Exact Mass: 428.0587

Exact Mass Matches: 428.0587

Found 128 metabolites which its exact mass value is equals to given mass value 428.0587, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

IDP

[({[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

C10H14N4O11P2 (428.0134)

An inosine nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety. [HMDB] IDP is an inosine nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety. Acquisition and generation of the data is financially supported in part by CREST/JST.

dXDP

C10H14N4O11P2 (428.0134)

fosfestrol

Diethylstilbestrol Diphosphate

C18H22O8P2 (428.079)

L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D000970 - Antineoplastic Agents

Eltanexor

C17H10F6N6O (428.082)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor

Aerugipen

Ticarcillin disodium

C15H14N2O6S2. 2Na (428.0089)

Same as: D02241

Theaflavic acid

3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulene-8-carboxylic acid

C21H16O10 (428.0743)

Epitheaflavic acid is found in tea. Epitheaflavic acid is isolated from black tea Camellia sinensis. Isolated from black tea Camellia sinensis. Epitheaflavic acid is found in tea.

3-Chloro-2-methyl-N-(4-(2-(4-methylpiperazin-1-yl)-2-oxoethyl)thiazol-2-yl)benzenesulfonamide

3-chloro-2-methyl-N-{4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl}benzene-1-sulfonamide

C17H21ClN4O3S2 (428.0744)

(E)-4,4'-(Hex-3-ene-3,4-diyl)bis(4,1-phenylene) bis(dihydrogen phosphate)

(e)-4,4-(Hex-3-ene-3,4-diyl)bis(4,1-phenylene) bis(dihydrogen phosphoric acid)

C18H22O8P2 (428.079)

[4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenyl] phosphono hydrogen phosphate

{[hydroxy({4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy})phosphoryl]oxy}phosphonic acid

C18H22O8P2 (428.079)

CONFIDENCE Transformation product, tentative ID (Level 2b); INTERNAL_ID 2009

CHEMBL3827297

C17H16N8O4S (428.1015)

L-Galacturonic acid calcium salt

C12H20CaO14+2 (428.0479)

C18H20O10S

C18H20O10S (428.0777)

bromosphaerene

C20H30Br2 (428.0714)

CHEMBL516734

C21H16O10 (428.0743)

4-(3,4-Dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carboxylic acid 1,2-dicarboxyethyl ester

C21H16O10 (428.0743)

SCHEMBL6368334

C21H16O10 (428.0743)

CHEMBL477922

C21H16O10 (428.0743)

ACMC-20mczi

C21H16O10 (428.0743)

7-O-beta-D-(6-O-malonyl)glucopyranosyl-5-methoxy-1(3H)-isobenzofuranone

C18H20O12 (428.0955)

C20H30Br2

C20H30Br2 (428.0714)

(-)-3-hydroxy-N-methylwelwitindolinone C isothiocyanate|3-hydroxy-N-methylwelwitindolinone C isothiocyanate

C22H21ClN2O3S (428.0961)

SCHEMBL12228143

C22H20O7S (428.093)

rosratin A|rostratin A

C18H24N2O6S2 (428.1076)

Inosine 5-diphosphate

C10H14N4O11P2 (428.0134)

5-IDP

Inosine-5-diphosphate sodium salt

C10H14N4O11P2 (428.0134)

SMZ-Pt

C17H16N8O4S (428.1015)

CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); ALGAE_TP_ID 3102

Inosine diphosphate

C10H14N4O11P2 (428.0134)

Cys Cys Cys Thr

(2S,3R)-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanoic acid

C13H24N4O6S3 (428.0858)

Cys Cys Thr Cys

(2R)-2-[(2S,3R)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanoic acid

C13H24N4O6S3 (428.0858)

Cys Thr Cys Cys

(2R)-2-[(2R)-2-[(2S,3R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H24N4O6S3 (428.0858)

2H-1-Benzopyran-2-one, 6-(1,2-dihydroxyethyl)-7-hydroxy-8-methoxy- glucuronide

C18H20O12 (428.0955)

Diethylstilbestryl disulfate

C18H20O8S2 (428.06)

Thr Cys Cys Cys

(2R)-2-[(2R)-2-[(2R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C13H24N4O6S3 (428.0858)

Aerugipen

Ticarcillin disodium salt

C15H14N2Na2O6S2 (428.0089)

Theaflavic acid

3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)-5H-benzo[7]annulene-8-carboxylic acid

C21H16O10 (428.0743)

Melarsomine

C13H21AsN8S2 (428.0546)

C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent

Methyl 4-acetoxy-7-(benzyloxy)-8-bromo-2-naphthoate

C21H17BrO5 (428.0259)

(1-Carboxyethyl)-triphenylphosphonium bromide methyl ester

C22H22BrO2P (428.0541)

4,4-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)aniline]

