Exact Mass: 218.0109
Exact Mass Matches: 218.0109
Found 500 metabolites which its exact mass value is equals to given mass value 218.0109,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5-Sulfosalicylic acid
5-Sulfosalicylic acid is a derivative of salicylic acid, a common anti-inflammatory drug.Sulfosalicylic acid is used in urine tests to determine urine protein content. The chemical causes the precipitation of dissolved proteins, which is measured from the degree of turbidity. It is also used for integral colour anodizing. -Wikipedia [HMDB] 5-Sulfosalicylic acid is a derivative of salicylic acid, a common anti-inflammatory drug. Sulfosalicylic acid is used in urine tests to determine urine protein content. The chemical causes the precipitation of dissolved proteins, which is measured from the degree of turbidity. It is also used for integral colour anodizing. -Wikipedia. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
4-Methylumbelliferyl acetate
Isolated from fenugreek (Trigonella foenum-graecum). 4-Methylumbelliferyl acetate is found in herbs and spices, green vegetables, and fenugreek. 4-Methylumbelliferyl acetate is found in fenugreek. 4-Methylumbelliferyl acetate is isolated from fenugreek (Trigonella foenum-graecum).
Baldrinal
Baldrinal is an arenecarbaldehyde. Baldrinal is a natural product found in Nardostachys jatamansi, Valeriana officinalis, and other organisms with data available. Baldrinal is derived from the extracts of valerian rhizomes and roots, inhibits autonomic activity, and has anti-inflammatory effects[1].
2,7-dihydroxy-5-methyl-1-naphthoic acid
A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group.
Piperic acid
obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others. Piperic acid is found in herbs and spices and pepper (spice). Piperic acid is found in herbs and spices. Piperic acid is obtained from black pepper (Piper nigrum), from Minthostachys verticillata, peppermint (Mentha piperita) and others.
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone
8-Hydroxy-2-methoxy-6-methyl-1,4-naphthoquinone is found in fruits. Root constituent of Diospyros kaki (Japanese persimmon) Scabies is a common, highly pruritic infestation of the skin caused by Sarcoptes scabiei (lice). It is a very contagious condition with specific lesions, such as burrows, and nonspecific lesions, such as papules, vesicles and excoriations. The typical areas of the body it affects are finger webs, scalp (hair), wrists, axillary folds, abdomen, buttocks, inframammary folds and genitalia (males). It is characterized by intense night-time itching. Scabies is spread through close personal contact (relatives, sexual partners, schoolchildren, chronically ill patients and crowded communities). Scabies infestations and the corresponding symptoms can be eliminated by killing the scabies with topical insecticides or scabicides. Lindane is a scabicide that is essentially and organochloride insecticide Root constituent of Diospyros kaki (Japanese persimmon)
Diphenyl disulfide
Diphenyl disulfide is a flavouring ingredient Diphenyl disulfide is the chemical compound with the formula [C6H5S]2. This colorless crystalline material is often abbreviated Ph2S2. It is one of the most popular organic disulfides used in organic synthesis. Minor contamination by thiophenol is responsible for the disagreeable odour associated with this compound Flavouring ingredient
(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol
(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol is found in fats and oils. (E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol is isolated from Carthamus tinctorius (safflower). Isolated from Carthamus tinctorius (safflower). (E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol is found in fats and oils and herbs and spices.
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole
3-(Isothiocyanatomethyl)-1-methoxy-1H-indole is found in brassicas. Intermediate in the enzymic hydrolysis of 3-Indolylmethyl glucosinolate
Tyrosol 4-sulfate
Tyrosol 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
3-hydroxybenzoic acid-3-O-sulphate
3-hydroxybenzoic acid-3-O-sulphate is a conjugate of 3-hydroxybenzoic acid and sulphate. 3-Hydroxybenzoic acid is a monohydroxybenzoic acid. 3-Hydroxybenzoic acid can be formed by a Pseudomonas species from 3-chlorobenzoic acid. (Wikipedia)
4-hydroxybenzoic acid-4-O-sulphate
4-hydroxybenzoic acid-4-O-sulphate is a conjugate of 4-hydroxybenzoic acid and sulphate. 4-phenylbutyric acid is a monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the γ-globin gene and affects hPPARγ activation. (CHEBI:41500) 4-hydroxybenzoic acid 4-o-sulphate, also known as 4-sulfooxybenzoic acid, is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 4-hydroxybenzoic acid 4-o-sulphate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 4-hydroxybenzoic acid 4-o-sulphate can be found primarily in urine.
