Exact Mass: 256.0462692

Exact Mass Matches: 256.0462692

Found 118 metabolites which its exact mass value is equals to given mass value 256.0462692, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Purpurin

1,2,4-trihydroxy-9,10-dihydroanthracene-9,10-dione

C14H8O5 (256.0371718)


CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4870; ORIGINAL_PRECURSOR_SCAN_NO 4868 CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4852; ORIGINAL_PRECURSOR_SCAN_NO 4850 CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4850; ORIGINAL_PRECURSOR_SCAN_NO 4849 CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4850; ORIGINAL_PRECURSOR_SCAN_NO 4848 CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4861; ORIGINAL_PRECURSOR_SCAN_NO 4860 CONFIDENCE standard compound; INTERNAL_ID 760; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4843; ORIGINAL_PRECURSOR_SCAN_NO 4841 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8372 D004396 - Coloring Agents Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1]. Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1].

   

Anthragallol

Anthracene Brown, water soluble

C14H8O5 (256.0371718)


A trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 2 and 3.

   

Paraquat dichloride

1,1-Dimethyl-4,4-bipyridinium dichloride

C12H14Cl2N2 (256.0533984)


D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

   

1,2,4-Trihydroxyanthraquinone

InChI=1/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19

C14H8O5 (256.0371718)


Purpurin is a trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. It has a role as a biological pigment, a histological dye and a plant metabolite. Purpurin is a natural product found in Rubia argyi, Cinchona calisaya, and other organisms with data available. See also: Rubia tinctorum root (part of). A trihydroxyanthraquinone derived from anthracene by substitution with oxo groups at C-9 and C-10 and with hydroxy groups at C-1, C-2 and C-4. D004396 - Coloring Agents Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1]. Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1].

   

Preparation 11

ethyl 2-{[diethoxy(sulfanylidene)-lambda5-phosphanyl]oxy}acetate

C8H17O5PS (256.0534282)


   

Serotonin O-sulfate

[3-(2-Aminoethyl)-1H-indol-5-yl]oxidanesulphonic acid

C10H12N2O4S (256.0517752)


   

uric acid lactate

2,8-Dihydroxy-6-oxo-6,9-dihydro-1H-purin-1-yl 2-hydroxypropanoic acid

C8H8N4O6 (256.0443828)


   
   

Arthoniafurone A

Arthoniafurone A

C14H8O5 (256.0371718)


   
   

Ethofumesate-2-keto

Ethofumesate-2-keto

C11H12O5S (256.0405422)


A methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 3,3-dimethyl-2-oxo-2,3-dihydro-1-benzofuran-5-yl group. It is a metabolite of the herbicide ethofumesate. CONFIDENCE standard compound; EAWAG_UCHEM_ID 118 EAWAG_UCHEM_ID 118; CONFIDENCE standard compound

   
   
   
   

3-(5-phenylthiophen-2-yl)prop-2-ynyl Acetate

3-(5-phenylthiophen-2-yl)prop-2-ynyl Acetate

C15H12O2S (256.05579720000003)


   
   

2-acetyl-5-hydroxynaphtho[2,3-b]furan-4,9-dione

2-acetyl-5-hydroxynaphtho[2,3-b]furan-4,9-dione

C14H8O5 (256.0371718)


   

2-Amino-9-carboxy-3H-phenoxazin-3-on

2-Amino-9-carboxy-3H-phenoxazin-3-on

C13H8N2O4 (256.0484048)


   

1,3,6-Trihydroxyanthraquinone

1,3,6-Trihydroxyanthraquinone

C14H8O5 (256.0371718)


   

globosuxanthone D

globosuxanthone D

C14H8O5 (256.0371718)


A member of the class of xanthones that is 9H-xanthene substituted by a hydroxy group at position 8, an oxo group at position 9 and a carboxy group at position 1. It has been isolated from Chaetomium globosum.