C20H14F6N2O2 (428.0959)

(Carbethoxymethyl-1,2-13C2)triphenylphosphonium bromide

C22H22BrO2P (428.0541)

1H,1H,2H,2H,3H,3H-PERFLUORODECAN-1-OL

C10H7F15O (428.0257)

(2-Ethoxy-2-oxoethyl)triphenylphosphonium bromide

C22H22BrO2P (428.0541)

Ticarcillin sodium

Ticarcillin disodium salt

C15H14N2Na2O6S2 (428.0089)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic

COMU

C12H19F6N4O4P (428.1048)

4-N-OCTYLOXYBENZOIC ACID 2,4,5-TRICHLOROPHENYL ESTER

C21H23Cl3O3 (428.0713)

Tetraphenylstannane

C24H20Sn (428.0587)

(3-Carboxypropyl)(triphenyl)phosphonium bromide

C22H22BrO2P (428.0541)

((1,3-Dioxolan-2-yl)methyl)triphenylphosphonium bromide

C22H22BrO2P (428.0541)

N-[4-[4-(benzylideneamino)-3-chlorophenyl]-2-chlorophenyl]-1-phenylmethanimine

C26H18Cl2N2 (428.0847)

Bromo(tetrabutyl)stiborane

C16H36BrSb (428.1038)

(Dimethylamino)dimethyl(2,3,4,5,6-pentafluorophenoxy)methanaminium hexafluorophosphate

C11H12F11N2OP (428.0512)

tribenzyltin chloride

C21H21ClSn (428.0354)

N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]naphthalene-2-sulfonamide

C24H16N2O4S (428.0831)

ethyl 1-(4-bromophenyl)-6,8-dimethoxypyrazolo[4,5,1-hi]indole-5-carboxylate

C20H17BrN2O4 (428.0372)

1-Boc-4-(3-Iodo-1H-indazol-4-yl)piperazine

C16H21IN4O2 (428.0709)

Ferrate(3-), trisethanedioato(2-)-.kappa.O1,.kappa.O2-, triammonium, trihydrate, (OC-6-11)-

C6FeO12.3(NH4).3(H2O) (428.0087)

2,2-(3-Bromo-4-methylthiophene-2,5-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

C17H27B2BrO4S (428.0999)

tert-Butyl 4-(3-iodo-1H-indazol-6-yl)piperazine-1-carboxylate

C16H21IN4O2 (428.0709)

1-[(Triisopropylsilyl)ethynyl]-1,2-benziodoxol-3(1H)-one

C18H25IO2Si (428.0668)

1-(4-nitrophenoxy)-2-[2-(4-nitrophenoxy)phenyl]benzene

C24H16N2O6 (428.1008)

1-[3,6-bis[4-(trifluoromethyl)phenyl]-1H-1,2,4,5-tetrazin-2-yl]propan-1-one

C19H14F6N4O (428.1072)

PD 180970

C21H15Cl2FN4O (428.0607)

Uprosertib

C18H16Cl2F2N4O2 (428.0618)

C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C155764 - AKT Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Uprosertib (GSK2141795) is a potent and selective pan-Akt inhibitor with IC50 values of 180/328/38 nM for Akt1/Akt2/Akt3, respectively.

SB-705498

C17H16BrF3N4O (428.046)

Tetrahydrothiamine diphosphate

C12H22N4O7P2S (428.0684)

N-(4-hydroxyphenyl)-4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

C21H20N2O4S2 (428.0864)

4-[[Glutamic acid]-carbonyl]-benzene-sulfonyl-d-proline

C17H20N2O9S (428.0889)

Methyl 4-Bromo-N-[8-(Hydroxyamino)-8-Oxooctanoyl]-L-Phenylalaninate

C18H25BrN2O5 (428.0947)

6-o-Phosphoryl inosine monophosphate

C10H14N4O11P2 (428.0134)

S-{propyl[2-(2,4,6-trichlorophenoxy)ethyl]carbamoyl}cysteine

C15H19Cl3N2O4S (428.0131)

3,4,5-trihydroxy-6-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid

C21H16O10 (428.0743)

[({[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

C10H14N4O11P2 (428.0134)

[4-[4-(4-Hydroxyphenyl)hex-3-en-3-yl]phenyl] phosphono hydrogen phosphate

C18H22O8P2 (428.079)

rostratin A

C18H24N2O6S2 (428.1076)

An organic disulfide isolated from the whole broth of the marine-derived fungus Exserohilum rostratum and has been shown to exhibit antineoplastic activity.

