Reference Libraries

Spectral Reference Libraries 400MHz - 800MHz

C-13 Labelled Compounds Available on Request

For 600MHz and 700MHz use only

13C6- Glucose 1,2- 13C2- Glucose
13C6- Glutamine 1,2- 13C2- Glutamine

Proprietary Reference Libraries Supporting 400MHz Through 800MHz NMR Instruments

The Chenomx Spectral Reference Libraries contain hundreds of fully searchable and pH-sensitive compound models. These models are automatically and seamlessly calibrated during software operation to match experimental sample conditions. Unique reference libraries are available for 400, 500, 600, 700 and 800 MHz NMR instruments and are included with the license of Chenomx software. The software can be used to confirm what compounds are in a particular library.
 

Please inquire about compound models available for selected 13C labelled isotopes.

Chenomx Reference Libraries 400 Mhz - 700 Mhz Excel Document

Library Archive

HMDB Libraries

Chenomx Inc

Alanine, Aspartate and Glutamate Metabolism
1,3-Diaminopropane
2-Aminobutyrate
2-Oxocaproate
4-Aminobutyrate
Alanine
Asparagine
Aspartate
Glutamate
N-Acetylaspartate
N-Acetylglutatmate
N-Acetylglutamine
Pyroglutamate

Alcohols and Polyols
1,3-Dihydroxyacetone
2-Phosphoglycerate
4-Hydroxybutyrate
4-Pyridoxate
5-Hydoxylysine
6-Hydroxynicotinate
Acetoin
Arabinitol
Ascorbate
Chlorogenate
Choline
D-Threitol
Epicatechin
Erythritol
Ethanol
Ethanolamine
Ethylene glycol
Galactarate
Galactitol
Galactonate
Glucarate
Glucitol
Gluconate
Glycerate
Glycerol
Glycolate
Hydroxyacetone
Isopropanol
Kynurenate
Mannitol
Methanol
N-Acetylserotonin
Pantothenate
Propylene glycol
Pyridoxine
Riboflavin
Serotonin
Threonate
Xanthurenate
Xylitol
myo-Inositol
sn-Glycero-3-phosphocholine
Amides
1-Methylnictinamide
Acetamide
Acetaminophen
Allantoin
Biotin
Citrulline
Glycylproline
Homocitrulline
Melatonin
N-Acetylglucosamine
N-Acetylglutamine
N-Acetylserotonin
N-Carbamoyl-β-alanine
N-Methylhydantoin
N6-Acetyllysine
NAD+
NADH
NADP+
NADPH
Niacinamide
Nicotinamide N-oxide
Riboflavin
UDP-N-Acetylglucosamine
Urea
Amido Acids
2-Furolglycine
4-Aminohippurate
Anserine
Asparagine
Carnosine
Glutamine
Glutathione
Glycylproline
Hippurate
N-Acetylaspartate
N-Acetylcysteine
N-Acetylglutamate
N-Acetylglutamine
N-Acetylglycine
N-Acetylornithine
N-Acetyltyrosine
N-Carbamoylaspartate
N-Isovaleroylglyine
N-Phenylacetylglycine
N-Phenylacetylphenylalanine
Nicotinurate
Nα-Acetyllysine
O-Acetylcarnitine
Pantothenate
Pyroglutamate
Salicylurate
Tiglyglycine
Amines
1,3-Diaminopropane
1-Methylnictinamide
3-Hydoxykynurenine
4-Aminohippurate
4-Guanidinobutanoate
4-Pyridoxate
5-Aminolevulinate
5-Aminopentanoate
5-Hydoxylysine
6-Hydroxynicotinate
Anserine
