Standard Run:

Method
Rutgers QE PLUS HILIC
Date
Operator
Xiaoyang Su
mzXML File
None
Compound Retetion Time
Hydroxy-methoxycinnamic acid 2.23
Tryptophol 1.22
Phenylacetylglycine 2.21
Tryptamine 2.18
Serotonin 3.02
Kynurenine 3.53
Deoxyinosine 2.86
Xanthosine 4.79
Cyclic AMP 4.34
3-Phenylbutyric acid 1.91
2-Phenylbutyric acid 1.92
3 4-Dimethoxyphenylacetic acid 2.23
Xanthosine-5-phosphate 11.48
Deoxyadenosine 2.0
Adenosine 2.6
Deoxyguanosine 3.37
Thymidine 1.95
Ribothymidine 2.36
dAMP 9.51
dGMP 9.83
AMP 9.73
GMP 10.85
ADP 11.12
dGDP 12.04
Biotin 3.99
Homocarnosine 9.52
Anserine 9.11
ATP 12.83
GTP 13.82
dTTP 12.33
Glutathione 9.13
L-arginino-succinate 11.11
N-octanoylglycine 1.91
Spermine 1.32
Quinaldic acid 2.22
Kynurenic acid 2.35
Xanturenic acid 3.46
Hydroxyindoleacetic acid 2.81
Indolelactic acid 2.01
Tryptophan 3.3
5-Hydroxytryptophan 4.55
1-(4-Hydroxyphenyl)piperidin-2-one 1.75
Acetyl-Phenylalanine 2.15
N-Acetyltyrosine 2.87
5-Methoxytryptamine 2.18
5-Phenylvaleric acid 1.9
Nicotinamide ribotide 10.82
5- Methylthioadenosine 1.9
1-Methyladenosine 2.23
Undecanoic acid 1.9
Indoleacrylic acid 1.98
N-acetylserotonin 1.77
5-Methoxytryptophan 3.2
3 4 5-Trimethoxycinnamic acid 1.91
Thiamine 6.18
Thiamine pyrophosphate 13.19
Pirbuterol 4.78
Cellobiose 8.56
Lactose 8.88
Sucrose 7.65
D-Melibiose 9.24
Trehalose-6-phosphate 12.18
Melatonin 1.23
Aspartyl-Phenylalanine 6.93
Tridecanoic acid 1.24
S-adenosyl-L-homocysteine 7.81
CDP-choline 10.29
Triiodothyronine (Liothyronine) 1.91
3 5-Diiodothyronine 1.91
cADP-Ribose 9.86
S-adenosyl-L-methionine 10.4
UDP-D-Glucose 10.34
ADP-D-Glucose 9.96
UDP-N-acetyl-glucosamine 9.92
Stearic acid 1.2
Folate 9.96
Androstenedione 1.19
5-Methyl THF 9.42
Glutathione disulfide 12.71
NAD+ 10.01
NADP+ 12.64
NADH 9.15
NADPH 11.53
11a-Hydroxyprogesterone 1.14
Tetrahydrocortisone 1.27
Coenzyme A 9.82
D-Pantethine 1.98
Acetyl CoA 9.58
Malonyl-CoA 11.12
Propionyl CoA 9.23
Deoxycholic acid 1.91
Cholic acid 2.4
Succinyl-CoA 11.02
Butyryl CoA 8.9
3-Hydroxybutyryl CoA 9.86
Deoxycholylglycine 1.93
FAD 8.98
Cholesteryl sulfate 1.1
Glycine 7.4
Methylguanidine 4.85
Taurine 4.62
Hematoporphyrin 2.54
Pyruvate 2.53
Malonic acid 9.01
Lactate 3.86
Glycerate 4.69
Beta-alanine 6.93
Alanine 6.93
Sarcosine 6.69
Cysteine 6.35
Serine 7.82
Dihydroxyacetone phosphate 9.92
D-Glyceraldehyde-3-phosphate 10.39
2-Amino-3-phosphonopropionic acid 10.73
2 3-Bisphosphoglycerate 13.9
Trimethylamine oxide 6.42
