Exact Mass: 461.04702460000004

Exact Mass Matches: 461.04702460000004

Found 69 metabolites which its exact mass value is equals to given mass value 461.04702460000004, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

3-Phosphoglycerol-glutathione

3-Phosphoglycerol-glutathione

C13H24N3O11PS (461.0869124)


   

SM-17466

SM-17466

C20H21N4O5S2+ (461.0953316)


D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

   
   

Lactofen

Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester

C19H15ClF3NO7 (461.04891060000006)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate

2,5-Dioxopyrrolidin-1-yl 4-[bis(4-chlorophenyl)methyl]piperazine-1-carboxylic acid

C22H21Cl2N3O4 (461.09090460000004)


   
   

LACTOFEN

Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-ethoxy-1-methyl-2-oxoethyl ester

C19H15ClF3NO7 (461.04891060000006)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

scutellarein 7-O-beta-glucuronamide

scutellarein 7-O-beta-glucuronamide

C21H19NO11 (461.0958064)


   
   
   

Glucosinalbate potassium

Glucosinalbate potassium

C15H20KNO9S2 (461.021653)


   

(6-acetyloxy-5-nitro-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl) acetate

(6-acetyloxy-5-nitro-3-oxospiro[2-benzofuran-1,9-xanthene]-3-yl) acetate

C24H15NO9 (461.07467800000006)


   

dysprosium 2,4-pentanedionate

dysprosium 2,4-pentanedionate

C15H21DyO6 (461.0629896)


   

2-ETHOXY-1-NAPHTHALENECARBOXALDEHYDE

2-ETHOXY-1-NAPHTHALENECARBOXALDEHYDE

C25H20IN (461.064043)


   

TRIS(4-NITROPHENYL) PHOSPHATE

TRIS(4-NITROPHENYL) PHOSPHATE

C18H12N3O10P (461.0260302)


   

Sodium alum

aluminum,sodium,disulfate,dodecahydrate

AlH27NaO20S2 (461.02501920000003)


Food additive in baking powder, firming agent, buffer. May migrate to food from paper/board packaging

   

AZD8330

2-((2-fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)-1,5-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide

C16H17FIN3O4 (461.02478040000005)


C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C69145 - Mitogen-Activated Protein Kinase Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor AZD8330 (ARRY-424704) is a potent, uncompetitive MEK1/MEK2 inhibitor, with an IC50 of 7 nM.

   

9-(4-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate

9-(4-Dimethylaminophenyl)-2,6,7-trihydroxyfluorone Sulfate

C21H19NO9S (461.07804840000006)


   

(-)-Bicuculline methobromide

(-)-Bicuculline methobromide

C21H20BrNO6 (461.04739200000006)


(-)-Bicuculline methobromide (l-Bicuculline methobromide) is a potent GABAA receptor antagonist. (-)-Bicuculline methobromide blocks afterhyperpolarizations (AHPs) mediated by Ca2+-activated K+ channels in various types of neurons[1]. (-)-Bicuculline methobromide (l-Bicuculline methobromide) is a potent GABAA receptor antagonist. (-)-Bicuculline methobromide blocks afterhyperpolarizations (AHPs) mediated by Ca2+-activated K+ channels in various types of neurons[1].

   

[1,2]benzisothiazolo[2,3,4-lma]benzo[h]quinoxalino[2,3-c]carbazole-11,16-dione 9,9-dioxide

[1,2]benzisothiazolo[2,3,4-lma]benzo[h]quinoxalino[2,3-c]carbazole-11,16-dione 9,9-dioxide

C26H11N3O4S (461.04702460000004)


   

3-Hexyl-1,2-dimethyl-1H-imidazol-3-ium bis[(trifluoromethyl)sulfonyl]azanide

3-Hexyl-1,2-dimethyl-1H-imidazol-3-ium bis[(trifluoromethyl)sulfonyl]azanide

C13H21F6N3O4S2 (461.08776180000007)


