Exact Mass: 280.0994
Exact Mass Matches: 280.0994
Found 188 metabolites which its exact mass value is equals to given mass value 280.0994,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Aspartylphenylalanine
Aspartylphenylalanine is a dipeptide composed of aspartate and phenylalanine, and is a metabolic byproduct of its methyl ester, aspartame (Nutrasweet). After hydrolysis of the ester bond in the intestinal lumen, the dipeptide is apparently absorbed and digested in the same manner as dipeptides derived from protein digestion. There are several Asp-Phe dipeptidases that degrade this peptide. It has been suggested that individuals with aspartame allergies may be deficient in this peptidase (PMID: 3743970). It has been observed that N-beta-aspartylphenylalanine (a breakdown product of Asp-Phe) is a naturally occurring peptide found in both blood and urine (PMID: 2723819).
Degradation product of Aspartame
Gravolenic acid
Gravolenic acid is found in herbs and spices. Gravolenic acid is isolated from above-ground parts of Ruta graveolens (rue). Isolated from above-ground parts of Ruta graveolens (rue). Gravolenic acid is found in herbs and spices.
Phenylalanylaspartic acid
Phenylalanylaspartic acid is a dipeptide composed of phenylalanine and aspartic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Methionyl-Methionine
Methionyl-Methionine is a dipeptied compoosed of two methionine residues. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
L-beta-aspartyl-L-phenylalanine
L-beta-aspartyl-l-phenylalanine is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Levosimendan
Levosimendan is a calcium sensitiser used in the management of acutely decompensated congestive heart failure. It increases the sensitivity of the heart to calcium, thus increasing cardiac contractility without a rise in intracellular calcium. Levosimendan exerts its effect by increasing calcium sensitivity of myocytes by binding to cardiac troponin C in a calcium-dependent manner. It also has a vasodilatory effect, by opening adenosine triphosphate (ATP)-sensitive potassium channels in vascular smooth muscle to cause smooth muscle relaxation. D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
4-(2-Aminopyrimidin-4-yl)-6-(2-aminopyrimidin-4(3H)-ylidene)cyclohexa-2,4-dien-1-one
Flumecinol
C26170 - Protective Agent > C2081 - Hepatoprotective Agent
Simendan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
Ethyl phthalyl ethyl glycolate
CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8547; ORIGINAL_PRECURSOR_SCAN_NO 8543 ORIGINAL_ACQUISITION_NO 8582; CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8582; ORIGINAL_PRECURSOR_SCAN_NO 8579 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8594; ORIGINAL_PRECURSOR_SCAN_NO 8590 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8629; ORIGINAL_PRECURSOR_SCAN_NO 8624 CONFIDENCE standard compound; INTERNAL_ID 554; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8644; ORIGINAL_PRECURSOR_SCAN_NO 8639
6-acetoxy-8,9-dehydro-6-carbomethoxy-10-hydroxy-thymol
(3R*,4R*)-3,4-dihydro-3,4,8-trihydroxy-6-methoxy-3-(2-oxopropyl)naphthalen-1(2H)-one|balticol D
(E)-2,3-dihydroxycyclopentyl-3-(3,4-dihydroxyphenyl)acrylate|1-(3,4-dihydroxycinnamoyl)cyclopentane-2,3-diol
(6S,8S)-5,6,7,8-tetrahydro-1,3,6-trihydroxy-6-acetyl-8-methylnaphthalene-4-carboxylic acid|ficuselastic acid
2-(1,3-benzodioxol-5-yl)ethyl 5-hydroxy-4-oxo-pentanoate
(E)-1-(L-cystein-S-yl)-N-hydroxy-omega-(methylsulfanyl)hexan-1-imine
Zhebeiresinol
Zhepeiresinol is a natural product found in Magnolia kachirachirai, Ilex pubescens, and Callicarpa pilosissima with data available.
Levosimendan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
Asp-phe
A dipeptide formed from L-alpha-aspartyl and L-phenylalanine residues. It is obtained after the hydrolysis of aspartame in intestinal lumen.
Levosimedan
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058987 - Phosphodiesterase 3 Inhibitors C - Cardiovascular system > C01 - Cardiac therapy > C01C - Cardiac stimulants excl. cardiac glycosides C78274 - Agent Affecting Cardiovascular System > C78322 - Cardiotonic Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents
Met-met
A dipeptide formed from two L-methionine residues.
Phe-asp
A dipeptide formed from L-phenylalanine and L-aspartic acid residues.
