Exact Mass: 188.0086
Exact Mass Matches: 188.0086
Found 500 metabolites which its exact mass value is equals to given mass value 188.0086,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
1-Hydroxy-2-naphthoic acid
1-Hydroxy-2-naphthoic acid is an endogenous metabolite.
Plumbagin
Plumbagin, also known as 5-hydroxy-2-methyl-1,4-naphthoquinone or 2-methyljuglone, is a member of the class of compounds known as naphthoquinones. Naphthoquinones are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone). Plumbagin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Plumbagin can be found in black walnut, common walnut, japanese persimmon, and persimmon, which makes plumbagin a potential biomarker for the consumption of these food products. Plumbagin is named after the plant genus Plumbago, from which it was originally isolated. It is also commonly found in the carnivorous plant genera Drosera and Nepenthes. It is also a component of the black walnut drupe . D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D006401 - Hematologic Agents > D000925 - Anticoagulants D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents D007155 - Immunologic Factors Plumbagin (2-Methyljuglone) is a naphthoquinone isolated from Plumbago zeylanica, exhibits anticancer and antiproliferative activities[1]. Plumbagin (2-Methyljuglone) is a naphthoquinone isolated from Plumbago zeylanica, exhibits anticancer and antiproliferative activities[1].
(Z)-But-1-ene-1,2,4-tricarboxylate
This compound belongs to the family of Tricarboxylic Acids and Derivatives. These are organic compounds containing three carboxylic acid groups (or salt/ester derivatives thereof).
cis-2-Methylaconitate
cis-2-Methylaconitate is produced due to the dehydration of 2-methylcitrate in 2-methylcitric acid cycle. The cycle is catalyzed by a cofactor-less (PrpD) enzyme or by an aconitase-like (AcnD) enzyme. (PMID: 17567742) [HMDB]. cis-2-Methylaconitate is found in many foods, some of which are new zealand spinach, cauliflower, rocket salad, and pepper (c. chinense). cis-2-Methylaconitate is produced due to the dehydration of 2-methylcitrate in 2-methylcitric acid cycle. The cycle is catalyzed by a cofactor-less (PrpD) enzyme or by an aconitase-like (AcnD) enzyme. (PMID: 17567742). cis-2-Methylaconitate has been found to be a microbial metabolite (ECMDB).
3-Hydroxy-2-naphthoate
CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4370; ORIGINAL_PRECURSOR_SCAN_NO 4369 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4410; ORIGINAL_PRECURSOR_SCAN_NO 4409 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4389; ORIGINAL_PRECURSOR_SCAN_NO 4388 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4390; ORIGINAL_PRECURSOR_SCAN_NO 4389 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8941; ORIGINAL_PRECURSOR_SCAN_NO 8939 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9011; ORIGINAL_PRECURSOR_SCAN_NO 9007 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4419; ORIGINAL_PRECURSOR_SCAN_NO 4418 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8996; ORIGINAL_PRECURSOR_SCAN_NO 8992 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8968; ORIGINAL_PRECURSOR_SCAN_NO 8964 CONFIDENCE standard compound; INTERNAL_ID 846; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4369; ORIGINAL_PRECURSOR_SCAN_NO 4368
2-Chloro-5-methyl-cis-dienelactone
This compound belongs to the family of Butenolides. These are dihydrofurans with a carbonyk group at the C2 carbon atom.
3-Chloro-2-methyldienelactone
This compound belongs to the family of Butenolides. These are dihydrofurans with a carbonyk group at the C2 carbon atom.