   
   

ethyl 5-acetoxy-6-broMo-1-Methyl-2-(phenylthioMethyl)-1H-indole-3-carboxylate

ethyl 5-acetoxy-6-broMo-1-Methyl-2-(phenylthioMethyl)-1H-indole-3-carboxylate

C21H20BrNO4S (461.0296340000001)


   
   

(6R,7R)-7-AMINO-3-(IMIDAZO[1,2-B]PYRIDAZIN-1(5H)-YLMETHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID HYDROIODIDE

(6R,7R)-7-AMINO-3-(IMIDAZO[1,2-B]PYRIDAZIN-1(5H)-YLMETHYL)-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID HYDROIODIDE

C14H16IN5O3S (461.0018576)


   

3,6-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9-[9H]xanthen]-3-one

3,6-Bis(acetyloxy)-6-nitrospiro[isobenzofuran-1(3H),9-[9H]xanthen]-3-one

C24H15NO9 (461.07467800000006)


   

(2r)-2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}propene-1-Sulfonamide

(2r)-2-(5-Chloro-2-Thienyl)-N-{(3s)-1-[(1s)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}propene-1-Sulfonamide

C18H24ClN3O5S2 (461.08458440000004)


   

4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide

4-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-3H-benzimidazol-5-yl]oxy]-N-methyl-pyridine-2-carboxamide

C21H15ClF3N5O2 (461.08663160000003)


   

5-O-(L-Alpha-Aspartylsulfamoyl)adenosine

5-O-(L-Alpha-Aspartylsulfamoyl)adenosine

C14H19N7O9S (461.0964924)


Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme. Asp-AMS, an analogue of aspartyl-adenylate, is an aspartyl-tRNA synthetase inhibitor and also a strong competitive inhibitor of the mitochondrial enzyme.

   

2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate

2,5-Dioxopyrrolidin-1-yl 4-(bis(4-chlorophenyl)methyl)piperazine-1-carboxylate

C22H21Cl2N3O4 (461.09090460000004)


   

(E)-2-(4-fluorophenyl)sulfonyl-3-[1-(3-nitrophenyl)sulfonylpyrrol-2-yl]prop-2-enenitrile

(E)-2-(4-fluorophenyl)sulfonyl-3-[1-(3-nitrophenyl)sulfonylpyrrol-2-yl]prop-2-enenitrile

C19H12FN3O6S2 (461.01515440000003)


   
   

[3-(2-Chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

[3-(2-Chloro-6-ethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-thiophen-2-ylmethanone

C25H20ClN3O2S (461.09646900000007)


   

2-({[2,3,5,6-Tetrafluoro-3-(Trifluoromethoxy)biphenyl-4-Yl]amino}carbonyl)cyclopenta-1,3-Diene-1-Carboxylic Acid

2-({[2,3,5,6-Tetrafluoro-3-(Trifluoromethoxy)biphenyl-4-Yl]amino}carbonyl)cyclopenta-1,3-Diene-1-Carboxylic Acid

C20H10F7NO4 (461.0498024000001)


   
   

1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate(2-)

1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate(2-)

C14H24NO14P-2 (461.0934374)


   

Luteolin 7-O-beta-D-Glucuronide

Luteolin 7-O-beta-D-Glucuronide

C21H17O12- (461.0719982)


   
   

3-[[4-(2,6-Difluoro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]aniline

3-[[4-(2,6-Difluoro-4-methoxyphenyl)sulfonyl-1,4-diazepan-1-yl]sulfonyl]aniline

C18H21F2N3O5S2 (461.089064)


   

Cefamandole(1-)

Cefamandole(1-)

C18H17N6O5S2- (461.07018120000004)


A cephalosporin carboxylate anion having (R)-mandelamido and N-methylthiotetrazole side-groups.