DL-a-Glycerophosphate 9.85
Creatine Phosphate 10.23
Diethylthiophosphate 1.63
Uracil 2.05
Maleic acid 6.57
Fumarate 8.21
Oxaloacetate 8.29
2 4-Diamino-6-hydroxypyrimidine 3.11
Succinic acid semialdehyde 3.84
2-Oxobutanoate 2.16
Methylmalonic acid 8.7
Succinate 8.77
Diglycolic acid 9.83
Malate 9.3
Tartaric acid 9.56
Creatinine 2.73
Acetyl glycine 4.59
Aspartate 9.11
Gly-Gly 7.49
Asparagine 7.88
3-Ureidopropionic acid 6.42
Allantoate 7.75
Butyric acid 2.8
3-Hydroxybutyric acid 3.92
2-Hydroxybutyric acid 3.13
Threonic acid 6.91
Creatine 6.89
gamma-amino butyrate 7.82
4-Aminobutyrate 7.91
Dimethylglycine 5.88
D-2-Aminobutyric acid 6.38
Homocysteine 4.58
Homoserine 7.33
Threonine 7.1
Homocysteic acid 8.56
D-erythrose-4-phosphate 10.49
Glutamine 7.74
2-Hydroxy-3-methylbutyric acid 2.6
Lyxose 3.88
DL-Arabinose 4.34
D-Xylose 4.15
4-Guanidinobutanoic acid 7.08
Betaine aldehyde 5.8
Valine 5.46
Betaine 4.77
Methionine 4.3
Methionine sulfoxide 7.58
Deoxyribose phosphate 9.73
Ribose phosphate 10.1
Ornithine 11.58
Ribitol 4.43
D-Arabitol 4.54
Phosphocholine 11.19
Purine 2.47
Hypoxanthine 2.72
Xanthine 4.1
Uric acid 6.57
3-Furoic acid 2.33
Adenine 2.5
Guanine 3.36
2-hydroxy pyridine 1.98
Imidozoleacetic acid 6.26
5-Hydroxymethyluracil 2.68
Itaconic acid 8.37
Glutaconic acid 2.86
a-ketoglutarate 7.99
5-Methylcytosine 2.8
FAPy-adenine 2.99
Pyroglutamate 4.59
N-carbomoyl-L-aspartate 9.6
Methylcrotonic acid 2.41
Levulinic Acid 3.31
2-Ketoisovalerate 1.94
Dimethylmalonic acid 7.97
Glutaric acid 8.77
Methylsuccinic acid 8.57
Ethylmalonic acid 8.02
2-Hydroxyglutarate 8.99
Ribonolactone 2.05
Citramalic acid 8.89
Histamine 6.82
Guanidinosuccinic acid 9.17
Proline 6.15
Hydroxyproline 6.89
N-Acetyl-L-alanine 4.06
o-acetyl-L-serine 4.61
N-Methyl-D-aspartic acid 8.31
Glutamate 9.01
2-Methyl-3-ketovaleric acid 1.91
Methyloxovaleric acid (Ketoleucine) 1.91
3-Methyl-2-oxovaleric acid 1.95
2 2-dimethylsuccinic acid 2.14
Adipic acid 8.6
Gluconolactone 2.28
Glucuronic acid 8.82
Galacturonic acid 9.24
Galactaric acid 10.15
Histidinol 6.28
Pipecolic acid 5.92
Aminoadipic acid 9.28
Ala-Ala 4.74
Cystine 9.77
Leucic acid 2.16
Mevalonic acid 3.8
Glucose 6.18
Inositol 8.69
Mannose 5.86
Fructose 5.04
Leucine 3.8
Isoleucine 4.19
Alloisoleucine 4.2
Glucosamine 6.43
Glucose-6-phosphate 11.26
Fructose-6-phosphate 10.57
Glucose-1-phosphate 10.49
N-Acetylputrescine 6.04
Lysine 12.67
5-Hydroxylysine 12.11
Arginine 11.61