Anthranilate
Arginine
Cadaverine
Carnitine
Carnosine
Creatine
Creatine phosphate
Creatinine
Dimethylamine
Ethanolamine
Guanidinosuccinate
Guanidoacetate
Histamine
Kynurenate
Kynurenine
Lysine
Methylamine
N,N-Dimethylformamide
N-Acetylornithine
N-Nitrosodimethylamine
NAD+
NADH
NADP+
Niacinamide
Nicotinate
Nicotinic acid adenine dinucledotide
Nicotinurate
Nα-Acetyllysine
O-Acetylcholine
O-Phosphocholine
O-Phosphoethanolamine
Omithine
Putrescine
Pyridoxine
Riboflavin
Serotonin
Taurine
Trigonelline
Trymethylamine
Tyramine
sn-Glycero-3-phosphocholine
Amino Acids
2-Aminoadipate
2-Aminobutyrate
2-Furoylglycine
3,5-Dibromotyrosine
3-Aminoisobutyrate
3-Chlorotyrosine
3-Hydroxykynurenine
4-Aminobutyrate
4-Carboxyglutamate
5-Aminopentanoate
5-Hydoxylysine
5-Hydoxytryptophan
Alanine
Alloisoleucine
Arginine
Asparagine
Aspartate
Betaine
Citrulline
Creatine
Creatine phosphate
Cystathionine
Cysteine
Cystine
Glutamate
Glutamine
Glutathione
Glycine
Histidine
Homocitrulline
Homocysteine
Homocystine
Homoserine
Isoleucine
Kynurenine
Leucine
Lysine
Methionine
N,N-Dimethylglycine
N6-Acetyllysine
O-Phosphoserine
Ornithine
Phenylalanine
Pipecolate
Proline
S-Adenosylhomosteine
S-Sulfocysteine
Saccharopine
Sarcosine
Serine
Threonine
Tryptophan
Tyrosine
Valine
trans-4-Hydroxy-L-proline
β-Alanine
γ-Glutamylphenylalanine
π-Methylhistidine
τ-Methylhistidine
Arginine and Proline Metabolism
4-Guanidinobutanoate
Agmatine
Creatine
Creatine phosphate
Creatinine
Glycylproline
Guanidinosuccinate
N-Acetylomithine
N-Methylhydantoin
Proline
trans-4-Hydroxy-L-proline
Aromatics
1-Methylnicotinamide
2-Furoate
2-Phenylpropionate
3-Indoxylsulfate
3-Phenyllactate
3-Phenylpropionate
4-Aminohippurate
4-Pyridoxate
5-Hydoxyindole-3-acetate
5-Hydoxytryptophan
6-Hydoxynicotinate
Acetylalicylate
Anserine
Anthranilate
Benzoate
Carnosine
Cinnamate
Hippurate
Histamine
Histidine
Iburprofen
Imidazole
Indole-3-acetate
Indole-3-lactate
Kynurenate
Kynurenine
Mandelate
Melatonin
N-Acetylserotonin
N-Phenylacetylgylcine
N-Phenylacetylphenylalanine
NAD+
NADP+
Niacinamide
Nicotinamide N-oxide
Nicotinate
Nicotinic acid adenine dinucleotide
Nicotinurate
Phenylacetate
Phenylalanine
Phthalate
Pyridoxine
Quinolinate
Riboflavin
Serotonin
Trigonelline
Tropate
Tryptophan
Urocanate
Xanthurenate
γ-Glutamylpheylalanine
π-Methylhistidine
τ-Methylhistidine
Bile Acid Biosynthesis
Cholate
Glycocholate
Isocaprooate
Taurine
Bile Acids
Cholate
Glycocholate
Carbohydrate Metabolism
2-Phosphoglycerate
Arabinitol
Arabinose
Ascorbate
Cellobiose
Ethanol
Fructose
Fucose
Galactarate
Galactitol
Galactonate
Galactose
Glucarate
Glucitol
Gluconate
Glucose
Glucose-1-phosphate
Glucose-6-phosphate
Glucuronate
Lactose