   

3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide

3-chloro-4-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-N,N-dimethylbenzenesulfonamide

C18H21ClFN3O4S2 (461.06459880000006)


   

1-[4-Chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)urea

1-[4-Chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)urea

C21H20ClN3O5S (461.0812140000001)


   

2-[(5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide

2-[(5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-fluorophenyl)acetamide

C20H16FN3O7S (461.0692958)


   

3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(phenylsulfonyl)propanehydrazide

3-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(phenylsulfonyl)propanehydrazide

C20H19N3O4S3 (461.0537654000001)


   

2-(2-Chloro-6-fluoro-phenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one

2-(2-Chloro-6-fluoro-phenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one

C25H17ClFN3OS (461.07648340000003)


   

1-(4-Chlorophenyl)-6-[(4-methylphenyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

1-(4-Chlorophenyl)-6-[(4-methylphenyl)methyl]-3-[oxo(thiophen-2-yl)methyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one

C23H16ClN5O2S (461.07131860000004)


   

(5R)-5-(3,5-dichloro-4-fluorophenyl)-3-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole

(5R)-5-(3,5-dichloro-4-fluorophenyl)-3-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-5-yl)-5-(trifluoromethyl)-4H-1,2-oxazole

C19H14BCl2F4NO3 (461.0379872000001)


   

N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

N-(1,3-benzothiazol-2-yl)-4-methylsulfonyl-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C20H19N3O6S2 (461.07152340000005)


   

luteolin 7-O-beta-D-glucosiduronate

luteolin 7-O-beta-D-glucosiduronate

C21H17O12 (461.0719982)


A carbohydrate acid derivative anion that is the conjugate base of luteolin 7-O-beta-D-glucosiduronic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.

   

Phosphoglycerol-glutathione

Phosphoglycerol-glutathione

C13H24N3O11PS (461.0869124)


   

B-Raf IN 2

B-Raf IN 2

C20H17F2N5O4S (461.0969266000001)


B-Raf IN 2 is a potent and selective BRAF inhibitor extracted from patent WO2021116055A1, compound Ia. B-Raf IN 2 can be used for the research of cancer[1].

   

(2r,4s)-5,5-dichloro-2-[(3s)-4,4-dichloro-n,3-dimethylbutanamido]-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid

(2r,4s)-5,5-dichloro-2-[(3s)-4,4-dichloro-n,3-dimethylbutanamido]-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid

C16H23Cl4N3O2S (461.0265018)


   

bicuculine

NA

C21H20BrNO6 (461.04739200000006)


{"Ingredient_id": "HBIN018402","Ingredient_name": "bicuculine","Alias": "NA","Ingredient_formula": "C21H20BrNO6","Ingredient_Smile": "C[N+]1(CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[Br-]","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37015","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

4-(2-{[(4r,5s,6s)-2-carboxy-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-(c-hydroxycarbonimidoylmethyl)pyridin-1-ium

4-(2-{[(4r,5s,6s)-2-carboxy-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]sulfanyl}-1,3-thiazol-4-yl)-1-(c-hydroxycarbonimidoylmethyl)pyridin-1-ium

[C20H21N4O5S2]+ (461.0953316)


   

n-{4-[(3-aminopropyl)amino]butyl}-3-(3,5-dibromo-4-methoxyphenyl)prop-2-enimidic acid

n-{4-[(3-aminopropyl)amino]butyl}-3-(3,5-dibromo-4-methoxyphenyl)prop-2-enimidic acid

C17H25Br2N3O2 (461.031339)


   

(2e)-n-{4-[(3-aminopropyl)amino]butyl}-3-(3,5-dibromo-4-methoxyphenyl)prop-2-enimidic acid

(2e)-n-{4-[(3-aminopropyl)amino]butyl}-3-(3,5-dibromo-4-methoxyphenyl)prop-2-enimidic acid

C17H25Br2N3O2 (461.031339)


   

5,5-dichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid

5,5-dichloro-2-(4,4-dichloro-n,3-dimethylbutanamido)-4-methyl-n-(1,3-thiazol-2-ylmethyl)pentanimidic acid

C16H23Cl4N3O2S (461.0265018)