Exact Mass: 531.2233

Exact Mass Matches: 531.2233

Found 72 metabolites which its exact mass value is equals to given mass value 531.2233, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5169; ORIGINAL_PRECURSOR_SCAN_NO 5165 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5220; ORIGINAL_PRECURSOR_SCAN_NO 5219 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5188; ORIGINAL_PRECURSOR_SCAN_NO 5186 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5190; ORIGINAL_PRECURSOR_SCAN_NO 5188 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5265; ORIGINAL_PRECURSOR_SCAN_NO 5263 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5189; ORIGINAL_PRECURSOR_SCAN_NO 5186 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9697; ORIGINAL_PRECURSOR_SCAN_NO 9696 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9731; ORIGINAL_PRECURSOR_SCAN_NO 9727 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9747; ORIGINAL_PRECURSOR_SCAN_NO 9745 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9775; ORIGINAL_PRECURSOR_SCAN_NO 9772 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9740; ORIGINAL_PRECURSOR_SCAN_NO 9738 CONFIDENCE standard compound; INTERNAL_ID 311; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9776; ORIGINAL_PRECURSOR_SCAN_NO 9774

Glu Pro Thr Trp

(4S)-4-amino-5-[(2S)-2-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C25H33N5O8 (531.2329)

Glu Pro Trp Thr

(4S)-4-amino-5-[(2S)-2-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C25H33N5O8 (531.2329)

Glu Gln Gln Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

C20H33N7O10 (531.2289)

Glu Thr Pro Trp

(4S)-4-amino-4-{[(2S,3R)-1-[(2S)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamoyl}butanoic acid

C25H33N5O8 (531.2329)

Glu Thr Trp Pro

(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carboxybutanamido]-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C25H33N5O8 (531.2329)

Glu Trp Pro Thr

(4S)-4-amino-4-{[(2S)-1-[(2S)-2-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl}butanoic acid

C25H33N5O8 (531.2329)

Glu Trp Thr Pro

(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

C25H33N5O8 (531.2329)

Pro Glu Thr Trp

(4S)-4-{[(1S,2R)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C25H33N5O8 (531.2329)

Pro Glu Trp Thr

(4S)-4-{[(1S)-1-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C25H33N5O8 (531.2329)

Pro Thr Glu Trp

(4S)-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]butanoic acid

C25H33N5O8 (531.2329)

Pro Thr Trp Glu

(2S)-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C25H33N5O8 (531.2329)

Pro Trp Glu Thr

(4S)-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}-4-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanoic acid

C25H33N5O8 (531.2329)

Pro Trp Thr Glu

(2S)-2-[(2S,3R)-3-hydroxy-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]pentanedioic acid

C25H33N5O8 (531.2329)

Gln Glu Gln Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

C20H33N7O10 (531.2289)

Gln Gln Glu Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carbamoylbutanoic acid

C20H33N7O10 (531.2289)

Gln Gln Gln Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanamido]-4-carbamoylbutanamido]pentanedioic acid

C20H33N7O10 (531.2289)

Thr Glu Pro Trp

(4S)-4-[(2S,3R)-2-amino-3-hydroxybutanamido]-5-[(2S)-2-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C25H33N5O8 (531.2329)

Thr Glu Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C25H33N5O8 (531.2329)

Thr Pro Glu Trp

(4S)-4-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C25H33N5O8 (531.2329)

Thr Pro Trp Glu

(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C25H33N5O8 (531.2329)

Thr Trp Glu Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C25H33N5O8 (531.2329)

Thr Trp Pro Glu

(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C25H33N5O8 (531.2329)

Trp Glu Pro Thr

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-5-[(2S)-2-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid

C25H33N5O8 (531.2329)

Trp Glu Thr Pro

(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-carboxybutanamido]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

C25H33N5O8 (531.2329)

Trp Pro Glu Thr

(4S)-4-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl}butanoic acid

C25H33N5O8 (531.2329)

Trp Pro Thr Glu

(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]pentanedioic acid

C25H33N5O8 (531.2329)

Trp Thr Glu Pro

(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C25H33N5O8 (531.2329)

Trp Thr Pro Glu

(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C25H33N5O8 (531.2329)

TEDPA

Thr-Glu-Asp-Pro-Ala

C21H33N5O11 (531.2176)

PADTE

Pro-Ala-Asp-Thr-Glu

C21H33N5O11 (531.2176)

TERT-BUTYL (5-(6-(BENZYLOXY)-5-(TRIFLUOROMETHYL)NAPHTHALEN-2-YL)-2,2-DIMETHYL-1,3-DIOXAN-5-YL)CARBAMATE

C29H32F3NO5 (531.2232)

Dibekacin sulfate

C18H37N5O11S (531.221)

5H-Cyclopenta(b)pyridine-6-carboxylic acid, 5-(1,3-benzodioxol-5-yl)-2-butyl-7-(2-((2S)-2-carboxypropyl)-4-methoxyphenyl)-6,7-dihydro-, (5S,6R,7R)-

C31H33NO7 (531.2257)

D065128 - Endothelin Receptor Antagonists

[(2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] dihydrogen phosphate

C18H38N5O11P (531.2305)