Maltose
Mannitol
Mannose
N-Acetylglucosamine
Ribose
Sucrose
Threonate
Trehalose
UDP-N-Acetylglucosamine
UDP-galactose
UDP-glucose
UDP-glucoronate
Xylitol
Xylose
myo-Inositol
Carboxylic Acids
2,3,4-Trihydroxybenzoate
2,6-Dihydroxybenzoate
2-Aminoadipate
2-Ethylacrylate
2-Furoate
2-Hydroxyglutarate
2-Hydroxyphenylacetate
2-Methylglutarate
2-Methylglutarate
2-Oxoglutarate
2-Phenylpropionate
2-Phosphoglycerate
3,4-Dihydroxybenzeneacetate
3-Hydromuconate
3-Hydroxy-3-methylglutarate
3-Hydroxyphenylacetate
3-Methyladipate
3-Methylglutarate
3-Phenylpropionate
4-Carboxyglutamate
4-Guanidinobutanoate
4-Hydroxybenzoate
4-Hydroxyphenylacetate
4-Pyrdidoxate
5-Hydroxyindole-3-acetate
5-Methoxysalicylate
6-Hydroxynicotinate
Acetylsalicylate
Adipate
Anthranilate
Aspartate
Azelate
Benzoate
Biotin
Cinnamate
Citraconate
Citrate
Desaminotyrosine
Ethylmalonate
Ethylmalonate
Ferulate
Formate
Fumarate
Galactarate
Gentisate
Glucarate
Gluconate
Glutamate
Glutarate
Glutaric acid monomethyl ester
Guanidinosuccinate
Guanidoacetate
Homogentisate
Homovanillate
Ibuprofen
Indole-3-acetate
Isobutyrate
Isocaproate
Isocitrate
Kynurenate
Malate
Maleate
Malonate
Methylmalonate
Methylsuccinate
N-Acetylsaspartate
N-Acetylglutamate
N-Acetylglutamine
N-Carbamoyl-β-alanine
N-Carbamoylaspartate
N-Carbamoylaspartate
Nicotinate
Nicotinic acid adenine dinucleotide
Phenylacetate
Phenylglyoxylate
Phthalate
Pimelate
Protocatechuate
Quinolinate
Saccharopine
Salicylate
Sebacate
Suberate
Succinate
Syringate
Tartate
Trigonelline
Urocanate
Vanillate
Xanthurenate
cis, cis-Muconate
cis-Aconitate
trans-Aconitate
Cysteine and Methionine Metabolism
Cystathionine
Cysteine
Cystine
Homocysteine
Homocystine
Methionine
N-Acetylcysteine
S-Adenosylhomocysteine
S-Sulfocysteine
D-xylose Metabolism
D-Threitol
Drug Components
2,3,4-Trihydroxybenzoate
2,6-Dihydroxybenzoate
3,5-Dibromotyrosine
5-Methoxysalicylate
Acetaminophen
Acetylsalicylate
Azelate
Ibuprofen
Imidazole
Lactulose
Levulinate
N-Phenylacetylphenylalanine
Oxypurinol
Salicylate
Salicylurate
Thymol
Valproate
Environmental Pollutants
1,6-Anhydro-β-D-glucose
2-Furoate
2-Hydroxyisobutyrate
2-Hydroxyvalerate
2-Phenylpropionate
Acetamide
Butanone
Isoeugenol
Mandelate
N,N-Dimethylformamide
N-Nitrosodimethylamine
Phthalate
Fatty Acids
2-Octenoate
Acetate
Butyrate
Caprate
Caprylate
Isovalerate
Propionate
Valerate
Valproate
Food Components
1,3-Dimethylurate
1,7-Dimethylxanthine
2-Furoylgylcine
3-Methylxanthine
Acetoin
Adipate
Caffeine
Chlorogenate
Dimethyl sulfone
Epicatechin
Erythritol
Ferulate
Gallate
Glutaric acid monomethyl ester
Isobutyrate
Pyrocatechol
Syringate
Theophylline
Trigonelline
Vanillate
Glycine, Serine and Threonine Metabolism