   
   

2-(Pentadiin-(1.3)-yl)-5-(4-acetoxy-butin-(1)-yl)-thiophen|2--5-<4-acetoxy-butin-(1)-yl>-thiophen

2-(Pentadiin-(1.3)-yl)-5-(4-acetoxy-butin-(1)-yl)-thiophen|2--5-<4-acetoxy-butin-(1)-yl>-thiophen

C15H12O2S (256.05579720000003)


   

6-Chloro-4-phenyl-1H-quinazolin-2-one

6-Chloro-4-phenyl-1H-quinazolin-2-one

C14H9ClN2O (256.0403374)


   
   

1-Hydroxy-2,3-methylendioxy-xanthon|1-Hydroxy-2,3-methylendioxyxanthon|1-hydroxy-2,3-methylenedioxyxanthone

1-Hydroxy-2,3-methylendioxy-xanthon|1-Hydroxy-2,3-methylendioxyxanthon|1-hydroxy-2,3-methylenedioxyxanthone

C14H8O5 (256.0371718)


   

1,2,5-TRIHYDROXYANTHRAQUINONE

1,2,5-TRIHYDROXYANTHRAQUINONE

C14H8O5 (256.0371718)


   

1,3,8-Trihydroxyanthraquinone

1,3,8-Trihydroxyanthraquinone

C14H8O5 (256.0371718)


   

1,10-dihydroxy-dibenz[b,e]oxepin-6,11-dione

1,10-dihydroxy-dibenz[b,e]oxepin-6,11-dione

C14H8O5 (256.0371718)


   

2--5-<5-acetoxy-penten-(3)-in-(1)-yl>-thiophen|5-acetoxy-1-(5-but-3-en-1-ynyl-thiophen-2-yl)-pent-3-en-1-yne

2--5-<5-acetoxy-penten-(3)-in-(1)-yl>-thiophen|5-acetoxy-1-(5-but-3-en-1-ynyl-thiophen-2-yl)-pent-3-en-1-yne

C15H12O2S (256.05579720000003)


   
   

4-Hydroxy-10H-1,3-dioxolo[4,5-b]xanthen-10-one

4-Hydroxy-10H-1,3-dioxolo[4,5-b]xanthen-10-one

C14H8O5 (256.0371718)


   
   

afrostyraxthioside A|methylthiomethyl 1-thio-beta-D-glucopyranoside

afrostyraxthioside A|methylthiomethyl 1-thio-beta-D-glucopyranoside

C8H16O5S2 (256.0439126)


   
   
   
   

1,4,5-Trihydroxyanthraquinone

9,10-Anthracenedione,1,4,5-trihydroxy-

C14H8O5 (256.0371718)


   

Naphtho[2,3-b]furan-4,9-dione, 2-acetyl-8-hydroxy-

Naphtho[2,3-b]furan-4,9-dione, 2-acetyl-8-hydroxy-

C14H8O5 (256.0371718)


   

Purpurin - CASMI2016 Category 1 - Challenge 18

Purpurin - CASMI2016 Category 1 - Challenge 18

C14H8O5 (256.0371718)


   

Purpurin

InChI=1\C14H8O5\c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18\h1-5,15-16,19

C14H8O5 (256.0371718)


D004396 - Coloring Agents Origin: Plant, Organic chemicals, Polycyclic compounds, Anthracenes Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1]. Purpurin is a natural anthraquinone compound from Rubia cordifolia L.. Purpurin has antidepressant-like effects[1].

   
   
   

3-(5-phenylthiophen-2-yl)prop-2-ynyl Acetate_38.6\\%

3-(5-phenylthiophen-2-yl)prop-2-ynyl Acetate_38.6\\%

C15H12O2S (256.05579720000003)


   

N1,N4-Diacetylsulfanilamide

Acetamide,N-[[4-(acetylamino)phenyl]sulfonyl]-

C10H12N2O4S (256.0517752)


   

1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrole

1-[2-nitro-4-(trifluoromethyl)phenyl]pyrrole

C11H7F3N2O2 (256.0459598)


   

N-Benzyl-2-oxo-1,3-oxazolidine-3-sulfonamide

N-Benzyl-2-oxo-1,3-oxazolidine-3-sulfonamide

C10H12N2O4S (256.0517752)