4-Methylcatechol sulfate
2,1,3-Benzoxadiazole-4-sulfonic acid, 7-fluoro-
1-(3,4-Dichlorophenyl)-3-methylurea
CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4070; ORIGINAL_PRECURSOR_SCAN_NO 4067 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4107; ORIGINAL_PRECURSOR_SCAN_NO 4104 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4080; ORIGINAL_PRECURSOR_SCAN_NO 4078 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4066; ORIGINAL_PRECURSOR_SCAN_NO 4064 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8694; ORIGINAL_PRECURSOR_SCAN_NO 8693 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8700; ORIGINAL_PRECURSOR_SCAN_NO 8699 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8691; ORIGINAL_PRECURSOR_SCAN_NO 8688 CONFIDENCE standard compound; INTERNAL_ID 187; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8713; ORIGINAL_PRECURSOR_SCAN_NO 8709
clorofene
D000890 - Anti-Infective Agents CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5300; ORIGINAL_PRECURSOR_SCAN_NO 5299 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5273; ORIGINAL_PRECURSOR_SCAN_NO 5268 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5197; ORIGINAL_PRECURSOR_SCAN_NO 5193 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5224; ORIGINAL_PRECURSOR_SCAN_NO 5220 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5222; ORIGINAL_PRECURSOR_SCAN_NO 5220 CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5298; ORIGINAL_PRECURSOR_SCAN_NO 5296 DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5298; CONFIDENCE standard compound; INTERNAL_ID 606; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_PRECURSOR_SCAN_NO 5296 CONFIDENCE standard compound; INTERNAL_ID 2366 CONFIDENCE standard compound; INTERNAL_ID 4230 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8634 CONFIDENCE standard compound; INTERNAL_ID 8140
Diphenyl sulfone
A sulfone compound having two S-phenyl substituents. It has been found in plants like Gnidia glauca and Dioscorea bulbifera.
(+-)-2-Chlor-trideca-3t,11t-dien-5,7,9-triin-1-ol|(+-)-2-chloro-trideca-3t,11t-diene-5,7,9-triyn-1-ol|(-)-2-Chlor-trideca-3t,11t-dien-5,7,9-triin-1-ol|(-)-2-chloro-trideca-3t,11t-diene-5,7,9-triyn-1-ol|2-chloro-trideca-3t,11t-diene-5,7,9-triyn-1-ol
3-(3-chloroprop-1-yn-1-yl)-1H-isochromen-1-one|gymnopalyne A
Sodium_gluconate
Sodium gluconate is an organic sodium salt having D-gluconate as the counterion. It has a role as a chelator. It contains a D-gluconate. Sodium Gluconate is the sodium salt of gluconic acid with chelating property. Sodium gluconate chelates and forms stable complexes with various ions, preventing them from engaging in chemical reactions. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor.
Diuron-desmonomethyl
CONFIDENCE standard compound; INTERNAL_ID 4001
Diuron-desmethyl
A member of the class of phenylureas that is urea in which a hydrogens attached to one nitrogen is substituted by a methyl group, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. It is a metabolite of diuron. CONFIDENCE standard compound; EAWAG_UCHEM_ID 294
Chlorophene
CONFIDENCE Reference Standard (Level 1); Source chlorophene_28102013_09_HCD70.txt
C11H7ClN2O_3-(4-Chloro-1,3-oxazol-5-yl)-1H-indole
5-Sulfosalicylic acid
An arenesulfonic acid that is benzoic acid substituted by a hydroxy at position C-2 and a sulfo group at C-5.
(E,E)-1-Chloro-3,11-tridecadiene-5,7,9-triyn-2-ol
5-AMINO-1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
4(1H)-Pyrimidinone,2,3-dihydro-5-(phenylmethyl)-2-thioxo-
1H-Imidazole-2-methanol,5-bromo-1-ethyl-4-methyl-(9CI)
1-amino-2-nitroso-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one,hydrochloride
Ethanone, 2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)- (9CI)
2,4,5-trimethylbenzenesulfonyl chloride(SALTDATA: FREE)
4-Chloro-2-(tert-Butylamino)-5-thiazolecarboxaldehyde
Methyl 2-bromo-1-methyl-1H-imidazole-5-carboxylate
7-FLUORO-6-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBONITRILE
5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
4-CHLORO-2-(1,1-DIMETHYLETHYL)-5-MERCAPTO-3(2H)-PYRIDAZINONE
2-Pyridinemethanol,3,5-dimethyl-4-nitro-, hydrochloride
Calcium lactate
A - Alimentary tract and metabolism > A12 - Mineral supplements > A12A - Calcium > A12AA - Calcium
2,4,6-trimethyl-4-phenyl-1,3-dioxane
Fragrance ingredient with a grapefruit-like aroma
1-MERCAPTO[1,2,4]TRIAZOLO[4,3-A]QUINOXALIN-4(5H)-ONE
