Exact Mass: 256.0405422

Exact Mass Matches: 256.0405422

Found 110 metabolites which its exact mass value is equals to given mass value 256.0405422, 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.

   

1-epi-Valienol 7-phosphate

1-epi-Valienol 7-phosphate

C7H13O8P (256.0348028)


   

1-epi-Valienol 1-phosphate

1-epi-Valienol 1-phosphate

C7H13O8P (256.0348028)


   

Validone 7-phosphate

Validone 7-phosphate

C7H13O8P (256.0348028)


   

(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl dihydrogen phosphate

(1S,4R,5S,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl dihydrogen phosphate

C7H13O8P (256.0348028)


   

[(3S,4S,5S,6R)-3,4,5,6-tetrahydroxycyclohexen-1-yl]methyl dihydrogen phosphate

[(3S,4S,5S,6R)-3,4,5,6-tetrahydroxycyclohexen-1-yl]methyl dihydrogen phosphate

C7H13O8P (256.0348028)


   

N,N-Disuccinimidyl carbonate

Bis(2,5-dioxopyrrolidin-1-yl) carbonate

C9H8N2O7 (256.0331498)


   

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].

   

Bis(2,5-dioxopyrrolidin-1-yl) carbonate

Bis(2,5-dioxopyrrolidin-1-yl) carbonic acid

C9H8N2O7 (256.0331498)


   

uric acid lactate

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

C8H8N4O6 (256.0443828)


   

Bis(2,5-dihydroxypyrrol-1-yl) carbonate

Bis(2,5-dihydroxy-1H-pyrrol-1-yl) carbonic acid

C9H8N2O7 (256.0331498)


   
   

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

   
   
   

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.

   
   

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)


   
   

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].

   

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

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

C11H7F3N2O2 (256.0459598)


   

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)


   

5-Bromo-2-(4-methylpiperazin-1-yl)pyrimidine

5-Bromo-2-(4-methylpiperazin-1-yl)pyrimidine

C9H13BrN4 (256.0323518)


   

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

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

C14H9ClN2O (256.0403374)


   

2,7-dinitro-9H-fluorene

2,7-dinitro-9H-fluorene

C13H8N2O4 (256.0484048)


   

5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FURALDEHYDE

5-[2-(TRIFLUOROMETHOXY)PHENYL]-2-FURALDEHYDE

C12H7F3O3 (256.03472680000004)


   

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

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

C11H7F3N2O2 (256.0459598)


   

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

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

C12H13ClO4 (256.0502328)


   

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

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

C11H13ClN2OS (256.0437078)


   

8-iodo-1-octanol

8-iodo-1-octanol

C8H17IO (256.0324102)


   

1-Adamantyl bromomethyl ketone

1-Adamantyl bromomethyl ketone

C12H17BrO (256.0462692)


   

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)


   

Diethyl (1,3-Dithian-2-yl)phosphonate

Diethyl (1,3-Dithian-2-yl)phosphonate

C8H17O3PS2 (256.0356702)


   

Anthrapurpurin

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

C14H8O5 (256.0371718)


   

3-thiophen-2-ylquinoxaline-5-carboxylic acid

3-thiophen-2-ylquinoxaline-5-carboxylic acid

C13H8N2O2S (256.0306468)


   

2-thiophen-2-ylquinoxaline-5-carboxylic acid

2-thiophen-2-ylquinoxaline-5-carboxylic acid

C13H8N2O2S (256.0306468)


   

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

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

C12H17BrO (256.0462692)


   

8 9-DICYANO-1 4-DIOXA-7 10-DITHIACYCLO-&

8 9-DICYANO-1 4-DIOXA-7 10-DITHIACYCLO-&

C10H12N2O2S2 (256.0340172)


   
   

1-(2,4-BIS(TRIFLUOROMETHYL)PHENYL)ETHANONE

1-(2,4-BIS(TRIFLUOROMETHYL)PHENYL)ETHANONE

C10H6F6O (256.03228179999996)


   

2,5-Bis(trifluoromethyl)acetophenone

2,5-Bis(trifluoromethyl)acetophenone

C10H6F6O (256.03228179999996)


   

5-(4-(TRIFLUOROMETHYL)PHENYL)FURAN-2-CARBOXYLIC ACID

5-(4-(TRIFLUOROMETHYL)PHENYL)FURAN-2-CARBOXYLIC ACID

C12H7F3O3 (256.03472680000004)