 

2-Oxobutyrate
5-Aminolevulinate
Betaine
Glycine
Guanidoacetate
Homoserine
Hydroxyacetone
N,N-Dimethylglycine
N-Acetylglycine
N-Isovaleroylglycine
O-Phosphoserine
Sarcosine
Serine
Threonine
Histidine Metabolism
Anserine
Carnosine
Histamine
Histidine
Urocanate
β-Alanine
π-Methylhistidine
τ-Methylhistidine
Hydroxy Acids
2-Hydroxy-3-methylvalerate
2-Hydroxybutyrate
2-Hydroxyglutarate
2-Hydroxyisobutyrate
2-Hydroxyisocaproate
2-Hydroxyisovalerate
2-Hydroxyvalerate
3,4-Dihydroxymandelate
3-Hydroxy-3-methylglutarate
3-Hydroxybutyrate
3-Hydroxyisobutyrate
3-Hydroxyisovalerate
3-Hydroxymandelate
3-Phenyllactate
4-Hydroxy-3-methoxymandelate
4-Hydroxybutyrate
4-Hydroxyphenyllactate
Carnitine
Chlorogenate
Citrate
Galactonate
Gallate
Glycerate
Glycolate
Homoserine
Indole-3-lactate
Isocitrate
Lactate
Malate
Mandelate
Serine
Tartrae
Threonate
Threonine
Tropate
trans-4-Hydroxy-L-proline
Internal Standards
DSS (Chemical Shape Indicator)
DSS-d6 (Chemical Shape Indicator)
Keto Acids
2-Oxobutyrate
2-Oxocaproate
2-Oxoglutarate
2-Oxoisocaproate
2-Oxovalerate
3-Hydroxykynurenine
2-Methyl-2-oxovalerate
5-Aminolevulinate
Acetoacetate
Kynurenine
Levulinate
Pyruvate
Succinylacetone
Ketone Body Metabolism
3-Hydroxy-3-methylglutarate
3-Hydroxybutyrate
Acetoacetate
Acetone
Ketones
Acetoacetate
Acetoin
Acetone
Butanone
Creatinine
Hydroxyacetone
Phenylglyoxylate
Succinylacetone
Lipid Metabolism
1,3-Dihydroxyacetone
2-Hydroxybutyrate
2-Hydroxyglutarate
2-Methylglutarate
2-Octenoate
3-Hydromuconate
3-Methyladipate
4-Aminohippurate
4-Hydroxybutyrate
Butyrate
Caprate
Caprylate
Carnitine
Choline
Ethanolamine
Ethylmalonate
Glutarate
Glycerate
Glycerol
Isopropanol
Maleate
Malonate
Methylsuccinate
O-Acetylcarnitine
O-Acetylcholine
O-Phosphocholine
O-Phosphoethanolamine
Propionate
Propylene glycol
Sebacate
Suberate
Valerate
sn-Glycero-3-phosphocholine
Lysine Metabolism
2-Aminoadipate
5-Aminopentanoate
5-Hydroxylysine
Homocitrulline
Lysine
N6-Acetyllysine
Nα-Acetyllysine
Pimelate
Pipecolate
Saccharopine
Methane Metabolism
Dimethylamine
Methanol
Methylamine
Trimethylamine
Trimethylamine N-oxide
Monosaccharides and Disaccharides
1,6-Anhydro-β-D-glucose
Arabinose
Cellobiose
Fructose
Fucose
Galactose
Glucose
Glucose-1-phosphate
Glucose-6-phosphate
Glucuronate
Lactose
Lactulose
Maltose
Mannose
N-Acetylglucosamine
NAD+
NADH
NADP+
NADPH
Nicotinic acid adenine dinucleotide
Ribose
Sucrose
Trehalose
UDP-N-Acetylglucosamine
UDP-galactose
UDP-glucose
UDP-glucuronate
Xylose
N-oxides
Nicotinamide N-oxide
Trimethylamine N-oxide
Nucleotides and Nucleosides
2'-Deoxyadenosine
2'-Deoxyguanosine
2'-Deoxyinosine
2'-Deoxyuridine
ADP
AMP
ATP
Adenosine
Cytidine
GTP
Guanosine
IMP
Inosine
NAD+
NADH
NADP+
NADPH
Nicotinic acid adenine dinucleotide
S-Adenosylhomocysteine
Thymidine
UDP-N-Acetylglucosamine
UDP-galactose
UDP-glucose
UDP-glucuronate
Uridine
Xanthosine
dCTP
dTTP
Organohalides
3,5-Dibromotyrosine
3-Chlorotyrosine
Phenols
2,3,4-Trihydroxybenzoate
2,6-Dihydroxybenzoate
2-Hydroxyphenylacetate
3,4-Dihydroxybenzeneacetate
3,4-Dihydroxymandelate
3,5-Dibromotyrosine
3-Chlorotyrosine
3-Hydroxykynurenine
3-Hydroxymandelate
3-Hydroxyphenylacetate
4-Hydroxy-3-methoxymandelate
4-Hydroxybenzoate