3-(2-fluorophenyl)-1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

3-(2-fluorophenyl)-1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methylurea

C27H34FN3O5S (531.2203)

[(1S)-7-methoxy-9-methyl-1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol

C30H33N3O4S (531.2192)

[(1R)-7-methoxy-9-methyl-1-(4-methylphenyl)sulfonyl-2-(phenylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3-azetidine]yl]methanol

C30H33N3O4S (531.2192)

N-[(2S,3R,4R,5S,6R)-4-Hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide

C20H37NO15 (531.2163)

N-[(2S,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,3,5,6-tetrahydroxyhexan-2-yl]acetamide

C20H37NO15 (531.2163)

Fucalpha1-2Galbeta1-3GalNAc-ol

C20H37NO15 (531.2163)

N-[(2S,3R,4S,5R)-3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5,6-tetrahydroxyhexan-2-yl]acetamide

C20H37NO15 (531.2163)

N-[(2S,3R,4S,5R)-1,5,6-Trihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-2-yl]acetamide

C20H37NO15 (531.2163)

3-[[3-acetyloxy-2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxy-2-aminopropanoic acid

C24H38NO10P (531.2233)

PS 2:0_16:4

C24H38NO10P (531.2233)

ST 22:3;O7;Tau

C24H37NO10S (531.2138)

ST 26:7;O4;Tau

C28H37NO7S (531.2291)

Thymotrinan (TFA)

C18H32F3N7O8 (531.2264)

Thymotrinan (RGH-0205) TFA is a biologically active fragment of the naturally occurring thymus hormone thymopoietin and a immunomodulating peptide. Thymotrinan TFA exerts similar immunomodulatory activities to TP5 and to affect humoral as well as cellular responses[1].

Zamifenacin (fumarate)

C31H33NO7 (531.2257)

Zamifenacin fumarate (UK-76654 fumarate) is a potent gut-selective muscarinic M3 receptor antagonist. Zamifenacin significantly reduces colonic motility in irritable bowel syndrome[1].

(1r,12s,19r)-5,14,15-trimethoxy-19-(2,4,5-trimethoxyphenyl)-11-azapentacyclo[10.6.2.0²,¹¹.0³,⁸.0¹³,¹⁸]icosa-2,4,7,13,15,17-hexaen-6-one

C31H33NO7 (531.2257)

asterin a

C25H33N5O8 (531.2329)

{"Ingredient_id": "HBIN017183","Ingredient_name": "asterin a","Alias": "NA","Ingredient_formula": "C25H33N5O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14397","TCMID_id": "1922","TCMSP_id": "NA","TCM_ID_id": "6556","PubChem_id": "NA","DrugBank_id": "NA"}

asterinin a

C25H33N5O8 (531.2329)

{"Ingredient_id": "HBIN017186","Ingredient_name": "asterinin a","Alias": "NA","Ingredient_formula": "C25H33N5O8","Ingredient_Smile": "CCC(C(=O)O)NC(=O)CC(C1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C2=CC=CN2","Ingredient_weight": "531.56","OB_score": "NA","CAS_id": "157536-40-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6554","PubChem_id": "101667551","DrugBank_id": "NA"}

(2s,3r)-3-hydroxy-n-({[(3s)-3-hydroxy-1-(4-hydroxyphenyl)-5-methoxy-5-oxopentan-2-yl]-c-hydroxycarbonimidoyl}methyl)-2-[(4-methoxyphenyl)formamido]butanimidic acid

C26H33N3O9 (531.2217)

(2s,3r)-3-hydroxy-n-({[(2s,3s)-3-hydroxy-1-(4-hydroxyphenyl)-5-methoxy-5-oxopentan-2-yl]-c-hydroxycarbonimidoyl}methyl)-2-[(4-methoxyphenyl)formamido]butanimidic acid

C26H33N3O9 (531.2217)

(2s)-2-[(3-{[(2s)-2-{[(2s,3s)-1,3-dihydroxy-2-(1h-pyrrol-2-ylformamido)butylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxy-3-phenylpropylidene)amino]butanoic acid

C25H33N5O8 (531.2329)

2-({3-[(2-{[1,3-dihydroxy-2-(1h-pyrrol-2-ylformamido)butylidene]amino}-1,3-dihydroxypropylidene)amino]-1-hydroxy-3-phenylpropylidene}amino)butanoic acid

C25H33N5O8 (531.2329)

(2s)-2-{[(3r)-3-{[(2s)-2-{[(2s,3s)-1,3-dihydroxy-2-(1h-pyrrol-2-ylformamido)butylidene]amino}-1,3-dihydroxypropylidene]amino}-1-hydroxy-3-phenylpropylidene]amino}butanoic acid

C25H33N5O8 (531.2329)

3-hydroxy-n-({[3-hydroxy-1-(4-hydroxyphenyl)-5-methoxy-5-oxopentan-2-yl]-c-hydroxycarbonimidoyl}methyl)-2-[(4-methoxyphenyl)formamido]butanimidic acid

C26H33N3O9 (531.2217)