Exact Mass: 299.9971544
Exact Mass Matches: 299.9971544
Found 177 metabolites which its exact mass value is equals to given mass value 299.9971544,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Tolclofos-methyl
C9H11Cl2O3PS (299.95435660000004)
CONFIDENCE standard compound; INTERNAL_ID 461; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9291; ORIGINAL_PRECURSOR_SCAN_NO 9287 CONFIDENCE standard compound; INTERNAL_ID 461; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9271; ORIGINAL_PRECURSOR_SCAN_NO 9267 CONFIDENCE standard compound; INTERNAL_ID 461; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9337; ORIGINAL_PRECURSOR_SCAN_NO 9333 CONFIDENCE standard compound; INTERNAL_ID 461; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9322; ORIGINAL_PRECURSOR_SCAN_NO 9318 CONFIDENCE standard compound; INTERNAL_ID 461; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9241; ORIGINAL_PRECURSOR_SCAN_NO 9237
Cinnavalininate
Cinnavalininate is an intermediate in the tryptophan metabolic pathway [Kegg: C05640]. It is generated from 3-hydroxyanthranilate via the enzyme catalase (EC:1.11.1.6). [HMDB] Cinnavalininate is an intermediate in the tryptophan metabolic pathway [Kegg: C05640]. It is generated from 3-hydroxyanthranilate via the enzyme catalase (EC:1.11.1.6). Cinnabarinic acid is a specific orthosteric agonist of mGlu4 by interacting with residues of the glutamate binding pocket of mGlu4, has no activity at other mGlu receptors. Cinnabarinic acid is an endogenous metabolite of the kynurenine pathway of tryptophan. Cinnabarinic acid induces cell apoptosis[1].
Demethylwedelolactone
Demethylwedelolactone is a naturally occurring coumestan isolated from Eclipta alba. Demethylwedelolactone is a potent trypsin inhibitor with an IC50 of 3.0 μM. Demethylwedelolactone suppresses cell motility and cell invasion of breast cancer cell[1][2]. Demethylwedelolactone is a naturally occurring coumestan isolated from Eclipta alba. Demethylwedelolactone is a potent trypsin inhibitor with an IC50 of 3.0 μM. Demethylwedelolactone suppresses cell motility and cell invasion of breast cancer cell[1][2].
Indole-2-carboxylic acid, 5-(bis(2-chloroethyl)amino)-
UXN2KXV8BB
Demethylwedelolactone is a member of coumestans. Demethylwedelolactone is a natural product found in Sphagneticola calendulacea, Eclipta alba, and other organisms with data available. Demethylwedelolactone is a naturally occurring coumestan isolated from Eclipta alba. Demethylwedelolactone is a potent trypsin inhibitor with an IC50 of 3.0 μM. Demethylwedelolactone suppresses cell motility and cell invasion of breast cancer cell[1][2]. Demethylwedelolactone is a naturally occurring coumestan isolated from Eclipta alba. Demethylwedelolactone is a potent trypsin inhibitor with an IC50 of 3.0 μM. Demethylwedelolactone suppresses cell motility and cell invasion of breast cancer cell[1][2].
Emodic acid
Emodicacid is a member of anthracenes.
Norwedelolactone
Demethylwedelolactone is a naturally occurring coumestan isolated from Eclipta alba. Demethylwedelolactone is a potent trypsin inhibitor with an IC50 of 3.0 μM. Demethylwedelolactone suppresses cell motility and cell invasion of breast cancer cell[1][2]. Demethylwedelolactone is a naturally occurring coumestan isolated from Eclipta alba. Demethylwedelolactone is a potent trypsin inhibitor with an IC50 of 3.0 μM. Demethylwedelolactone suppresses cell motility and cell invasion of breast cancer cell[1][2].