   

1-bromo-5-(4-methoxyphenyl)pentane

1-bromo-5-(4-methoxyphenyl)pentane

C12H17BrO (256.0462692)


   
   

ethyl 3-(3-chloro-4-methoxyphenyl)-3-oxopropanoate

ethyl 3-(3-chloro-4-methoxyphenyl)-3-oxopropanoate

C12H13ClO4 (256.0502328)


   

6-phenoxyhexyl bromide

6-phenoxyhexyl bromide

C12H17BrO (256.0462692)


   

3-(4-METHANESULFONYLBENZOYL)PROPIONIC ACID

3-(4-METHANESULFONYLBENZOYL)PROPIONIC ACID

C11H12O5S (256.0405422)


   

3-(4-fluorophenyl)-7-hydroxy-4h-1-benzopyran-4-on

3-(4-fluorophenyl)-7-hydroxy-4h-1-benzopyran-4-on

C15H9FO3 (256.05356959999995)


   

N-(4-NITROBENZYL)CYCLOPROPANESULFONAMIDE

N-(4-NITROBENZYL)CYCLOPROPANESULFONAMIDE

C10H12N2O4S (256.0517752)


   

2-CHLORO-3-PHENYLQUINAZOLIN-4(3H)-ONE

2-CHLORO-3-PHENYLQUINAZOLIN-4(3H)-ONE

C14H9ClN2O (256.0403374)


   

Ethyl ((diethoxyphosphinyl)thio)acetate

Ethyl ((diethoxyphosphinyl)thio)acetate

C8H17O5PS (256.0534282)


   

2,7-dinitro-9H-fluorene

2,7-dinitro-9H-fluorene

C13H8N2O4 (256.0484048)


   

1-[(4-NITROPHENYL)SULFONYL]PYRROLIDINE

1-[(4-NITROPHENYL)SULFONYL]PYRROLIDINE

C10H12N2O4S (256.0517752)


   

3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1h-pyrazole

3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1h-pyrazole

C11H7F3N2O2 (256.0459598)


   

pyridinium hydrogen sulphate

pyridinium hydrogen sulphate

C10H12N2O4S (256.0517752)


   

ethyl 8-(chloromethyl)benzo-1,3-dioxan-6-carboxylate

ethyl 8-(chloromethyl)benzo-1,3-dioxan-6-carboxylate

C12H13ClO4 (256.0502328)


   

PHENYL(PYRIDIN-2-YL)METHANAMINE DIHYDROCHLORIDE

PHENYL(PYRIDIN-2-YL)METHANAMINE DIHYDROCHLORIDE

C12H14Cl2N2 (256.0533984)


   

(2-(4-METHOXYPHENYL)THIAZOL-4-YL)METHANAMINE HYDROCHLORIDE

(2-(4-METHOXYPHENYL)THIAZOL-4-YL)METHANAMINE HYDROCHLORIDE

C11H13ClN2OS (256.0437078)


   

1-Adamantyl bromomethyl ketone

1-Adamantyl bromomethyl ketone

C12H17BrO (256.0462692)


   

Benzidine dihydrochloride

Benzidine dihydrochloride

C12H14Cl2N2 (256.0533984)


   

3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde

3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde

C14H9ClN2O (256.0403374)


   

1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

1-Phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C11H7F3N2O2 (256.0459598)


   

Phenyl(pyridin-4-yl)methanamine

Phenyl(pyridin-4-yl)methanamine

C12H14Cl2N2 (256.0533984)


   

Anthrapurpurin

9,10-Anthracenedione,1,2,7-trihydroxy-

C14H8O5 (256.0371718)


   

1-(2-bromoethoxy)-4-tert-butylbenzene

1-(2-bromoethoxy)-4-tert-butylbenzene

C12H17BrO (256.0462692)


   
   

Dimethyl [6-(methylsulfanyl)-4-pyrimidinyl]malonate

Dimethyl [6-(methylsulfanyl)-4-pyrimidinyl]malonate

C10H12N2O4S (256.0517752)


   