p-Cresol sulfate
p-Cresol sulfate is a microbial metabolite that is found in urine and likely derives from secondary metabolism of p-cresol. It appears to be elevated in the urine of individuals with progressive multiple sclerosis (PMID:10775436). p-Cresol sulfate is the major component of urinary MBPLM (myelin basic protein-like material). p-Cresol sulfate is a small protein-bound molecule that is poorly cleared with dialysis. It has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID:22626821). Uremic toxins include other low-molecular-weight compounds such as indoxyl sulfate, 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid, and asymmetric dimethylarginine (PMID:18941347). It has also been linked to cardiovascular disease and oxidative injury. Higher levels are associated with overgrowth of intestinal bacteria from Clostridia species, including C. difficile. p-Cresol is generated by the partial breakdown of tyrosine and phenylalanine by a wide range of intestinal obligate or facultative anaerobes, including the genera Bacteroides, Lactobacillus, Enterobacter, Bifidobacterium, and especially Clostridium (PMID:2394806). p-Cresol sulfate is a microbial metabolite that is found in urine and likely derives from secondary metabolism of p-cresol. It appears to be elevated in the urine of individuals with progressive multiple sclerosis (PMID: 10775436). p-Cresol sulfate is the major component of urinary MBPLM (myelin basic protein-like material). p-Cresol sulfate is a small protein-bound molecule that is poorly cleared with dialysis and is often considered to be a uremic toxin. Uremic toxins include low-molecular-weight compounds such as indoxyl sulfate, p-cresol sulfate, 3-carboxy-4-methyl-5-propyl-2-furanpropionic acid and asymmetric dimethylarginine (PMID: 18941347). It has been linked to cardiovascular disease and oxidative injury. [HMDB] p-Cresol sulfate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3233-58-7 (retrieved 2024-07-01) (CAS RN: 3233-58-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). p-Cresyl Sulfate, a major uremic toxin derived from the metabolites of tyrosine and phenylalanine through liver, existed in the blood of patients with chronic kidney disease (CKD).
Isoplumbagin
Isoplumbagin is found in nuts. Isoplumbagin is a constituent of Juglans regia (walnut) and Juglans nigra (black walnut). Constituent of Juglans regia (walnut) and Juglans nigra (black walnut). Isoplumbagin is found in nuts.
Perflutren
Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, is comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. When exposed to ultrasound waves, the microspheres resonate and echo strong signals back to the ultrasound machine. The difference in density between the gas-filled bubbles and the blood around them creates an increased level of contrast visible in the resulting ultrasound image. During echocardiography, activated Perflutren enhances images of the inner edges or borders of the heart, producing an improved image that may enable physicians to better diagnose patients. Perflutren, a diagnostic drug that is intended to be used for contrast enhancement during the indicated echocardiographic procedures, comprised of lipid-coated microspheres filled with octafluoropropane(OFP) gas. It provide contrast enhancement of the endocardial borders during echocardiography. The perflutren lipid microspheres exhibit lower acoustic impedance than blood and enhance the intrinsic backscatter of blood. Albumin is found in brazil nut, common wheat, and ginger.
Furfuryl propyl disulfide
Furfuryl propyl disulfide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Benzyl sulfate
Benzyl sulfate is a constituent of various plant species. Flavour component
2-Methyl-3-(propyldithio)furan
Meat flavouring ingredient. Meat flavouring ingredient
o-Cresol sulfate
o-Cresol sulfate, also known as o-tolyl sulfate or 2-methylphenyl hydrogen sulfate, belongs to the class of organic compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. o-Cresol sulfate is a uremic toxin (PMID: 30087103).
2-(Sec-butyldisulfanyl)-1h-imidazole
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
4',5'-Dihydropsoralen
4,5-dihydropsoralen is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. 4,5-dihydropsoralen is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4,5-dihydropsoralen can be found in fig, which makes 4,5-dihydropsoralen a potential biomarker for the consumption of this food product.
Potassium bitartrate
Obtained from sediment in wine manuf. It is used in food processing as a nutrient, pH control agent and leavening agent. Potassium bitartrate can be used with white vinegar to make a paste-like cleaning agent. It is a vital ingredient in Play-Doh and gingerbread house icing. This mixture is sometimes mistakenly made with vinegar and sodium bicarbonate (baking soda), which actually react to neutralise each other, creating carbon dioxide and a sodium acetate solution.; Potassium bitartrate, also known as potassium hydrogen tartrate, has formula KC4H5O6. It is a byproduct of winemaking. In cooking it is known as cream of tartar. It is the potassium acid salt of tartaric acid, a carboxylic acid. Potassium bitartrate is found in common grape. obtained from sediment in wine manuf. It is used in food processing as a nutrient, pH control agent and leavening agent
p-Cresol sulfate
p-Cresyl Sulfate, a major uremic toxin derived from the metabolites of tyrosine and phenylalanine through liver, existed in the blood of patients with chronic kidney disease (CKD).
