.80 49655.56
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-
6041.33 5859.00
1-OLEOYL-RAC-GLYCEROL (CAS# 111-03-5); (M+HCOO)-
7329.70 5584.33
20:0 LYSO PC (CAS# 108341-80-6); (M+CL)-
4971.67 2889.20
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-
6991.25 8964.00
24:0 SM (D18:1/24:0) (CAS# 60037-60-7); (M+HCOO)-
81781.60 23290.11
2-AMINOETHYL DIHYDROGEN PHOSPHATE (CAS# 1071-23-4 ); (M-H)-
2855.33 2491.50
2^-DEOXYCYTIDINE 5^-MONOPHOSPHATE (CAS# 1032-65-1); (2M-H)-
- 3959.50
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-
43046.00 -
2^-DEOXYINOSINE (CAS# 890-38-0); (M-H)-
- 10339.00
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-
239135.60 81033.33
2-HYDROXYBUTYRATE (CAS# ); (M-H)-
53969.60 32712.00
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-
22520.78 40178.67
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-
42886.43 24948.40
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-
3932.33 4445.00
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-
232779.40 154874.89
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-...
2186.00 5214.00
3BETA-HYDROXYANDROST-5-EN-17-ONE 3-SULFATE (CAS# ); (M-H)-
- 1219.00
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-
49907.90 116461.44
3-HYDROXYKYNURENINE (CAS# 2147-61-7); (M-H)-
21615.67 29797.20
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-
3610.00 -
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-
26932.50 27934.67
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-
24801.44 40432.22
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-
13287.60 10531.44
3-UREIDOPROPIONIC ACID (CAS# 462-88-4); (M-H)-
25218.00 17684.00
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-
2076.00 -
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-
15824.89 27826.56
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-
15959.56 27826.56
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-
25472.90 32221.00
4-NITROPHENOL (CAS# 100-02-7); (M-H)-
15939.80 14241.56
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-
190525.20 282565.11
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-
307199.50 384363.71
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-
11410.33 23537.00
5-HYDROXYINDOLEACETATE (CAS# 54-16-0); (M-H)-
30732.00 -
5-METHYLTETRAHYDROFOLATE (CAS# 134-35-0); (M-H)-
1205.00 4048.20
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-
23903.40 21525.00
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-
151600.70 134824.89
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-
1165533.90 1395198.44
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-
14408.83 18496.00
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-
13287.60 10531.44
7-AMINOCEPHALOSPORANIC ACID (CAS# 957-68-6); (M-H)-
- 3600.00
ACETOACETATE (CAS# 541-50-4); (M-H)-
6872.44 8800.71
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (2M-H)+
11681.14 10295.50
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-
617396.00 421760.11
ADENOSINE 5^-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)-
1201.00 -
ADENOSINE (CAS# 58-61-7); (M+HCOO)-
407963.60 256472.56
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-
24801.44 40432.22
ADP-RIBOSE (CAS# ); (M-H)-
9171.40 4086.67
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]
51040.60 114509.44
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)-
154023.00 143573.33
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)-
53969.60 32712.00
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-
50979.20 54002.56
ARABITOL (CAS# 7643-75-6); (M+CL)-
4472.50 6113.00
ARABITOL (CAS# 7643-75-6); (M+HCOO)-
- 1227.00
ARACHIDONATE (CAS# 506-32-1); (M-H)-
1323182.40 1449005.56
ASPARAGINE (CAS# 70-47-3); (M-H)-
25218.00 17684.00
ASPARTATE (CAS# 56-84-8); (M-H)-
4106.50 3379.20
AZELAIC ACID (CAS# 123-99-9); (M-H)-
182543.80 129748.11
BETA-ALANINE (CAS# 107-95-9); (M-H)-
6087.00 -
BETA-ALANYL-N(PAI)-METHYL-L-HISTIDINE (CAS# 584-85-0); (M-H)...
2014.00 -
BETA-MALTOSE (CAS# 69-79-4); (2M+CL)-[-H2O]
1157282.80 1467518.33
BETA-MALTOSE (CAS# 69-79-4); (2M-H)-[-H2O]
170800.50 188781.25
BETA-MALTOSE (CAS# 69-79-4); (M+CL)-
5120066.00 7893907.17
BETA-MALTOSE (CAS# 69-79-4); (M+HCOO)-
92721.00 109268.33
BIOTIN (CAS# 58-85-5); (2M-H)-
- 1950.00
BIOTIN (CAS# 58-85-5); (M-H)-
2202.00 -
BIS-GAMMA-GLUTAMYLCYSTINE (CAS# 23052-19-9); (M-H)-
19632.00 8470.00
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)...