4-[3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZOIC ACID

4-[3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZOIC ACID

C11H7F3N2O2 (256.0459598)


   

Benzyl 5-Bromoamyl Ether

Benzyl 5-Bromoamyl Ether

C12H17BrO (256.0462692)


   

1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid

C11H7F3N2O2 (256.0459598)


   

4-(4-Fluorophenyl)-7-hydroxy-2H-chromen-2-one

4-(4-Fluorophenyl)-7-hydroxy-2H-chromen-2-one

C15H9FO3 (256.05356959999995)


   

9H-Fluorene,2,5-dinitro-

9H-Fluorene,2,5-dinitro-

C13H8N2O4 (256.0484048)


   

2-(2-chlorophenyl)-4-pyridin-2-yl-1,3-oxazole

2-(2-chlorophenyl)-4-pyridin-2-yl-1,3-oxazole

C14H9ClN2O (256.0403374)


   
   

1-(2-PYRIDIN-3-YLPHENYL)METHANAMINE DIHYDROCHLORIDE

1-(2-PYRIDIN-3-YLPHENYL)METHANAMINE DIHYDROCHLORIDE

C12H14Cl2N2 (256.0533984)


   

BENZYL-PYRIDIN-2-YL-AMINE DIHYDROCHLORIDE

BENZYL-PYRIDIN-2-YL-AMINE DIHYDROCHLORIDE

C12H14Cl2N2 (256.0533984)


   

2-CHLORO-3-[2-(3-CYANOPHENYL)-1-OXOETHYL]PYRIDINE

2-CHLORO-3-[2-(3-CYANOPHENYL)-1-OXOETHYL]PYRIDINE

C14H9ClN2O (256.0403374)


   

BENZYL-PYRIDIN-4-YL-AMINE DIHYDROCHLORIDE

BENZYL-PYRIDIN-4-YL-AMINE DIHYDROCHLORIDE

C12H14Cl2N2 (256.0533984)


   

2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

2-(4-chlorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde

C14H9ClN2O (256.0403374)


   

3-(4-trifluoromethyl-phenyl)-1h-pyrazole-4-carboxylic acid

3-(4-trifluoromethyl-phenyl)-1h-pyrazole-4-carboxylic acid

C11H7F3N2O2 (256.0459598)


   

2-(4-AMINOBENZYL)PYRIDINE

2-(4-AMINOBENZYL)PYRIDINE

C12H14Cl2N2 (256.0533984)


   

p-Hexyloxybromobenzene

p-Hexyloxybromobenzene

C12H17BrO (256.0462692)


   

2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]pyridine

2-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]pyridine

C13H9ClN4 (256.0515704)


   

3-(2-Amino-thiazol-4-yl)-5-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester

3-(2-Amino-thiazol-4-yl)-5-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester

C10H12N2O4S (256.0517752)


   

D-Glucose, cyclic1,2-ethanediyl dithioacetal

D-Glucose, cyclic1,2-ethanediyl dithioacetal

C8H16O5S2 (256.0439126)


   

Boronic acid, [8-(trifluoromethoxy)-2-naphthalenyl]- (9CI)

Boronic acid, [8-(trifluoromethoxy)-2-naphthalenyl]- (9CI)

C11H8BF3O3 (256.0518564)


   

1-METHANESULFONYL-4-PHENYLETHYNYL-BENZENE

1-METHANESULFONYL-4-PHENYLETHYNYL-BENZENE

C15H12O2S (256.05579720000003)


   

1-bromo-3-hexoxybenzene

1-bromo-3-hexoxybenzene

C12H17BrO (256.0462692)


   

3-Oxo-N-(4-sulfamoylphenyl)butanamide

3-Oxo-N-(4-sulfamoylphenyl)butanamide

C10H12N2O4S (256.0517752)


   

3-(1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID

3-(1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID

C11H7F3N2O2 (256.0459598)


   

METHYL 3-(2-CHLORO-3,4-DIMETHOXYPHENYL)ACRYLATE

METHYL 3-(2-CHLORO-3,4-DIMETHOXYPHENYL)ACRYLATE

C12H13ClO4 (256.0502328)