Plumbagin
Plumbagin is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. It has a role as a metabolite, an immunological adjuvant, an anticoagulant and an antineoplastic agent. It is a member of phenols and a hydroxy-1,4-naphthoquinone. Plumbagin is a compound investigated for its anticancer activity. It has been found that it inactivates the Akt/NF-kB, MMP-9 and VEGF pathways. Plumbagin is a natural product found in Drosera slackii, Diospyros hebecarpa, and other organisms with data available. Synthetic Plumbagin PCUR-101 is a synthetic form of the plant-derived medicinal agent, plumbagin, with potential antineoplastic activity. Plumbagin may act by inhibiting the expression of protein kinase C epsilon (PKCe), signal transducers and activators of transcription 3 phosphorylation (Stat3), protein kinase B (AKT), and certain epithelial-to-mesenchymal transition (EMT) markers, including vimentin and slug. This results in possible inhibition of proliferation in susceptible tumor cells. PKCe, Stat3, AKT, and the EMT markers vimentin and slug have been linked to the induction and progression of prostate cancer. A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor D020011 - Protective Agents > D002316 - Cardiotonic Agents D006401 - Hematologic Agents > D000925 - Anticoagulants D000970 - Antineoplastic Agents D002317 - Cardiovascular Agents D007155 - Immunologic Factors relative retention time with respect to 9-anthracene Carboxylic Acid is 0.955 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.957 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.960 Plumbagin (2-Methyljuglone) is a naphthoquinone isolated from Plumbago zeylanica, exhibits anticancer and antiproliferative activities[1]. Plumbagin (2-Methyljuglone) is a naphthoquinone isolated from Plumbago zeylanica, exhibits anticancer and antiproliferative activities[1].
Lawsone methyl ether
A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis. Lawsone methyl ether (2-Methoxy-1,4-naphthoquinone), isolated from Impatiens balsamina L. and Swertia calycina, exhibits potent antifungal and antibacterial activities[1]. Lawsone methyl ether (2-Methoxy-1,4-naphthoquinone), isolated from Impatiens balsamina L. and Swertia calycina, exhibits potent antifungal and antibacterial activities[1].
2,4-Diaminobenzenesulfonic acid
CONFIDENCE standard compound; INTERNAL_ID 2788 CONFIDENCE standard compound; INTERNAL_ID 8657 CONFIDENCE standard compound; INTERNAL_ID 8097
Me ester-(E)-10-Hydroxy-8-decene-2,4,6-triynoic acid
10-Hydroxy-dec-2t-en-4,6,8-triin-1-saeure-methylester|10-Hydroxy-dec-2t-en-4,6,8-triinsaeure-methylester|10-hydroxy-dec-2t-ene-4,6,8-triynoic acid methyl ester|10-Hydroxy-decen-(2t)-triyn-(4,6,8)-saeure-(1)-methylester|10-Hydroxydec-trans-2-en-4,6,8-triinsaeuremethylester|Me-ester-(E)-10-Hydroxy-2-decene-4,6,8-triynoic acid
4,5-Dihydropsoralen
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Gallicum acidum
See also: Gallic Acid (has active moiety) ... View More ... Gallic acid (3,4,5-Trihydroxybenzoic acid) hydrate is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid hydrate has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2]. Gallic acid (3,4,5-Trihydroxybenzoic acid) hydrate is a natural polyhydroxyphenolic compound and an free radical scavenger to inhibit cyclooxygenase-2 (COX-2)[1]. Gallic acid hydrate has various activities, such as antimicrobial, antioxidant, antimicrobial, anti-inflammatory, and anticance activities[2].