2206.50 -
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3)...
2874.00 2600.50
CAPRYLIC ACID (CAS# 124-07-2); (M-H)-
6368.00 1662.00
CATECHOL (CAS# 120-80-9); (M-H)-
- 1297.00
CELLOBIOSE (CAS# 528-50-7); (M+CL)-
5119523.50 7893907.17
CHOLATE (CAS# 81-25-4); (2M-H)-
113943.33 7650.00
CHOLATE (CAS# 81-25-4); (M+CL)-
12365.40 4821.67
CHOLATE (CAS# 81-25-4); (M-H)-
422427.90 147000.67
CHOLESTEROL HYDROGEN SULFATE (CAS# 1256-86-6); (M-H)-
- 6725.50
CHOLINE PHOSPHATE (CAS# 107-73-3); (M+HCOO)-
1928.00 2696.00
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-
12204.25 3844.12
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-
242816.80 219976.89
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-
242659.50 219950.11
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-
4619745.70 4176963.67
CITRAMALATE (CAS# 2306-22-1); (M-H)-
23772.50 84701.50
CITRATE (CAS# 77-92-9); (M-H)-
219932.80 168853.00
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-
2714.43 4776.67
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-
43258.10 70905.78
CORTISONE (CAS# 53-06-5); (M+HCOO)-
- 12937.00
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-
182544.60 129957.78
CYSTATHIONINE (CAS# 56-88-2); (M-H)-
42053.67 58671.00
CYSTINE (CAS# 56-89-3); (M-H)-
2433.75 1959.00
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (2M-H)-
2568.60 2166.20
CYTIDINE 5^-DIPHOSPHOCHOLINE (CAS# 987-78-0); (M+CL)-
- 1063.00
CYTIDINE (CAS# 65-46-3); (M-H)-
83540.75 24996.00
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-
84343.00 -
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-
60259.50 58878.00
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-
324542.00 -
DEHYDROASCORBATE (CAS# 490-83-5); (M+HCOO)-
26587.78 21110.83
DEOXYADENOSINE (CAS# 16373-93-6); (M-H)-
- 1311.00
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-
43134.50 24852.33
DEOXYCYTIDINE (CAS# 951-77-9); (M-H)-
- 1462.50
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-
92066.44 105601.40
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-
4825.00 -
DEOXYURIDINE (CAS# 951-78-0); (M-H)-
19095.40 13626.50
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-
12000.40 14170.00
DEPHOSPHO-COA (CAS# 3633-59-8); (M-H)-
6208.40 9589.14
D-GALACTOSAMINE (CAS# 7535-00-4); (M+CL)-
- 39536.00
D-GLUCOSAMINE (CAS# 3416-24-8); (M+CL)-
- 39536.00
D-GLUCOSAMINE (CAS# 3416-24-8); (M-H)-
- 1360.00
D-GLUCOSE 6-PHOSPHATE (CAS# 56-73-5); (M-H)-
154023.00 143573.33
DGMP (CAS# 902-04-5); (M-H)-
440384.00 142713.89
DIACETYL (CAS# 431-03-8); (M+HCOO)-
126690.00 88232.56
DIHYDROXYMANDELIC ACID (CAS# 775-01-9); (M-H)-
1106.00 -
D-LYXOSE (CAS# 1114-34-7); (M+CL)-
14384.50 36073.00
D-LYXOSE (CAS# 1114-34-7); (M-H)-
2504.50 3859.00
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-
807021.80 1126911.00
D-ORNITHINE (CAS# 348-66-3); (M-H)-
2027.00 4637.50
D-PSICOSE (CAS# 551-68-8); (M+CL)-