   

methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

C10H12ClF3O2 (256.0477878)


   

1,3,5-TRIHYDROXYANTHRAQUINONE

1,3,5-TRIHYDROXYANTHRAQUINONE

C14H8O5 (256.0371718)


   

n,n-diacetylsulfanilamide

Acetamide,N-[[4-(acetylamino)phenyl]sulfonyl]-

C10H12N2O4S (256.0517752)


   

NITROFURANTOIN MONOHYDRATE

NITROFURANTOIN MONOHYDRATE

C8H8N4O6 (256.0443828)


   

2-(4-Methoxyphenyl)benzothiophene-6-ol

2-(4-Methoxyphenyl)benzothiophene-6-ol

C15H12O2S (256.05579720000003)


   
   
   

9,10-Anthracenedione,1,2,8-trihydroxy-

9,10-Anthracenedione,1,2,8-trihydroxy-

C14H8O5 (256.0371718)


   

5-(M-TOLYL)PYRIDIN-2-AMINE DIHYDROCHLORIDE

5-(M-TOLYL)PYRIDIN-2-AMINE DIHYDROCHLORIDE

C12H14Cl2N2 (256.0533984)


   

dimethyl 2-[(4-chlorophenyl)methyl]propanedioate

dimethyl 2-[(4-chlorophenyl)methyl]propanedioate

C12H13ClO4 (256.0502328)


   

6-CHLORO-3-PHENYL-1,5-NAPHTHYRIDIN-2(1H)-ONE

6-CHLORO-3-PHENYL-1,5-NAPHTHYRIDIN-2(1H)-ONE

C14H9ClN2O (256.0403374)


   

Pyrrolidine,1-[(3-nitrophenyl)sulfonyl]-

Pyrrolidine,1-[(3-nitrophenyl)sulfonyl]-

C10H12N2O4S (256.0517752)


   

4-(4-CHLOROPHENYL)-1-(2H)-PHTHALAZINONE&

4-(4-CHLOROPHENYL)-1-(2H)-PHTHALAZINONE&

C14H9ClN2O (256.0403374)


   

1-(4-Chlorophenyl)cyclohexanecarbonyl chloride

1-(4-Chlorophenyl)cyclohexanecarbonyl chloride

C13H14Cl2O (256.0421654)


   

1-(2-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

1-(2-(TRIFLUOROMETHYL)PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

C11H7F3N2O2 (256.0459598)


   

Dibenzofuran-4,6-dicarboxylic acid

Dibenzofuran-4,6-dicarboxylic acid

C14H8O5 (256.0371718)


   

Acetic acid, ((diethoxyphosphinothioyl)oxy)-, ethyl ester (9CI)

Acetic acid, ((diethoxyphosphinothioyl)oxy)-, ethyl ester (9CI)

C8H17O5PS (256.0534282)


   

1,4,6-Trihydroxyanthraquinone

1,4,6-Trihydroxyanthraquinone

C14H8O5 (256.0371718)


   

2-(4-Chlorophenyl)-1-phthalazinone

2-(4-Chlorophenyl)-1-phthalazinone

C14H9ClN2O (256.0403374)


   

4-(4,6-Difluoro-1,3-benzothiazol-2-yl)morpholine

4-(4,6-Difluoro-1,3-benzothiazol-2-yl)morpholine

C11H10F2N2OS (256.0481874)


   

Dimethyl(diphenyl)germane

Dimethyl(diphenyl)germane

C14H16Ge (256.0472736)


   

1H-Indol-5-ol, 3-(2-aminoethyl)-, hydrogen sulfate (ester)

1H-Indol-5-ol, 3-(2-aminoethyl)-, hydrogen sulfate (ester)

C10H12N2O4S (256.0517752)


   

3-[(3,6-Dioxo-1,4-cyclohexadienyl)methyl]-p-tropoquinone

3-[(3,6-Dioxo-1,4-cyclohexadienyl)methyl]-p-tropoquinone

C14H8O5 (256.0371718)