Zofenopril(1-)

C22H22NO4S2- (428.099)

4-{[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]amino}-5-(2-thienyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

C22H16N6S2 (428.0878)

1-Amino-4-(4-chloroanilino)-9,10-dioxo-2-anthracenesulfonic acid

C20H13ClN2O5S (428.0234)

N-[4-(4-methyl-2-thiazolyl)-2-phenyl-3-pyrazolyl]-3-(trifluoromethyl)benzamide

C21H15F3N4OS (428.0919)

3-[(4-Methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester

C21H20N2O6S (428.1042)

2-(4-bromophenyl)-2-hydroxy-1-[4-(1H-indazol-5-ylamino)-1-piperidinyl]ethanone

C20H21BrN4O2 (428.0848)

N-(2-methoxyethyl)-4-[4-(2-methoxyethylsulfamoyl)phenyl]benzenesulfonamide

C18H24N2O6S2 (428.1076)

N-[4-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-methoxyphenyl]ethanesulfonamide

C18H24N2O6S2 (428.1076)

N-(3-chloro-4-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide

C18H22ClFN4O3S (428.1085)

ethyl 2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

C20H20N4O3S2 (428.0977)

N-(3,5-dichloro-2-pyridinyl)-2-[(1-phenyl-2-benzimidazolyl)thio]acetamide

C20H14Cl2N4OS (428.0265)

4-(3,5-Dimethyl-1-pyrazolyl)benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester

C20H17ClN4O5 (428.0887)

N-(4-bromo-2-methylphenyl)-4-[(1-methyl-2-oxo-4-quinolinyl)oxy]butanamide

C21H21BrN2O3 (428.0735)

2-[(3-acetyl-5-oxo-4H-imidazol-2-yl)thio]-N-(4-methyl-5-phenyl-2-thiazolyl)-N-prop-2-enylacetamide

C20H20N4O3S2 (428.0977)

N-cyclopropyl-N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-thiophen-2-ylethyl]-4-thiadiazolecarboxamide

C20H20N4O3S2 (428.0977)

3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester

C20H17BrN2O4 (428.0372)

Chrome fast yellow 8GL (acid form)

C19H12N2O8S (428.0314)

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] 3-isocyanopropanoate

C14H17N6O8P (428.0845)

idp

C10H14N4O11P2 (428.0134)

A purine ribonucleoside 5-diphosphate having inosine as the nucleobase.

ST 18:5;O7;S

C18H20O10S (428.0777)

Hydroxy ziprasidone

C21H21ClN4O2S (428.1074)

Hydroxy ziprasidone is an impurity of Ziprasidone[1]. Ziprasidone, an antipsychotic agent, is a combined 5-HT (serotonin) and dopamine receptor antagonist[2].

4,5-dihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}-5,6-dihydro-4h-pyran-2-carboxylic acid

C21H16O10 (428.0743)

2-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]butanedioic acid

C21H16O10 (428.0743)

3,5,6-tris(acetyloxy)-9-oxoxanthen-1-yl acetate

C21H16O10 (428.0743)

(2r)-2-[4-(3,4-dihydroxyphenyl)-6,7-dihydroxynaphthalene-2-carbonyloxy]butanedioic acid

C21H16O10 (428.0743)

3-{[(8s)-6,15,16-trimethoxy-12-oxo-11-oxa-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,9,13,15-heptaen-8-yl]sulfanyl}propanimidic acid

C21H20N2O6S (428.1042)

(2s,3s,6r,8s)-4-chloro-3-ethenyl-8-hydroxy-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione

C22H21ClN2O3S (428.0961)

3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,2''-o-malicacid ester

C21H16O10 (428.0743)

{"Ingredient_id": "HBIN008377","Ingredient_name": "3-carboxy-6,7-dihydroxy-1-(3',4'-dihydroxy-phenyl)-naphthalene-9,2''-o-malicacid ester","Alias": "NA","Ingredient_formula": "C21H16O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3167","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

inosine-5'-diphosphate

C10H14N4O11P2 (428.0134)

4-chloro-3-ethenyl-8-hydroxy-2-isothiocyanato-3,7,7,10-tetramethyl-10-azatetracyclo[6.6.1.1²,⁶.0¹¹,¹⁵]hexadeca-1(14),4,11(15),12-tetraene-9,16-dione

C22H21ClN2O3S (428.0961)

(1s,4ar,4bs,8s,8as,10as)-1-bromo-8a-(bromomethyl)-8-isopropyl-10a-methyl-4-methylidene-2,3,4a,4b,7,8,9,10-octahydro-1h-phenanthrene

C20H30Br2 (428.0714)

(1r,4s,5s,12r)-2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0¹⁵,²⁰]tricosa-6,9,15,17,19-pentaen-5-yl acetate

C20H16N2O5S2 (428.0501)

2,13-dioxo-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.0¹,¹⁴.0³,¹².0⁴,¹⁰.0¹⁵,²⁰]tricosa-6,9,15,17,19-pentaen-5-yl acetate

C20H16N2O5S2 (428.0501)