D-glucosamine-1/6-phosphate 10.82
Fructose-1 6-bisphosphate 13.25
Sorbitol 6.12
Pterin 3.46
Isoxanthopterin 6.26
Nicotinate 3.05
Urocanic acid 4.58
Hydroquinone 2.01
Aconitate 10.35
1-Methylimidazole acetic acid 4.66
Oxoadipic acid 7.85
Ascorbic acid 6.49
Isocitrate 11.0
Citrate 11.72
Hisidine 7.73
N-Acetylaspartate 8.99
Shikimate 7.71
1-Methylhistidine 7.72
Acetyl proline 4.15
N-acetyl-glutamate 8.71
Glycyl-L-proline 7.87
Pimelic acid 8.09
3-Methyladipic acid 8.11
2-Isopropylmalic acid 7.4
Quinic acid 7.35
Isovalerylglycine 2.52
Acetyl-Methionine 2.67
Theanine 6.0
N-acetyl-L-ornithine 8.3
Diaminopimelic acid 10.87
Cystathionine 10.31
Homocitrulline 7.88
Acetylcholine 3.28
Carnitine 7.24
Homoarginine 11.44
Quinolinate 8.68
2 3-dihydroxybenzoic acid 1.9
Salicylamide 1.27
m-aminobenzoic acid 2.75
3-Hydroxyanthranilic acid 2.54
2-Furoyl glycine 2.79
Methylnicotinamide 5.64
1 3-Dimethyluric acid 3.01
Cresol 1.93
4-Methylcatechol 1.23
1 6-Dimethylaminopurine 1.92
Pyridoxal 5-phosphate 9.82
Tyramine 2.86
Phenylethanolamine 2.37
Dopamine 4.45
Pyridoxine 2.37
Pyridoxamine 5.68
Pyridoxamine 5-phosphate 12.3
Suberic acid 7.82
Acetyl leucine 2.46
Acetyllysine 8.37
Glycine-L-leucine 3.95
N6-Acetyl-L-lysine 6.89
Acetyl-arginine 7.53
Hydroxyoctanoic acid 1.95
DL-2-Aminooctanoic acid 2.53
NG-dimethyl-L-arginine 10.42
Glycerophosphocholine 8.48
Indole 1.2
Indoxyl sulfate 1.27
3-Cresotinic acid 1.27
4-Hydroxy-3-methylbenzoic acid 2.32
Hydroxyphenylacetic acid 2.78
Mandelic acid 2.02
Methoxy-hydroxybenzoic acid 1.29
Dihydroxybenzeneacetic acid 1.91
Hydroxymandelic acid 2.53
2-phenylglycine 3.76
Pyridoxic acid 1.91
3-Indo-L-tyrosine 3.56
4-Aminohippuric acid 3.28
Methylphenyllactate 1.9
Phenyllactic acid 1.97
Hydroxyphenyllactic acid 2.61
Homovanillic acid 2.61
Syringic acid 2.5
Vanillylmandelic acid 2.75
Sepiapterin 2.64
Phenylalanine 3.41
Tyrosine 4.85
Uridine 2.65
UMP 10.15
Cytidine 3.86
Phenylpropanolamine 2.16
Epinephrine 6.47
dCMP 10.18
CMP 10.68
Carnosine 9.3
5-Aminoimidazole-4-carboxamide ribonucleoside (AICAr) 2.94
UTP 13.28
5-Aminoimidazole-4-carboxamide ribonucleotide 9.85
dCTP 13.1
CTP 13.63
Pantothenate 4.2
Muramic acid 7.43
Indole-3-carboxylic acid 2.2
Cinnamic acid 1.91
Phenyl-pyruvate 1.9
p-coumaric acid 2.29
Hydroxyphenyl pyruvate 1.93
3-Methylindole 1.13
Hippuric acid 2.39
3-Hydroxyhippuric acid 1.92
Pyrophosphate 16.15

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