   

2-(3,5-bis(trifluoromethyl)phenyl)acetaldehyde

2-(3,5-bis(trifluoromethyl)phenyl)acetaldehyde

C10H6F6O (256.03228179999996)


   

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-(3,5-Bis(trifluoromethyl)phenyl)ethanone

1-(3,5-Bis(trifluoromethyl)phenyl)ethanone

C10H6F6O (256.03228179999996)


   

1-(5-BROMOPYRIMIDIN-2-YL)[1,4]DIAZEPANE

1-(5-BROMOPYRIMIDIN-2-YL)[1,4]DIAZEPANE

C9H13BrN4 (256.0323518)


   

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

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

C11H7F3N2O2 (256.0459598)


   

2-Amino-5-bromo-3-piperidin-1-ylpyrazine

2-Amino-5-bromo-3-piperidin-1-ylpyrazine

C9H13BrN4 (256.0323518)


   

9H-Fluorene,2,5-dinitro-

9H-Fluorene,2,5-dinitro-

C13H8N2O4 (256.0484048)


   

5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC

5-[2-(Trifluoromethyl)phenyl]-2-furoic acid

C12H7F3O3 (256.03472680000004)


   

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

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

C14H9ClN2O (256.0403374)


   

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

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

C14H9ClN2O (256.0403374)


   

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)


   

3-(4-cyanopyridin-2-ylthio)benzoic acid

3-(4-cyanopyridin-2-ylthio)benzoic acid

C13H8N2O2S (256.0306468)


   

p-Hexyloxybromobenzene

p-Hexyloxybromobenzene

C12H17BrO (256.0462692)


   

5-[3-(TRIFLUOROMETHOXY)PHENYL]-2-FURALDEHYDE

5-[3-(TRIFLUOROMETHOXY)PHENYL]-2-FURALDEHYDE

C12H7F3O3 (256.03472680000004)


   

5-[4-(trifluoromethoxy)phenyl]-2-furaldehyde

5-[4-(trifluoromethoxy)phenyl]-2-furaldehyde

C12H7F3O3 (256.03472680000004)


   

3-FURANCARBOXYLIC ACID, 5-PHENYL-2-(TRIFLUOROMETHYL)-

3-FURANCARBOXYLIC ACID, 5-PHENYL-2-(TRIFLUOROMETHYL)-

C12H7F3O3 (256.03472680000004)


   

5-[3-(trifluoromethyl)phenyl]-2-furoic acid

5-[3-(trifluoromethyl)phenyl]-2-furoic acid

C12H7F3O3 (256.03472680000004)


   

D-Glucose, cyclic1,2-ethanediyl dithioacetal

D-Glucose, cyclic1,2-ethanediyl dithioacetal

C8H16O5S2 (256.0439126)


   

1-bromo-3-hexoxybenzene

1-bromo-3-hexoxybenzene

C12H17BrO (256.0462692)


   

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)


   

NITROFURANTOIN MONOHYDRATE

NITROFURANTOIN MONOHYDRATE

C8H8N4O6 (256.0443828)


   

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

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

C14H8O5 (256.0371718)


   

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)


   

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)


   

2-methyl-N-(4-methyl-5-oxo-dithiolo[4,3-b]pyrrol-6-yl)propanamide

2-methyl-N-(4-methyl-5-oxo-dithiolo[4,3-b]pyrrol-6-yl)propanamide

C10H12N2O2S2 (256.0340172)


   

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)


   

N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)butanamide

N-(4-methyl-5-oxodithiolo[4,3-b]pyrrol-6-yl)butanamide

C10H12N2O2S2 (256.0340172)


   

2-(2,6-Dinitrophenoxy)propanoic acid

2-(2,6-Dinitrophenoxy)propanoic acid

C9H8N2O7 (256.0331498)


   

N-[bis(methylthio)methylideneamino]-4-hydroxybenzamide

N-[bis(methylthio)methylideneamino]-4-hydroxybenzamide

C10H12N2O2S2 (256.0340172)


   

(2-Acetyloxy-3-phosphonooxypropyl) acetate

(2-Acetyloxy-3-phosphonooxypropyl) acetate

C7H13O8P (256.0348028)


   

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

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

C14H8O5 (256.0371718)