Triglochinic acid
Triglochinic acid is a monomeric compound isolated from tubers of Pinellia pedatisecta Schott[1].
p-Cresol sulfate
An aryl sulfate that is p-cresol in which the phenolic hydrogen has been replaced by a sulfo group. p-Cresyl Sulfate, a major uremic toxin derived from the metabolites of tyrosine and phenylalanine through liver, existed in the blood of patients with chronic kidney disease (CKD).
p-Cresylsulphate
p-Cresyl Sulfate, a major uremic toxin derived from the metabolites of tyrosine and phenylalanine through liver, existed in the blood of patients with chronic kidney disease (CKD).
3-(chloromethyl)-5-(tetrahydrofuran-2-yl)-1,2,4-oxadiazole(SALTDATA: FREE)
Pyrrolo[1,2-a]thieno[3,2-e]pyrazine, 5-methyl- (9CI)
methyl 5-(chloromethyl)-2-methylfuran-3-carboxylate
2-(4-CHLORO-3-METHYL-1H-PYRAZOL-1-YL)PROPANOIC ACID
methyl 4-(chloromethyl)-5-methylfuran-2-carboxylate
5-chloro-2-oxobicyclo[2.2.1]heptane-7-carboxylic acid
5-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid ethyl ester
1-(4-amino-2-methylsulfanyl-1,3-thiazol-5-yl)ethanone
2-HYDROXY-4-(TRIFLUOROMETHYL)PYRIDINE-3-CARBONITRILE
hydroxy-(4-methylphenyl)-oxo-sulfanylidene-λ6-sulfane
Thiazolo[3,2-a]benzimidazole, 3-methyl- (7CI,8CI,9CI)
Pyrrolo[1,2-a]thieno[2,3-e]pyrazine, 5-methyl- (9CI)
3-Quinolinecarbonitrile, 7-fluoro-1,4-dihydro-4-oxo-
4-Thiazolecarboxylicacid,2-(acetylamino)-4,5-dihydro-(9CI)
5-Thiazolecarboxylicacid, 2-amino-4,5-dihydro-4-oxo-, ethyl ester
BENZENECARBOXIMIDAMIDE,2-CHLORO-4-FLUORO-N-HYDROXY-
5-Thiazolecarboxylicacid, 2-amino-4-hydroxy-, ethyl ester
N-(2-aminoethyl)-N-methylmethanesulfonamide(SALTDATA: HCl)
3-(5-OXO-2-THIOXO-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
Ethanol,2-[(2-amino-6-chloro-4-pyrimidinyl)amino]-
7H-Pyrrolo[2,3-g]benzothiazol-7-one,6,8-dihydro-(9CI)
(5-ETHYL-[1,3,4]OXADIAZOL-2-YLSULFANYL)-ACETIC ACID
2-amino-4-(trifluoromethyl)pyrimidine-5-carbonitrile
1,4-Dichloro-6,7-dihydro-5H-cyclopenta[d]pyridazine
1,2-Diamino-4,5-methylenedioxybenzene,dihydrochloride
4-Chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxylic acid
Potassium acid tartrate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12B - Potassium > A12BA - Potassium
(2E)-2-(3-chloro-4-methyl-5-oxofuran-2-ylidene)acetic acid
(2Z)-2-chloro-2-(4-methyl-5-oxofuran-2-ylidene)acetic acid
(2E)-2-(4-chloro-3-methyl-5-oxofuran-2-ylidene)acetic acid
cis-2-Methylaconitate
A tricarboxylic acid comprising (Z)-but-2-ene having the three carboxy groups at the 1-, 2- and 3-positions.
citrate(4-)
A citrate anion obtained by deprotonation of the three carboxy groups as well as the hydroxy group of citric acid.
gamma-carboxy-L-glutamate(3-)
An L-alpha amino acid anion obtained by the deprotonation of the three carboxy groups of gamma-carboxy-L-glutamic acid.
Potassium bitartrate
An organic potassium salt of L-tartaric acid. It is a by-product of winemaking and occurs naturally in grapes, the major fruit used to produce wine.
