Metbolomics Annotation

In metasysX we have one of the biggest spectral and chromatographic internal databases world-wide which leads to the annotation of hundreds of compounds of different classes. Check how many metabolites were annotatated in different samples.

Annotation using DATABASE Our compounds spectral database contains more than 8000 entries from which almost 6000 are natural compounds from plants, animals, bacteria and fungi. Detailed information about the annotation process and the compounds which are in databases you find here. Annotation of samples analysed with different platforms is performed using a database with a relevant spectral and chromatographic information. The annotation level depends on the quality, amount and type of samples. Information about the number of annotated compounds in different samples.

Annotation using Fragmentation spectrum additionally to the extensive annotation using database, we annotate lipids using the fragmentation spectrum and chromatographic patterns. This enhances the number of annotated compounds.

What can be detected amongst all using untargeted Metabolomics for brain and serum samples

Mice Brain Samples

Adrenaline
Noradrenaline
L-DOPA
Serotonin
Dopamine
L-Tyrosine
Acetylcholine
gamma-L-Glutamyl-L-threonine
gamma-L-Glutamyl-L-leucine
gamma-L-Glutamyl-L-tyrosine
gamma-L-Glutamyl-L-tryptophan
Gamma-aminobutyric acid (GABA)
L-Glutamine

Serum and Cell Cultures Samples

Glutathione-reduced
Adenosine monophosphate
Adenosine diphosphate
S-Adenosyl methionine
Uridine
Adenine
Cytidine
Inosine
L-Ornithine
L-Citrulline
Guanosine
Nicotinic acid
L-Carnitine
Creatine

L-Tryptophan
L-Methionine
Cytidine
Riboflavin
Choline
Ergothioneine
Xanthine
L-Kynurenine
Betaine
Hypoxanthine
Cholic acid
Choline
Betaine
Pyroglutamic acid

Glycodeoxycholic acid
Citric acid
beta-Hydroxylauric acid
1-Methyluric acid
alpha-Ketoglutaric acid
Urea
Taurine
Pyruvic acid
Cholesterol
(S)-Lactate
L-Cysteine
Maleic acid
Nicotinic acid

The level of annotation depends on the amount quality, diversity and types of samples. Below we present the number of compounds which were annotated with metaSysX database and/or fragmentation spectrum (Only for lipids) in different sample using all metaSysX analytical platforms (GC-MS, LC-MS for metabolomics and LC-MS for lipidomics)

Amino Acid Metabolism

L,L-2,6-diaminoheptanedioic acid
2-methylmalic acid
2-oxoadipic acid
2-oxobutanoic acid
2-oxoglutaric acid
2-oxoisovaleric acid
3-(4-hydroxyphenyl)pyruvic acid
L-alanine
2-isopropylmalic acid
anthranilic acid
L-arginine
L-argininosuccinic acid
L-asparagine
L-aspartic acid
chorismic acid
citric acid
L-citrulline
L-cystathionine
L-cysteine
D-fructose-6P

L-glutamic acid
L-glutamine
D-glycerate-3P
L-glycine
L-histidine
L-histidinol
L-histidinol-P
L-homocysteine
L-homoserine
isocitric acid
L-isoleucine
L-leucine
L-lysine
L-methionine
N-acetyl-L-glutamic acid
N-acetyl-L-ornithine
O-acetyl-L-serine
L-ornithine
O-succinyl-L-homoserine
oxaloacetic acid

Amino Acids

L-alanine
L-arginine
L-asparagine
L-aspartic acid
L-cysteine
L-glutamic acid
L-glutamine
glycine
L-histidine
L-isoleucine
L-leucine
L-lysine
L-methionine
L-phenylalanine
L-proline
L-serine
L-threonine
L-tryptophan
L-tyrosine
L-valine

Purine & Pyrimidine Metabolism

2',3'-cyclic AMP
2',3'-cyclic CMP
3',5'-cyclic AMP
3',5'-cyclic GMP
3'-AMP
3'-CMP
adenine
adenosine
adenylosuccinic acid
adenylyl sulfate
ADP
allantoic acid
allantoin
AMP
ATP
CDP
CMP
CTP
cytidine
cytosine
carbamoyl-P

dADP
dAMP
dATP
dCDP
dCMP
dCTP
deoxyadenosine
deoxycytidine
deoxyguanosine
deoxyinosine
deoxyuridine
dGDP
dGMP
dGTP
dTMP
dTTP
dUDP
dUMP
dUTP
GDP
glyoxylic acid

