Exact Mass: 228.1011
Exact Mass Matches: 228.1011
Found 230 metabolites which its exact mass value is equals to given mass value 228.1011,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Chrysene
Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1]. Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1].
(S)-ATPA
A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-tert-butyl-3-hydroxy-isooxazol-4-yl group.
tebuthiuron
CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8138; ORIGINAL_PRECURSOR_SCAN_NO 8136 DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8086; ORIGINAL_PRECURSOR_SCAN_NO 8082 CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8083; ORIGINAL_PRECURSOR_SCAN_NO 8081 CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8128; ORIGINAL_PRECURSOR_SCAN_NO 8126 CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8086; ORIGINAL_PRECURSOR_SCAN_NO 8082 CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8040; ORIGINAL_PRECURSOR_SCAN_NO 8038 CONFIDENCE standard compound; INTERNAL_ID 557; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8135; ORIGINAL_PRECURSOR_SCAN_NO 8134
Chrysene
Chrysene appears as a crystalline solid. Denser than water and insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit spread to the environment. Toxic by ingestion. Used to make other chemicals. Chrysene is an ortho-fused polycyclic arene found commonly in the coal tar. It has a role as a plant metabolite. Chrysene is a natural product found in Camellia sinensis with data available. Chrysene is an aromatic hydrocarbon in coal tar, allied to naphthalene and anthracene. It is a white crystalline substance, C18H12, of strong blue fluorescence, but generally colored yellow by impurities. Chrysene is one of over 100 different polycyclic aromatic hydrocarbons (PAHs). PAHs are chemicals that are formed during the incomplete burning of organic substances, such as fossil fuels. They are usually found as a mixture containing two or more of these compounds. (L10) An ortho-fused polycyclic arene found commonly in the coal tar. Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1]. Chrysene is a high molecular weight (HMW), polycyclic aromatic hydrocarbon (PAH) known for its recalcitrance and carcinogenic properties[1].
Prolylhydroxyproline
Prolylhydroxyproline is a dipeptide. Prolylhydroxyproline is a marker of bone collagen degradation, showing high sensitivity for the diagnosis of osteoporosis. Prolylhydroxyproline has been suggested as a possible alternative to hydroxyproline determination in bone resorption studies. Prolylhydroxyproline is one of the iminodipeptides present in the urine of patients with prolidase deficiency. Prolidase (X-Pro dipeptidase EC 3.4. 13.9) splits iminodipeptides containing C-terminal proline or hydroxyproline (X-Pro or X-Hyp) to X+Pro or X+Hyp. Prolidase deficiency is a rare autosomal recessive disease characterized by chronic ulcerative dermatitis and mental retardation. These patients excrete large amounts of iminodipeptides containing C-terminal proline in the urine due to hereditary prolidase deficiency. (PMID: 12636053, 11863289, 2387877, 1874885, 9586797) [HMDB] Prolylhydroxyproline is a dipeptide. Prolylhydroxyproline is a marker of bone collagen degradation, showing high sensitivity for the diagnosis of osteoporosis. Prolylhydroxyproline has been suggested as a possible alternative to hydroxyproline determination in bone resorption studies. Prolylhydroxyproline is one of the iminodipeptides present in the urine of patients with prolidase deficiency. Prolidase (X-Pro dipeptidase EC 3.4.13.9) splits iminodipeptides containing C-terminal proline or hydroxyproline (X-Pro or X-Hyp) to X+Pro or X+Hyp. Prolidase deficiency is a rare autosomal recessive disease characterized by chronic ulcerative dermatitis and mental retardation. These patients excrete large amounts of iminodipeptides containing C-terminal proline in the urine due to hereditary prolidase deficiency (PMID: 12636053, 11863289, 2387877, 1874885, 9586797).
Pyroglutamylvaline
Pyroglutamylvaline, also known as pyro-Glu-Val or 5-oxoprolylvaline, is classified as a member of the dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Pyroglutamylvaline is considered to be practically insoluble (in water) and acidic.
Hydroxyprolyl-Proline
Hydroxyprolyl-Proline is a dipeptide composed of hydroxyproline and proline. 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.
Propyl propane thiosulfonate
Propyl propane thiosulfonate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Tetraacetylethylenediamine
Bleach activator used in food-contact paper and paperboard. TAED is an important component of detergents and bleaches. Its is an activator for "active oxygen" bleaching agents. Such active oxygen bleaching agents release hydrogen peroxide during the wash cycle. Such agents include sodium perborate, sodium percarbonate, sodium perphosphate, sodium persulfate, and urea peroxide. The released hydrogen peroxide is an inefficient bleach below 40 °C, except in the presence of activators such as TAED. Tetraacetylethylenediamine, commonly abbreviated TAED, is an organic compound with the formula (CH3C(O))2NCH2CH2N(C(O)CH3)2. This colourless compound is often dyed blue or green for use in laundry detergents, its most significant application. It is produced by acetylation of ethylenediamine. The activation process entails a reaction of the hydrogen peroxide with TAED to release peracetic acid, which is a fast-acting bleaching agent.:. Bleach activator used in food-contact paper and paperboard
5-(Hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-YL)pentanal
3-Hydroxyamino-4,6-dimethyldipyrido(1,2-a:3',2'-d)imidazole
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Glycerol 1,2-dimethacrylate
(2S)-3-Hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Loganetin
Loganetin is an iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. It has a role as a plant metabolite and an antibacterial agent. It is a methyl ester, an iridoid monoterpenoid, a lactol, a cyclopentapyran, an enoate ester and a secondary alcohol. Loganetin is a natural product found in Scaevola floribunda, Calycophyllum spruceanum, and other organisms with data available. An iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. Loganetin is a non-toxic natural product that may be applied in the antibacterial agent development for treating multidrug-resistant Gram negative infections.