5064221.67 4203965.50
D-TAGATOSE (CAS# 87-81-0); (M+CL)-
5064221.67 4203965.50
EDTA (CAS# 60-00-4); (M-H)-
22699.50 77944.25
ELAIDIC ACID (CAS# 112-79-8); (M-H)-
243023.40 219976.89
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-
257257.30 199463.89
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-
7526472.00 5887106.33
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-
2694.00 2502.50
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-
48792.80 89327.22
FRUCTOSE (CAS# 57-48-7); (M+CL)-
5064221.67 4203965.50
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-
68162.83 61284.88
FUMARATE (CAS# 110-17-8); (2M-H)-
4352.00 2366.00
FUMARATE (CAS# 110-17-8); (M-H)-
27673.00 52364.14
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-
1329.00 1278.00
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-
124635.40 88232.56
GAMMA-L-GLUTAMYL-L-CYSTEINE (CAS# 686-58-8); (M-H)-
38168.56 39112.29
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-
51003.10 53829.67
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-
15844.90 10617.00
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-
12663.80 10454.11
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-
670998.00 539958.33
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]
249452.50 229180.57
GLUCONIC ACID (CAS# 526-95-4); (M-H)-
84343.00 502795.00
GLUCOSE 1-PHOSPHATE (CAS# 59-56-3); (M-H)-
154023.00 143573.33
GLUCOSE (CAS# 50-99-7); (M+CL)-
5064221.67 4203965.50
GLUCURONIC ACID (CAS# 6556-12-3); (M+CL)-
1747.00 -
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-
1329.00 1278.00
GLUTAMINE (CAS# 56-85-9); (M-H)-
181375.80 127836.50
GLUTARATE (CAS# 110-94-1); (M-H)-
124635.40 88232.56
GLUTATHIONE (CAS# 27025-41-8); (M-H)-
1877709.90 1676715.00
GLYCERALDEHYDE 3-PHOSPHATE DIETHYL ACETAL (CAS# 93965-35-6);...
1491.00 3199.00
GLYCERALDEHYDE (CAS# 367-47-5); (2M-H)-[-H2O]
48219.00 109624.78
GLYCEROL 2-PHOSPHATE (CAS# ); (M-H)-
118493.75 125148.71
GLYCINE (CAS# 56-40-6); (M-H)-
4722.50 4005.67
GLYCOCHOLATE (CAS# 475-31-0); (M-H)-
18348.11 52965.11
GUANINE (CAS# 73-40-5); (M-H)-
1820.00 -
GUANOSINE 5^-PHOSPHATE (CAS# 85-32-5); (M-H)-
15901.00 -
GUANOSINE (CAS# 118-00-3); (M+CL)-
1502.00 16184.00
GUANOSINE (CAS# 118-00-3); (M-H)-
141481.00 272870.75
HEPTADECANOATE (CAS# 506-12-7); (M-H)-
2255.67 2115.33
HOMOVANILLATE (CAS# 306-08-1); (M-H)-
5475.38 4019.00
HYODEOXYCHOLATE (CAS# 83-49-8); (M-H)-
327880.10 333810.56
HYPOTAURINE (CAS# 300-84-5); (M-H)-
4633.33 -
HYPOXANTHINE (CAS# 68-94-0); (M-H)-
2082689.33 3021113.44
INDICAN (CAS# 487-60-5); (2M+CL)-[-H2O]
- 52322.00
INOSINE (CAS# 58-63-9); (M+CL)-
822401.20 841093.11
INOSINE (CAS# 58-63-9); (M-H)-
16930000.00 22588888.89
ISOCITRATE (CAS# 320-77-4); (M-H)-
188404.83 222452.40
ISOLEUCINE (CAS# 73-32-5); (M-H)-
849390.70 750240.00
ITACONATE (CAS# 97-65-4); (M-H)-
6393.50 3369.75