perfluorobutanesulfonic acid
CONFIDENCE standard compound; INTERNAL_ID 5955 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3675
STA-0DC (TENTATIVE)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; BASE PEAK ARISES FROM CO-ELUTING COMPOUND!!!!!; Extracted (without noise removal) from ZUE_N: mz299_02_rt8_95_HCD60_STA-0DC; CONFIDENCE Tentative identification: best match only (Level 3)
4-Phenyl-5-benzyl-dithiol-(1,2)-thion-(3)|5-Benzyl-4-phenyl-[1,2]dithiol-3-thion|5-benzyl-4-phenyl-[1,2]dithiol-3-thione|5-benzyl-4-phenyl-[1,2]dithiole-3-thione
3-(3-chloro-1,2-dihydroxypropyl)-8-hydroxy-6-methoxyisochromen-1-one
Sodium phosphonatoformate hexahydrate
C471 - Enzyme Inhibitor > C1589 - Reverse Transcriptase Inhibitor > C97453 - Non-nucleoside Reverse Transcriptase Inhibitor D000890 - Anti-Infective Agents > D000998 - Antiviral Agents > D018894 - Reverse Transcriptase Inhibitors D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors C254 - Anti-Infective Agent > C281 - Antiviral Agent
(4-Chlorophenyl)(4-(trifluoromethoxy)phenyl)methanone
C14H8ClF3O2 (300.01648939999995)
1-chloro-4-[(4-chlorophenyl)sulfanylmethylsulfanyl]benzene
3-bromo-4-(2,2-dimethylpropanoyloxy)benzoic acid
C12H13BrO4 (299.99971580000005)
3-bromo-4-(oxan-4-yloxy)benzoic acid
C12H13BrO4 (299.99971580000005)
5-(4-methylphenyl)sulfonyl-2-methylsulfanyl-1,3-thiazol-4-amine
3,6-Di(2-thienyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
1-(2-Bromo-4-nitrophenyl)piperidin-4-ol
C11H13BrN2O3 (300.01094880000005)
Methyl 2-chloro-3-[2-chloro-4-(trifluoromethyl)phenyl]propanoate
C11H9Cl2F3O2 (299.99316699999997)
2-chloro-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
C13H8ClF3N2O (300.02772239999996)
5-exo,6-endo,7-exo,8-endo-5,6,7,8-tetra(chloromethyl)-bicyclo[2.2.2]oct-2-ene
Glycine, N-(carboxymethyl)-N-2-(carboxymethyl)aminoethyl-, trisodium salt
C8H11N2Na3O6 (300.03101860000004)
2-phenyl-3-sulfanylidene-4,6,7,8-tetrahydrocyclopenta[2,3]thieno[2,4-b]pyrimidin-1-one
3-bromo-N,N-diethyl-5-nitrobenzamide
C11H13BrN2O3 (300.01094880000005)
2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethanone,hydrobromide
C11H13BrN2OS (299.99319080000004)
2-NITRO-1-(2-PYRIDYLTHIO)-4-(TRIFLUOROMETHYL)BENZENE
7-chloro-2,4-bis(trifluoromethyl)-1,8-naphthyridine
sodium,4-[2-(4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]benzenesulfonate
2-(Boc-amino)-5-bromoisonicotinaldehyde
C11H13BrN2O3 (300.01094880000005)
((5-Thiazolyl)methyl)-(4-nitrophenyl)carbonate hydrochloride
diethyl 2-bromobenzene-1,4-dicarboxylate
C12H13BrO4 (299.99971580000005)
2-Bromo-4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridine
(6-bromo-1H-pyrrolo[2,3-b]pyridin-1-yl)(phenyl)methanone
methyl 1-(3,4-dichlorophenyl)-4-oxocyclohexane-1-carboxylate
isobromindione
M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AB - Preparations increasing uric acid excretion C26170 - Protective Agent > C921 - Uricosuric Agent
Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl-
2-BENZO[1,3]DIOXOL-5-YL-6-CHLORO-IMIDAZO[1,2-A]PYRIDINE-3-CARBALDEHYDE
ethyl 4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
N-(2-BROMO-6-NITROPHENYL)-N-ISOPROPYLACETAMIDE
C11H13BrN2O3 (300.01094880000005)
3-(1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY)PYRIDIN-2-AMINE