GMP
GTP
guanine
guanosine
hypoxanthine
IMP
inosine
D-ribose-5P
D-ribose-1P
thymidine
thymine
UDP
UMP
uracil
uric acid
uridine
UTP
xanthine
xanthosine
XMP

Glycolysis & TCA Cycle

2-oxoglutaric acid
cis-aconitic acid
citric acid
D-fructose-6P
fumaric acid
D-glucose
D-glucose-6P
D-glucose-1P
glyceraldehyde-3P
D-glycerate-3P
malic acid
oxaloacetic acid
phosphoenol pyruvic acid
pyruvic acid
succinic acid

Central Metabolism

1-methyl-L-histidine
2-aminophenol
2-deoxy-D-ribose
2-oxoadipic acid
2-oxobutanoic acid
2-oxoglutaric acid
2-oxoisocaproic acid
2-oxoisovaleric acid
2-phenylacetamide
3-dehydroshikimic acid
3-hydroxyanthranilic acid
3-hydroxyphenylacetic acid
3-indoleacetamide
3-iodo-L-tyrosine
3-methoxytyramine
3-methyl-2-oxopentanoic acid
4-aminobutanoic acid
4-coumaric acid
4-hydroxyphenylacetic acid
4-hydroxy-L-proline
5-aminopentanoic acid
5-hydroxy-L-tryptophan
5-oxo-L-proline
agmatine
L-alanine
allantoic acid
allantoin
2-isopropylmalic acid
anserine
anthranilic acid
arbutin
L-arginine
L-arginine-P
L-argininosuccinic acid
L-asparagine

L-aspartic acid
beta-tyrosine
carbamoyl-P
L-carnosine
chiro-inositol
cis-aconitic acid
D-citramalic acid
citric acid
L-citrulline
creatine
L-cystathionine
L-cysteic acid
L-cysteine
L-cysteinesulfinic acid
3,5-diiodo-L-tyrosine
dopamine
ergothioneine
D-fructose-6P
fumaric acid
gentisic acid
D-gluconic acid
D-glucono-1,5-lactone
D-glucosaminic acid
D-glucosamine-6P
D-glucose
D-glucose-6P
D-glucose-1P
D-glucuronic acid
L-glutamic acid
L-glutamine
glyceraldehyde-3P
D-glyceric acid
D-glycerate-3P
glycerol
glycerol-3P

glycerone-P
glycine
glyoxylic acid
histamine
L-histidine
L-histidinol
L-histidinol-P
L-homocysteine
homogentisic acid
L-homoserine
indole
Indoleacetic acid
L-isoleucine
kynurenine
L-dopa
L-leucine
L-lysine
L-malic acid
L-methionine
methyl-imidazoleacetic acid
myo-inositol
N-acetyl-L-glutamic acid
N-acetyl-L-ornithine
N-acetyl-L-phenylalanine
N-acetyl-putrescine
N-carbamyl-L-glutamic acid
N-formyl-L-aspartic acid
N-formyl-L-methionine
N-methyl-histamine
noradrenaline
normetanephrine
O-acetyl-L-serine
octopine
L-ornithine
O-succinyl-L-homoserine

Oxaloacetic acid
phenylacetaldehyde
L-phenylalanine
phenylpyruvic acid
phosphoenol pyruvic acid
phospho-L-serine
prephenic acid
L-proline
putrescine
pyruvic acid
quinic acid
D-ribose
D-ribose-5P
D-ribose-1P
D-ribulose-5P
S-adenosyl-L-methionine
salicin
D-sedoheptulose-7P
L-serine
serotonin
shikimic acid
S-methyl-5'-thioadenosine
spermidine
spermine
S-sulfo-L-cysteine
succinic acid
L-threonine
L-tryptophan
tyramine
L-tyrosine
uric acid
urea
urocanic acid
L-valine