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (2M-H)-
30731.40 17002.44
JASMONIC ACID [ISTD] (CAS# 77026-92-7); (M-H)-
2189996.90 1736111.56
L-[15N]ANTHRANILIC ACID [ISTD] (CAS# ); (M-H)-
194368.33 155597.62
LACTOSE (CAS# 63-42-3); (M+CL)-
5120066.00 7896450.50
LACTOSE (CAS# 63-42-3); (M-H)-
104945.60 188798.33
LANTHIONINE (CAS# 3183-08-2); (M-H)-
22554.40 23703.67
L-ARGININE (CAS# 74-79-3); (M-H)-
1756.00 -
LEUCINE (CAS# 328-39-2); (M-H)-
849513.90 750285.00
LEUKOTRIENE B4 (CAS# 71160-24-2); (M-H)-
4419.50 5346.40
L-GULONATE (CAS# 6322-07-2); (M-H)+[-H2O]
1660.33 3040.50
L-HISTIDINE (CAS# 71-00-1); (M-H)-
116639.00 116057.44
LINOLEATE (CAS# 60-33-3); (M-H)-
270466.60 388711.78
L-METHIONINE SULFOXIMINE (CAS# 15985-39-4); (M-H)-
- 174103.50
L-ORNITHINE (CAS# 70-26-8); (M-H)-
2027.00 4637.50
L-RHAMNOSE (CAS# 10030-85-0); (M+CL)-
43046.00 -
L-RHAMNOSE (CAS# 10030-85-0); (M-H)-
2020.00 2583.25
L-TRYPTOPHAN-15N2 [ISTD] (CAS# ); (M-H)-
124796.80 102745.67
LUMICHROME (CAS# 1086-80-2); (M-H)-
7380.20 7345.50
LYSINE (CAS# 56-87-1); (M-H)-
5200.40 10563.78
MALATE (CAS# 97-67-6); (M-H)-
247406.88 532362.14
MALATE (CAS# 97-67-6); (M-H)+[-H2O]
89822.88 165523.57
MALEAMATE (CAS# 557-24-4); (M-H)-
21616.50 12518.60
MALEIC ACID (CAS# 110-16-7); (M-H)-
30033.80 52364.14
MALONATE (CAS# 141-82-2); (M-H)-
22254.50 27641.00
MALONIC ACID-D4 (CAS# 813-56-9); (M-H)-
22254.50 26755.67
MALTOSE (CAS# 69-79-4); (M+CL)-
5120066.00 7896450.50
MALTOSE (CAS# 69-79-4); (M+HCOO)-
92721.00 109268.33
MANDELIC ACID (CAS# 611-71-2); (M-H)-
2845.20 3274.17
MANNOSE-6-PHOSPHATE (CAS# 3672-15-9); (M-H)-
154023.00 143573.33
MELIBIOSE (CAS# 585-99-9); (M+CL)-
5120066.00 7896450.50
MELIBIOSE (CAS# 585-99-9); (M+HCOO)-
92721.00 109268.33
METHIONINE (CAS# 63-68-3); (M-H)-
119087.00 206288.83
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+CL)-
24346.33 16681.00
METHYL BETA-D-GALACTOSIDE (CAS# 1824-94-8); (M+HCOO)-
5078.00 1282.00
METHYLMALONATE (CAS# 516-05-2); (M-H)-
6416294.20 4589783.22
MONO-METHYL GLUTARATE (CAS# 1501-27-5); (M-H)-
24979.22 40481.44
MYRISTIC ACID (CAS# 544-63-8); (M-H)-
13600.20 13164.11
MYRISTOLEIC ACID (CAS# 544-64-9); (M-H)-
1971.60 3185.83
N-ACETYL-DL-METHIONINE (CAS# 1115-47-5); (M-H)-
316594.60 270201.78
N-ACETYL-D-TRYPTOPHAN (CAS# 2280-01-5); (M-H)-
13118.50 6434.33
N-ACETYL-L-ALANINE (CAS# 97-69-8); (M-H)-
316583.75 572543.67
N-ACETYL-L-ASPARTIC ACID (CAS# 997-55-7); (M-H)-
13829.00 27431.00
N-ACETYL-L-CYSTEINE (CAS# 616-91-1); (M-H)-
- 2449.00
N-ACETYL-L-LEUCINE (CAS# 1188-21-2); (M-H)-
232983.30 92206.22
N-ACETYL-L-PHENYLALANINE (CAS# 2018-61-3); (M-H)-
68092.20 31715.22
N-ACETYLNEURAMINATE (CAS# 131-48-6); (M-H)-
14595.50 40806.50
NAD (CAS# 53-84-9); (M-H)-
5215.75 1749.00
N-AMIDINO-L-ASPARTATE (CAS# 6133-30-8); (M+CL)-
2245.00 -
NERVONIC ACID (CAS# 506-37-6); (M-H)-
1089.00 -
NICOTINAMIDE HYPOXANTHINE DINUCLEOTIDE (CAS# 22052-73-9); (M...