3-ALLYL-5-(3-ETHYL-4-METHYL-2-THIAZOLINYLIDENE)RHODANINE
S-Acetylthioglycolic acidpentafluorophenyl ester
C10H5F5O3S (299.98795600000005)
4-Iodo-1-(phenylMethoxy)-1H-pyrazole
C10H9IN2O (299.97596139999996)
(2-chlorophenyl)-(3,5-dichloro-2-hydroxyphenyl)methanone
(5-BROMO-1,3-PHENYLENE)BIS(TRIMETHYLSILANE)
C12H21BrSi2 (300.03650860000005)
4-HYDROXY-6-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLIC ACID
C12H7F3N2O4 (300.03578980000003)
(R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine
1-(4-Iodo-5-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanone
C10H9IN2O (299.97596139999996)
tert-butyl 5-chloro-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate
oxolan-2-ylmethyl 5-bromo-2-hydroxybenzoate
C12H13BrO4 (299.99971580000005)
1,1,2,2-TETRAFLUORO-2-(1,1,2,2-TETRAFLUOROETHOXY)ETHANESULPHONYL FLUORIDE
4-phenyl-1-(trideuteriomethyl)pyridin-1-ium,iodide
1-[(4-NITROPHENYL)SULFONYL]PYRROLIDINE-2-CARBOXYLIC ACID
C11H12N2O6S (300.04160520000005)
1-[4-(5-bromopentoxy)-2-hydroxyphenyl]ethanone
C13H17BrO3 (300.03609919999997)
2-[3-chloro-4-(trifluoromethyl)phenyl]benzoic acid
C14H8ClF3O2 (300.01648939999995)
2-(4-bromo-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C12H15BBrFO2 (300.03324319999996)
4-CHLORO-3-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
C14H8ClF3O2 (300.01648939999995)
(2S)-1-(3-nitrophenyl)sulfonylproline
C11H12N2O6S (300.04160520000005)
2-Bromomethyl-4-fluorophenylboronic acid neopentyl glycol ester
C12H15BBrFO2 (300.03324319999996)
5-Bromo-2-fluorophenylboronic acid pinacol ester
C12H15BBrFO2 (300.03324319999996)
methyl (2Z,4Z)-5-chloro-2-(chloromethyl)-5-(4-methoxyphenyl)penta-2,4-dienoate
4-(2,3-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-6-METHYL-2-OXO-5-PYRIMIDINECARBOXYLIC
2-(2-NITROPHENYLTHIO)ISOINDOLINE-1,3-DIONE
C14H8N2O4S (300.02047680000004)
2-(1,3,4-Oxadiazol-2-yl)phenyl 4-chlorobenzenecarboxylate
2-chloro-N-[3-[(2-chlorophenyl)methyl]-2-thiazolylidene]acetamide
C12H10Cl2N2OS (299.98908700000004)
3-chloro-N-[5-(3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzamide
6-Hydroxy-11-methyl-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one
5,6-Bis[(2-hydroxyethyl)sulfanyl]benzimidazole-4,7-quinone
3-(3-Chloro-1,2-dihydroxypropyl)-8-hydroxy-6-methoxyisochromen-1-one
2,2-Piperazine-1,4-diylbisethanesulfonate
C8H16N2O6S2-2 (300.04497560000004)
N-acetyl-D-galactosamine 6-O-sulfate
C8H14NO9S- (300.03892540000004)
2-Amino-6-chloro-4-(3-sulfonatoanilino)-1,3,5-triazine
C9H7ClN5O3S- (299.99581220000005)
N-acetyl-D-glucosamine 6-sulfate(1-)
C8H14NO9S- (300.03892540000004)
N-acetyl-beta-D-galactosamine 4-O-sulfate
C8H14NO9S- (300.03892540000004)
alpha-N-acetyl-D-glucosamine 3-sulfate
C8H14NO9S- (300.03892540000004)
N-acetyl-beta-D-galactosamine 6-sulfate(1-)
C8H14NO9S- (300.03892540000004)
3-(3,4-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acrylamide
C12H10Cl2N2OS (299.98908700000004)
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-pyridinecarboxamide
4-[5-(2-Chlorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
6-Oxo-1,6-dihydrodibenzo[cd,g]indazole-3-sulfonic acid
C14H8N2O4S (300.02047680000004)
An arenesulfonic acid that is 1,6-dihydrodibenzo[cd,g]indazole-3-sulfonic acid substituted by an oxo group at position 6.