4-Hydroxyphenylacetate
4-Hydroxyphenyllactate
5-Hydroxyindole-3-acetate
5-Hydroxytryptophan
5-Methoxysalicylate
Acetaminophen
Catechol
Chlorogenate
Desaminotyrosine
Epicatechin
Ferulate
Gallate
Gentisate
Homogentisate
Homovanillate
Isoeugenol
N-Acetyltyrosine
Phenol
Protocatechuate
Pyrocatechol
Salicylate
Salicylurate
Syringate
Thymol
Tyramine
Tyrosine
Vanillate
o-Cresol
p-Cresol
Phenylalanine and Tyrosine Metabolism
2-Hydroxyphenylacetate
3,4-Dihydroxybenzeneacetate
3,4-Dihydroxymandelate
3-Chlorotyrosine
3-Hydroxymandelate
3-Hydroxyphenylacetate
3-Phenyllactate
3-Phenylpropionate
4-Hydroxy-3-methoxymandelate
4-Hydroxybenzoate
4-Hydroxyphenylacetate
4-Hydroxyphenyllactate
Benzoate
Catechol
Cinnamate
Desaminotyrosine
Gentisate
Hippurate
Homogentisate
Homovanillate
N-Acetyltyrosine
N-Phenylacetylglycine
Phenol
Phenylacetate
Phenylalanine
Phenylglyoxylate
Protocatechuate
Succinylacetone
Tropate
Tyramine
Tyrosine
cis,cis-Muconate
o-Cresol
p-Cresol
γ-Glutamylphenylalanine
Phosphates
2-Phosphoglycerate
Creatine phosphate
Glucose-1-phosphate
Glucose-6-phosphate
O-Phosphocholine
O-Phosphoethanolamine
O-Phosphoserine
sn-Glycero-3-phosphocholine
Purine and Pyrimidine Metabolism
2'-Deoxyadenosine
2'-Deoxyguanosine
2'-Deoxyinosine
2'-Deoxyuridine
3-Aminoisobutyrate
5,6-Dihydrothymine
5,6-Dihydrouracil
ADP
AMP
ATP
Adenine
Adenosine
Allantoin
Cytidine
Cytosine
GTP
Guanosine
Hypoxanthine
IMP
Inosine
Methylmalonate
N-Carbamoyl-β-alanine
Pyrimidine
Thymidine
Thymine
UMP
Uracil
Uridine
Xanthine
Xanthosine
dCTP
dTTP
Purines and Pyrimidines
1,3-Dimethylurate
1,7-Dimethylxanthine
3-Methylxanthine
5,6-Dihydrothymine
5,6-Dihydrouracil
Adenine
Caffeine
Cytosine
Hypoxanthine
Oxypurinol
Pyrimidine
Theophylline
Thymine
UMP
Uracil
Xanthine
Putrefaction
Cadaverine
Methylguanidine
Putrescine
Pyruvate and Tricarboxylate Metabolism
2-Oxoglutarate
2-Oxovalerate
Acetate
Citrate
Ethylene glycol
Formate
Fumarate
Glycolate
Isocitrate
Lactate
Malate
Pyruvate
Succinate
Tartrate
cis-Aconitate
trans-Aconitate
Sulfur Compounds
3-Indoxylsulfate
Biotin
Cystathionine
Cysteine
Cystine
DSS (Chemical Shape Indicator)
DSS-d6 (Chemical Shape Indicator)
Dimethyl sulfone
Glutathione
Homocysteine
Homocystine
Methionine
N-Acetylcysteine
S- Adenosylhomocysteine
S-Sulfocysteine
Taurine
Tryptophan Metabolism
3-Hydroxykynurenine
3-Indoxylsulfate
5-Hydroxyindole-3-acetate
5-Hydroxytryptophan
Anthranilate
Indole-3-acetate
Indole-3-lactate
Kynurenate
Kynurenine
Melatonin
N-Acetylserotonin
Nicotinic acid adenine dinucleotide
Nicotinurate
Serotonin
Tryptophan
Xanthurenate
Urea Cycle
Arginine
Citrulline
Ornithine
Urea
Valine, Leucine and Isoleucine Metabolism
2-Ethylacrylate
2-Hydroxy-3-methylvalerate
2-Hydroxyisocaproate
2-Hydroxyisovalerate
2-Oxoisocaproate
3-Hydroxyisobutyrate
3-Hydroxyisovalerate
3-Methyl-2-oxovalerate
3-Methylglutarate
Alloisoleucine
Citraconate
Isoleucine
Isovalerate
Leucine
Tiglylglycine
Valine
Vitamins and Cofactors
1-Methylnicotinamide
4-Pyridoxate
6-Hydroxynicotinate
Biotin
Glutathione
NAD+
NADH
NADP+
NADPH
Niacinamide
Nicotinamide N-oxide
Nicotinate
Pantothenate
Pyridoxine
Quinolinate
Riboflavin
Xenobiotics
DSS (Chemical Shape Indicator)
DSS-d6 (Chemical Shape Indicator)