4559.00 -
NICOTINATE (CAS# 59-67-6); (M-H)-
119246.50 135771.86
N-NITROSODIETHANOLAMINE (CAS# 1116-54-7); (M+CL)-
3447.00 -
N-OLEOYLGLYCINE (CAS# 2601-90-3); (2M-H)-
1008.00 -
N-OLEOYLGLYCINE (CAS# 2601-90-3); (M-H)-
3775.89 3866.88
NORLEUCINE (CAS# 327-57-1); (M-H)-
849518.60 750553.00
OLEIC ACID (CAS# 112-80-1); (M-H)-
243362.20 220149.78
OPHTHALMIC ACID (CAS# 495-27-2); (M-H)-
300109.00 -
OROTATE (CAS# 65-86-1); (M-H)-
25934.75 -
O-SUCCINYL-L-HOMOSERINE (CAS# 1492-23-5); (M-H)-
- 5911.00
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-2H)-2
- 11138.00
OXIDIZED GLUTATHIONE (CAS# 27025-41-8); (M-H)-
1877446.60 1676616.78
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (2M...
- 1302.00
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (CAS# 120595-80-4); (M-...
- 1130.00
PALATINOSE (CAS# 343336-76-5); (M+CL)-
5120066.00 7893907.17
PALATINOSE (CAS# 343336-76-5); (M+HCOO)-
92721.00 109268.33
PALMITATE (CAS# 57-10-3); (M-H)-
64747.80 72228.56
PALMITOLEIC ACID (CAS# 373-49-9); (M-H)-
94504.90 111525.44
PANTOTHENATE (CAS# 79-83-4); (M+CL)-
11341.83 15479.00
PANTOTHENATE (CAS# 79-83-4); (M-H)-
1066061.30 1757526.56
PARAXANTHINE (CAS# 611-59-6); (M-H)-
26720.20 9878.33
PENTANOATE (CAS# 109-52-4); (M+HCOO)-
8571.00 8833.00
PHENYL ACETATE (CAS# 122-79-2); (M-H)-
18823.67 14172.25
PHENYL ACETATE (CAS# 122-79-2); (M+HCOO)-
232779.40 154874.89
PHENYLACETIC ACID (CAS# 103-82-2); (M+HCOO)-
3842.00 4019.00
PHENYLALANINE (CAS# 63-91-2); (M-H)-
1571761.70 2138808.11
PHENYLPYRUVATE (CAS# 156-06-9); (M-H)-
- 1045.00
PHOSPHOCREATINE (CAS# 67-07-2); (M-H)-
1720.00 1297.67
PICOLINIC ACID (CAS# 98-98-6); (M-H)-
102482.88 154260.17
PINITOL (CAS# 10284-63-6); (M+CL)-
24331.00 16380.20
PROPENOATE (CAS# 79-10-7); (M-H)-
12348.00 15834.00
PROSTAGLANDIN E2 (CAS# 363-24-6); (M+CL)-
5049.00 1462.00
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-
9150.56 8669.60
PROSTAGLANDIN E2 (CAS# 363-24-6); (M-H)-[-H2O]
3638.00 2721.50
PTERIN (CAS# 2236-60-4); (M-H)-
- 3021.00
PURINE (CAS# 120-73-0); (M-H)-
5178.00 -
PYRIDOXAL PHOSPHATE (CAS# 853645-22-4); (2M-H)+
- 2492.00
PYRUVATE (CAS# 127-17-3); (M-H)-
9588.80 15585.00
RAFFINOSE (CAS# 512-69-6); (M+CL)-
3873885.20 5191301.56
RAFFINOSE (CAS# 512-69-6); (M+HCOO)-
109438.00 213478.00
RESORCINOL MONOACETATE (CAS# 102-29-4); (M-H)-
3610.00 -
RETINOATE (CAS# 302-79-4); (M-H)-
18687.12 20519.50
RIBITOL (CAS# 488-81-3); (M+CL)-
4472.50 6113.00
RIBOFLAVIN (CAS# 83-88-5); (M+CL)-
1110.00 3007.00
RIBOFLAVIN (CAS# 83-88-5); (M-H)-
8197.70 16907.44
RIBOFLAVIN (CAS# 83-88-5); (M+HCOO)-
9175.10 17943.22
RIBOSE (CAS# 50-69-1); (M+CL)-
13538.50 33811.00
(S)-2-AMINO-3-(3-HYDOXY-4-OXO-4H-PYRIDIN-1-YL)PROPANOATE OR ...