Octahydro-6-hydroxy-7-methyl-1-oxocyclopenta[c]pyran-4-carboxylic acid
(3S,4R,5R,7S,8S,9S)-8,11-epoxy-7-hydroxy-3-methoxydihyronepetalactone|jatamanin I
1-Hydroxy-6-isopropyl-3-[2-(methylthio)-ethyl]-2(1H)-pyazinone
(1R,4S,4aS,7aS)-4,7-Dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one|1beta-methoxygardendiol
rel-(2S,3R)-3-(3-hydroxy-5-methoxyphenyl)-3-methoxypropane-1,2-diol
(2S)-4-(2,2-dimethyl-5-oxotetrahydrofuran-3-yl)-2-hydroxypent-3-anoic acid|dasycarpus acid
dihydro-3-hydroxy-4-(hydroxymethyl)-3-(1-hydroxy-hexa-2,4-dien-1-yl)-2(3H)-furanone
1-beta-Hydroxydihydrocornin aglycone/ 1alpha-Hydroxydihydrocornin aglycone
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one
6-(3-hydroxybutan-2-yl)-5-(hydroxymethyl)-4-methoxypyran-2-one
Pro-Hyp
A dipeptide composed of L-proline and L-hydroxyproline residues. It is a biomarker for bone collagen degradation.
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based on: CCMSLIB00000845037]
6-[(1S,2R)-1,2-dihydroxypentyl]-4-methoxypyran-2-one [IIN-based: Match]
5-Pyrimidinecarboxylicacid,1,2,3,4-tetrahydro-6-methyl-4-(1-methylethyl)-2-thioxo-,methylester(9CI)
3-(3-aminophenyl)-N,N-dimethylpropanamide(SALTDATA: 2HCl)
Methyl 1-(1-Methoxy-1,3-dioxopropan-2-yl)cyclopentane-1-carboxyl
Urea, N-(1,1-dimethylethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)- (9CI)
2-[2-(2,4-difluorophenyl)-2-propen-1-yl]-1,3-propanediol
ethyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
Tocainide hydrochloride
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium,nitrate
1,2-Pyridazinedicarboxylicacid, 3,6-dihydro-, 1,2-diethyl ester
2-(5-CHLOROPENT-1-YN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
Thiobutabarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
2-Amino-N,N-dimethyl-3-phenylpropanamidehydrochloride
Thiourea, N-cyclopropyl-N-(3-ethyl-2-oxo-1-imidazolidinyl)- (9CI)
N-(2,6-dimethylphenyl)-2-(methylamino)acetamide,hydrochloride
(3aR,5S,6S,6aR)-6-[[(3aR,5S,6S,6aR)-6-hydroxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1-cyclohexane]-5-yl]-hydroxymethoxy]spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1-cyclohexane]-5-carbaldehyde
2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid
ATPA is a selective glutamate receptor GluR5 activator with EC50s of 0.66, 9.5, 1.4, 23, 32, 18, and 14 μM for GluR5wt, GluR5(S741M), GluR5(S721T), GluR5(S721T, S741M), GluR5(S741A), GluR5(S741L), and GluR5(S741V), respectively[1].
3-Imino-1,5,5-trimethyl-2-oxabicyclo[2.2.1]heptane-4,7,7-tricarbonitrile
(3S,8aS)-3-(2-methylsulfanylethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
(2S)-2-Amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diol
5-(Hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-6-YL)pentanal
4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
(2S)-3-Hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
3-(2,4-dimethyl-6-oxo-3H-pyran-2-yl)-2-hydroxy-2-methylpropanoic acid
N-(3,4-dihydro-2H-pyrrol-5-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
Pro-Hyp zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Pro-Hyp. Major species at pH 7.3.
6-[(1r,3r)-1,3-dihydroxypentyl]-4-methoxypyran-2-one
5-[(1r,2s)-1,2-dihydroxybutyl]-4-methoxy-6-methylpyran-2-one
4,6,7-trihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]decan-1-one
(2s)-3-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,2-diol
(2r)-2-amino-4-{[(2s)-3-methyl-2,5-dihydrofuran-2-yl]-c-hydroxycarbonimidoyl}butanoic acid
(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
{"Ingredient_id": "HBIN003123","Ingredient_name": "(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C11H16O5","Ingredient_Smile": "COC1C2C(CC=C2CO)C(C(=O)O1)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6037","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,4s,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
{"Ingredient_id": "HBIN003135","Ingredient_name": "(1r,4s,4as,7as)-4,7-dihydroxymethyl-1-methoxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C11H16O5","Ingredient_Smile": "COC1C2C(CC=C2CO)C(C(=O)O1)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6038","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
