Exact Mass: 218.0361
Exact Mass Matches: 218.0361
Found 500 metabolites which its exact mass value is equals to given mass value 218.0361,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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)
Liqcoumarin
Liqcoumarin is found in herbs and spices. Liqcoumarin is isolated from Glycyrrhiza glabra (licorice
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).
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-Naphthalenecarboxylic acid, 4-hydroxy-5-methoxy-
Metallibure
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
(+-)-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
4H-1-Benzopyran-4-one, 5-acetyl-7-hydroxy-2-methyl-
2-Naphthalenecarboxylic acid, 5-hydroxy-4-methoxy-
7-acetoxy-8-methyl-2H-chromen-2-one|7-acetoxy-8-methyl-chromen-2-one|7-Acetoxy-8-methyl-cumarin
(2E)-3-(5-methoxybenzofuran-6-yl)prop-2-enoic acid|lenceolune C
1,8-dihydroxy-2,3-dihydro-1H-cyclopenta[b]chromen-9-one
3-(3-chloroprop-1-yn-1-yl)-1H-isochromen-1-one|gymnopalyne A
(5S)-5-(1,8-dihydroxyocta-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|1,8-dihydroxy-3,4-dihydrovernoniyne
(4S,5R)-4-hydroxy-5-(8-hydroxyocta-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|4,8-dihydroxy-3,4-dihydrovernoniyne
2,8-Decadiene-4,6-diynedioic acid-Di-Me ester|Deca-2,8-dien-4,6-diindisaeure-dimethylester|deca-2,8-diene-4,6-diynedioic acid dimethyl ester|Deca-2t,8t-dien-4,6-diindisaeure-dimethylester|deca-2t,8t-diene-4,6-diynedioic acid dimethyl ester|Decadien-2,8-diin-4,6-disaeure-1,10-dimethylester
2-Methyl-3-(hydroxymethyl)-5-hydroxy-1,4-naphthoquinone
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.
Chlorophene
CONFIDENCE Reference Standard (Level 1); Source chlorophene_28102013_09_HCD70.txt
C11H7ClN2O_3-(4-Chloro-1,3-oxazol-5-yl)-1H-indole
4-Methylumbelliferyl acetate
An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.
(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-
Propanedioic acid,2-(3-phenyl-2-propen-1-ylidene)-
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
(1R,2R,4R)-2-BROMO-1-ISOPROPYL-4-METHYLCYCLOHEXANE
Ethanone, 2,2,2-trifluoro-1-(4-methoxy-3-methylphenyl)- (9CI)
2,4,5-trimethylbenzenesulfonyl chloride(SALTDATA: FREE)
2H-1-Benzopyran-5-carboxylicacid,6-methyl-2-oxo-,methylester(9CI)
4-Chloro-2-(tert-Butylamino)-5-thiazolecarboxaldehyde
2-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-3H-QUINAZOLIN-4-ONE
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
3-AMINO-3-(2,4,5-TRIFLUORO-PHENYL)-PROPIONIC ACID AMIDE
5-Amino-3-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
Methanesulfonic acid,1,1,1-trifluoro-, 1,2-dimethyl-1-propen-1-yl ester
5,6-DIHYDRO-9-METHOXY-7H-FURO[3,2-G][1]BENZOPYRAN-7-ONE
(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
SODIUM (2S,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-THIOLATE
2,3-Dihydro-5-chloro-1H-cyclopenta[b]quinolin-9-amine
4-Chloro-7-hydroxy-6-methyl-3-quinolinecarbonitrile
3-HYDROXY-4-(METHYLTHIO)-[1,1-BIPHENYL]-4-CARBALDEHYDE
DIMETHYL 4-OXOTETRAHYDROTHIOPHENE-2,3-DICARBOXYLATE
Propanenitrile,3-[1-(2-benzothiazolyl)hydrazino]-(9CI)
2-[4-(4,5-Dihydro-1,3-thiazol-2-yl)phenoxy]acetonitrile
Thiazolo[5,4-g]quinolin-6(5H)-one, 7,8-dihydro-2-methyl- (9CI)
ETHYL 4-AMINO-2-(METHYLTHIO)THIAZOLE-5-CARBOXYLATE
N-[(2-chlorophenyl)methyl]pyridin-2-amine,dihydrochloride
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)
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
3-[1-(1,3-BENZOTHIAZOL-2-YL)HYDRAZINO]-PROPANENITRILE
(3R)-(+)-3-(Trifluoroacetamido)pyrrolidine Hydrochloride
1,4-Dioxane-2,5-dione;1,3-dioxan-2-one
D001697 - Biomedical and Dental Materials
(2Z,4E)-2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
Isochavicinic acid
Piperic acid, also known as piperate, is a member of the class of compounds known as benzodioxoles. Benzodioxoles are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Piperic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Piperic acid can be found in herbs and spices and pepper (spice), which makes piperic acid a potential biomarker for the consumption of these food products. Piperic acid is a chemical often obtained by the base-hydrolysis of the alkaloid piperine from black pepper, followed by acidification of the corresponding salt. Piperic acid is an intermediate in the synthesis of other compounds such as piperonal, and as-such may be used to produce fragrances, perfumes flavorants and drugs as well as other useful compounds .
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.
O-succinyl-L-homoserinate(1-)
An alpha-amino-acid anion that is the conjugate base of O-succinyl-L-homoserine having anionic carboxy groups and a protonated amino group; major species at pH 7.3.
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.
2,2,3-trihydroxydiphenyl ether
Diphenyl ether in which the hydrogens at the 2, 3, and 2 positions are substituted by hydroxy groups.
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.
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.
(E,E)-Piperic Acid
A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum).
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
(2e,4z)-4,8-dichloro-3,7-dimethylocta-2,4,6-trienal
3-(1-benzofuran-4-yl)-2-methyloxirane-2-carboxylic acid
1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-1-oxobutan-2-yl-acetate
{"Ingredient_id": "HBIN002060","Ingredient_name": "1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-1-oxobutan-2-yl-acetate","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "COC1=C(C2=C(C=C1)C=CC(=O)O2)CC=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39514","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-ethoxy juglone
{"Ingredient_id": "HBIN008514","Ingredient_name": "3-ethoxy juglone","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "CCOC1=CC(=O)C2=C(C1=O)C(=CC=C2)O","Ingredient_weight": "218.2 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40031","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15399877","DrugBank_id": "NA"}
5-acetyl-7-hydroxy-2-methylbenzopyran-γ-one
{"Ingredient_id": "HBIN011363","Ingredient_name": "5-acetyl-7-hydroxy-2-methylbenzopyran-\u03b3-one","Alias": "NA","Ingredient_formula": "C12H10O4","Ingredient_Smile": "CC1=CC(=O)C2=C(O1)C=C(C=C2C(=O)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14147","TCMID_id": "423","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