5-[(6-Hydroxy-4-oxo-1-benzopyran-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
2-[(2,2-dichloro-3,3-dimethylcyclopropyl)methylthio]-1H-benzimidazole
4-(5-(3-Chlorophenyl)-1,2,4-oxadiazol-3-yl)benzoic acid
N3-(4-chlorophenyl)-4-(trifluoromethyl)nicotinamide
C13H8ClF3N2O (300.02772239999996)
5-(Methylsulfanyl)-2-(thiophen-2-yl)-3-(trifluoromethyl)pyridine-4-carbonitrile
Cinnabarinic acid
Cinnabarinic acid is a specific orthosteric agonist of mGlu4 by interacting with residues of the glutamate binding pocket of mGlu4, has no activity at other mGlu receptors. Cinnabarinic acid is an endogenous metabolite of the kynurenine pathway of tryptophan. Cinnabarinic acid induces cell apoptosis[1].
phosphatidylglycerol (18:2/16:1)
A phosphatidylglycerol 34:3 in which the acyl group at position 1 contains 18 carbons and two double bonds while that at position 2 contains 16 carbons and 1 double bond.
6,13-dihydroxy-5-methoxy-2,9-dioxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
3-[(2r)-2-chloro-3-hydroxypropyl]-5,8-dihydroxy-6-methoxyisochromen-1-one
(3r)-7-bromo-6,8-dihydroxy-3-propyl-3,4-dihydro-2-benzopyran-1-one
C12H13BrO4 (299.99971580000005)
(4s,7s)-4,7-bis(2-methylpropyl)-1,2,3,5,6-pentathiepane
7-bromo-6,8-dihydroxy-3-propyl-3,4-dihydro-2-benzopyran-1-one
C12H13BrO4 (299.99971580000005)
4,6,13,14-tetrahydroxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-9-one
(3s,5r,6s)-3-bromo-5-chloro-6-[(1e)-2-chloroethenyl]-2,2,6-trimethyloxane
(3s,5r,6r)-3-bromo-5-chloro-6-[(1e)-2-chloroethenyl]-2,2,6-trimethyloxane
methyl 2-[(4r)-7-bromo-2-methyl-1-oxo-3h,4h-pyrrolo[1,2-a]pyrazin-4-yl]acetate
C11H13BrN2O3 (300.01094880000005)
methyl 2-{7-bromo-2-methyl-1-oxo-3h,4h-pyrrolo[1,2-a]pyrazin-4-yl}acetate
C11H13BrN2O3 (300.01094880000005)
3-bromo-5-chloro-6-[(1e)-2-chloroethenyl]-2,2,6-trimethyloxane
3-(2-chloro-3-hydroxypropyl)-5,8-dihydroxy-6-methoxyisochromen-1-one
7-bromo-6,8-dimethoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
C12H13BrO4 (299.99971580000005)
7-(methyldisulfanyl)-3-phenylcyclohepta[b]furan-2-one
(2r)-2-[(1-hydroxyethylidene)amino]-3-{[(1z)-1-(hydroxyimino)-2-phosphonoethyl]sulfanyl}propanoic acid
C7H13N2O7PS (300.01810780000005)
(3r)-7-bromo-6,8-dimethoxy-3-methyl-3,4-dihydro-2-benzopyran-1-one
C12H13BrO4 (299.99971580000005)