5-Amino-3-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
Methanesulfonic acid,1,1,1-trifluoro-, 1,2-dimethyl-1-propen-1-yl ester
4-BROMO-N-HYDROXY-1-METHYL-1H-PYRAZOLE-3-CARBOXIMIDAMIDE
(2-sulfanylidene-1,3-oxathiolan-5-yl)methyl 2-methylprop-2-enoate
5-AMINO-1-(2-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
(3S)-(-)-3-(Trifluoroacetamido)pyrrolidine hydrochloride
1-(5-CHLORO-3-CHLOROMETHYL-2-HYDROXY-PHENYL)-ETHANONE
SODIUM (2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-THIOLATE
4-Chloro-7-hydroxy-6-methyl-3-quinolinecarbonitrile
chloro-ethoxy-propylsulfanyl-sulfanylidene-λ5-phosphane
3-HYDROXY-4-(METHYLTHIO)-[1,1-BIPHENYL]-4-CARBALDEHYDE
DIMETHYL 4-OXOTETRAHYDROTHIOPHENE-2,3-DICARBOXYLATE
2-[4-(4,5-Dihydro-1,3-thiazol-2-yl)phenoxy]acetonitrile
Ethanone, 2-chloro-1-(3-chloro-4-methoxyphenyl)- (9CI)
Thiazolo[5,4-g]quinolin-6(5H)-one, 7,8-dihydro-2-methyl- (9CI)
ETHYL 4-AMINO-2-(METHYLTHIO)THIAZOLE-5-CARBOXYLATE
Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonyldichloride, (1R,2R,3R,4S)-rel-
7-CHLORO-3,4-DIHYDRO-2H-BENZO[E][1,2,4]THIADIAZINE 1,1-DIOXIDE
4-Chloro-1-methyl[1,2,4]triazolo[4,3-a]quinoxaline
2,2,2-trifluoro-1-(4-methoxy-2-methylphenyl)ethanone
2-[4-(4-FLUOROPHENYL)-1,3-THIAZOL-2-YL!ACETONITRILE
2-CHLORO-6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE, , HYDROCHLORIDE
Benzylthiouracil
H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BA - Thiouracils
2-[(2-FURYLMETHYL)SULFONYL]-N-HYDROXYETHANIMIDAMIDE
(4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide
3-Pyridinesulfonamide,1-ethoxy-1,2-dihydro-2-oxo-(9CI)
METHYL 5-CHLORO-2-(METHYLTHIO)PYRIMIDINE-4-CARBOXYLATE
2-MERCAPTO-6-METHYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE
2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-amine
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanone
(E)-3-(2-chloro-3,6-difluorophenyl)prop-2-enoic acid
3-[1-(1,3-BENZOTHIAZOL-2-YL)HYDRAZINO]-PROPANENITRILE
5-Chloro-2-(ethylthio)pyrimidine-4-carboxylic acid
(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
METHYL 4-BROMO-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLATE
1,4-Dioxane-2,5-dione;1,3-dioxan-2-one
D001697 - Biomedical and Dental Materials
2,1,3-Benzoxadiazole-4-sulfonic acid, 7-fluoro-
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Sodium gluconate
Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor. Gluconate sodium (D-Gluconic acid sodium salt) is a corrosion and scale inhibitor.
3-hydroxybenzoic acid-3-O-sulphate
3-hydroxybenzoic acid-3-O-sulphate is a conjugate of 3-hydroxybenzoic acid and sulphate. 3-Hydroxybenzoic acid is a monohydroxybenzoic acid. 3-Hydroxybenzoic acid can be formed by a Pseudomonas species from 3-chlorobenzoic acid. (Wikipedia)
4-hydroxybenzoic acid-4-O-sulphate
4-hydroxybenzoic acid-4-O-sulphate is a conjugate of 4-hydroxybenzoic acid and sulphate. 4-phenylbutyric acid is a monocarboxylic acid the structure of which is that of butyric acid substituted with a phenyl group at C-4. It is a histone deacetylase inhibitor that displays anticancer activity. It inhibits cell proliferation, invasion and migration and induces apoptosis in glioma cells. It also inhibits protein isoprenylation, depletes plasma glutamine, increases production of foetal haemoglobin through transcriptional activation of the γ-globin gene and affects hPPARγ activation. (CHEBI:41500)
7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
(2R)-2-acetamido-3-[(S)-prop-2-ene-1-sulfinyl]propanoate
3-(5-Hydroxyindol-3-yl)pyruvate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-(5-hydroxyindol-3-yl)pyruvic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.
Sulfosalicylic Acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3-(Imidazol-4-yl)-2-oxopropyl phosphate(2-)
Dianion of 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3.
(4-methoxyindol-3-ylmethyl)isothiocyanate
A member of the class of indoles that is 1H-indole carrying isothiocyanatomethyl and methoxy substituents at positions 3 and 4 respectively.
4-Nitrophenyl sulfate
An aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 4-nitrophenyl hydrogen sulfate. The major microspecies at pH 7.3.
3-(isothiocyanatomethyl)-1-methoxyindole
A member of the class of indoles that is 1H-indole carrying methoxy and isothiocyanatomethyl substituents at positions 1 and 3 respectively.
4-Ethylcatechol sulfate
9-ethyl-3,3-dioxo-2,4-dioxa-3λ6-thiabicyclo[3.3.1]nona-1(9),5,7-triene-6,7-diol