8040.00 3210.00
(S)-3-METHYL-2-OXOPENTANOATE (CAS# 1460-34-0); (M-H)-
8068.67 14555.00
S-ADENOSYL-L-HOMOCYSTEINE (CAS# 979-92-0); (M-H)-
117738.43 149867.11
SALICYLATE (CAS# 69-72-7); (M-H)-
15214.50 36778.50
(S)-DIHYDROOROTATE (CAS# 5988-19-2); (M-H)-
30135.80 -
SEBACIC ACID (CAS# 111-20-6); (M-H)-
11151.90 9297.22
SERINE (CAS# 56-45-1); (M-H)-
5206.67 5926.56
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+CL)-
116605.00 105489.00
SN-GLYCERO-3-PHOSPHOCHOLINE (CAS# 28319-77-9); (M+HCOO)-
- 1697.00
STACHYOSE (CAS# 54261-98-2); (M+CL)-
1157571.60 1467518.33
STACHYOSE (CAS# 54261-98-2); (M-H)-
125965.60 122490.11
STACHYOSE (CAS# 54261-98-2); (M+HCOO)-
34340.40 43813.29
STEARATE (CAS# 57-11-4); (M-H)-
43203.70 35138.33
SUBERIC ACID (CAS# 505-48-6); (M-H)-
47999.22 39237.14
SUCCINATE (CAS# 110-15-6); (M-H)-
6425971.10 4585946.56
SUCROSE (CAS# 57-50-1); (M+CL)-
5120066.00 7893907.17
SUCROSE (CAS# 57-50-1); (M+HCOO)-
92721.00 109268.33
TAURINE (CAS# 107-35-7); (M-H)-
1485912.43 1902948.75
TAUROLITHOCHOLATE (CAS# 516-90-5); (M-H)-
49410.75 54339.44
THEOPHYLLINE (CAS# 58-55-9); (M-H)-
13855.75 11438.50
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-
4837.00 20346.00
THROMBOXANE B2 (CAS# 54397-85-2); (M-H)-[-H2O]
9150.56 8669.60
THYMIDINE (CAS# 50-89-5); (M+CL)-
11209.00 -
THYMIDINE (CAS# 50-89-5); (M-H)-
13080.56 11176.67
THYMIDINE (CAS# 50-89-5); (M+HCOO)-
21835.83 13374.57
TRANS-ACONITATE (CAS# 4023-65-8); (M-H)-
324542.00 -
TRANS-VACCENIC ACID (CAS# 693-72-1); (M-H)-
243362.20 220149.78
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-
25863.67 45326.33
TRICARBALLYLIC ACID (CAS# 99-14-9); (M-H)-[-H2O]
83326.71 72290.20
TRYPTOPHAN (CAS# 73-22-3); (M-H)-
536514.33 639671.67
TYROSINE (CAS# 60-18-4); (M-H)-
363919.50 456187.62
UDP-GALACTOSE (CAS# 2956-16-3); (M-H)-
22892.25 41568.00
UDP-N-ACETYL-D-GLUCOSAMINE (CAS# 528-04-1); (M-H)-
191048.50 139582.00
URACIL 5-CARBOXYLATE (CAS# 23945-44-0); (M-H)-
24861.50 -
URACIL (CAS# 66-22-8); (M-H)-
118109.00 143761.00
URATE (CAS# 69-93-2); (M-H)-
962437.60 574771.11
URIDINE-5-MONOPHOSPHATE (CAS# 58-97-9); (M-H)-
226807.60 210270.00
URIDINE (CAS# 58-96-8); (M+CL)-
1901577.50 1823218.78
URIDINE (CAS# 58-96-8); (M-H)-
3167579.50 4422534.56
URIDINE (CAS# 58-96-8); (M+HCOO)-
1336244.83 1298406.71
UROCANATE (CAS# 104-98-3); (M-H)-
61032.86 39712.43
URSODIOL (CAS# 128-13-2); (M-H)-
35808.00 24349.00
URSODIOL (CAS# 128-13-2); (M+HCOO)-
1442.67 4009.50
VALINE (CAS# 72-18-4); (M-H)-
307050.20 414399.57
XANTHINE (CAS# 69-89-6); (M-H)-
5030075.00 9659976.56
XANTHOSINE (CAS# 146-80-5); (M-H)-
603664.30 983690.78
XANTHURENIC ACID (CAS# 59-00-7); (M-H)-
2528.00 1617.50
XYLOSE (CAS# 58-86-6); (M+HCOO)-
84343.00 -
ZEATIN [ISTD] (CAS# 13114-27-7); (M+CL)-
242659.50 219601.11
ZEATIN [ISTD] (CAS# 13114-27-7); (M-H)-
4620622.80 4170149.67

Factors:

F1DIET:-
F2DIET:HFWD
F3DIET:HFWD + La/Ca
  logo