Gravolenic acid
tert-Butyl 6-(aminomethyl)thieno[2,3-d]pyrimidin-4-ylcarbamate
3-(3,5-Dimethyl-1H-pyrazol-4-ylmethyl)-4-methoxy-benzaldehyde hydrochloride
4-(2,6-Dimethylmorpholin-4-yl)-3-nitrobenzoic acid
N-[(2,4-DIPHENYL-1,3-THIAZOL-5-YL)METHYL]-N-METHYLAMINE
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-one
1H-PYRROLO[2,3-B]PYRIDINE, 1-(METHYLSULFONYL)-4-(1-PIPERAZINYL)-
4-OXO-3-PHENYL-3,4-DIHYDROPHTHALAZINE-1-CARBOHYDRAZIDE
(2r,3r)-2,3-o-(1-phenylethylidene)-l-tartaric acid dimethyl ester
6(5H)-Pteridinone, 2-chloro-8-cyclopentyl-7-ethyl-7,8-dihydro
(4,5-DIMETHYL-3-PHENYL-3H-THIAZOL-2-YLIDENE)-PHENYL-AMINE
Ethyl 8-chloro-3,4,4a,5-tetrahydro-1H-pyrido[4,3-b]indole-2(9bH)-carboxylate
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyl]benzoic acid
Imiloxan hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
N-[2-(6-Chloro-5-methoxy-2-methyl-1H-indol-3-YL)ethyl]acetamide
1-Deoxy-1-methoxycarbamido-beta-D-gluco-2-heptulopyranosonamide
2-[(2-Amino-3-phenylpropanoyl)amino]butanedioic acid
(2R)-2-amino-3-[(E)-N-hydroxy-C-(5-methylsulfanylpentyl)carbonimidoyl]sulfanylpropanoic acid
(2S,3R,4S)-2-amino-3,5-dihydroxy-4-(hydroxymethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-7-carboxylic acid
(2S,3R,4R)-2-amino-3,5-dihydroxy-4-(hydroxymethyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole-7-carboxylic acid
3-Benzyl-5-tert-butyl-1,3,5-thiadiazinane-2-thione
4-{(E)-[2-(1H-benzimidazol-2-yl)hydrazinylidene]methyl}benzoic acid
(1S,3S,11R,11aR)-3-amino-1,7,8,11-tetrahydroxy-1,2,3,6,11,11a-hexahydro-4H-pyrido[1,2-b]isoquinolin-4-one
N-[(E)-furan-2-ylmethylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
3-(4,7-Dimethyl-1-quinolin-1-iumyl)-1-propanesulfonic acid
3-(2,7-Dimethyl-1-quinolin-1-iumyl)-1-propanesulfonic acid
[(4R)-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholan-4-yl]methyl octanoate
fumisoquin A
A pyridoisoquinoline that is (11aR)-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinoline substituted by hydoxy groups at positions 1S,7,8 and 11R, by an amino group at position 3S and an oxo group at position 4. It is produced by a biosynthetic gene cluster called fsq in the human pathogen Aspergillus fumigatus.
(3s)-4-[(1r,2r)-1,5-dihydroxy-4-oxo-2,3-dihydro-1h-naphthalen-2-yl]-3-hydroxybutanoic acid
(3as,4s,6as)-4-(4-hydroxy-3,5-dimethoxyphenyl)-tetrahydro-3h-furo[3,4-c]furan-1-one
methyl 3-(7-hydroxy-8-methoxy-1-oxo-3,4-dihydro-2-benzopyran-3-yl)propanoate
(4s,6s)-6,9,11-trihydroxy-4-methyl-4,5,6,7-tetrahydro-1h-3-benzoxecine-2,8-dione
(2s)-2-({4-[(1-hydroxyethylidene)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl}amino)-3-methylbutanoic acid
3-(2,3-dihydroxypropyl)-6,8-dimethoxychromen-2-one
[(3r,4r)-4,8-dihydroxy-3,4-dimethyl-1-oxo-3h-2-benzopyran-7-yl]methyl acetate
(3s,5s)-5-[(2s,3s,4r)-2-chloro-1,3,4-trihydroxyheptyl]-3-methyloxolan-2-one
3-amino-1,7,8,11-tetrahydroxy-1h,2h,3h,6h,11h,11ah-pyrido[1,2-b]isoquinolin-4-one
2-hydroxy-3-methylbutanoic acid,9ci; (r)-form,o-(3,4-methylenedioxybenzoyl),me ester
{"Ingredient_id": "HBIN005747","Ingredient_name": "2-hydroxy-3-methylbutanoic acid,9ci; (r)-form,o-(3,4-methylenedioxybenzoyl),me ester","Alias": "NA","Ingredient_formula": "C14H16O6","Ingredient_Smile": "NA","Ingredient_weight": "280.27","OB_score": "NA","CAS_id": "126518-78-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8618","PubChem_id": "NA","DrugBank_id": "NA"}
asarumin d
{"Ingredient_id": "HBIN017034","Ingredient_name": "asarumin d","Alias": "NA","Ingredient_formula": "C14H16O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1839","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
