Exact Mass: 433.13861240000006

Exact Mass Matches: 433.13861240000006

Found 500 metabolites which its exact mass value is equals to given mass value 433.13861240000006, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Pelargonidin 3-glucoside

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1lambda4-chromen-1-ylium

[C21H21O10]+ (433.11346660000004)

Acquisition and generation of the data is financially supported in part by CREST/JST.

N-acetylaspartylglutamylglutamic acid

N-Acetylaspartylglutamylglutamate; N-Acetyl-L-aspartyl-L-glutamyl-L-glutamate; NAAG2

C16H23N3O11 (433.13325280000004)

Meleagrine

C23H23N5O4 (433.17499580000003)

An indole alkaloid with a heterotetracyclic skeleton isolated from Penicillium oxalicum.

Dihydrozeatin riboside monophosphate

C15H24N5O8P (433.1362434)

Pelargonidin 3-galactoside

5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C21H21O10+ (433.11346660000004)

Pelargonidin 3-galactoside is found in black chokeberry. Pelargonidin 3-galactoside is found in strawberry anthocyanin pigments used as fruit material in jam processing. Found in strawberry anthocyanin pigments used as fruit material in jam processing.

Cyanidin 3-rhamnoside

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1λ⁴-chromen-1-ylium

C21H21O10+ (433.11346660000004)

Cyanidin 3-rhamnoside is found in blackcurrant. Cyanidin 3-rhamnoside is isolated from various plant species, e.g. Chamaecyparis sp. and Plumbago rosea [CCD]. Isolated from various plant subspecies, e.g. Chamaecyparis species and Plumbago rosea [CCD]. Cyanidin 3-rhamnoside is found in common pea and blackcurrant.

Luteolinidin 3-O-glucoside

2-(3,4-dihydroxyphenyl)-7-hydroxy-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C21H21O10+ (433.11346660000004)

Luteolinidin 3-O-glucoside is a polyphenol compound found in foods of plant origin (PMID: 20428313)

Pelargonidin 5-galactoside

3,7-dihydroxy-2-(4-hydroxyphenyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium

C21H21O10 (433.11346660000004)

Pelargonidin 5-galactoside is found in beverages. Pelargonidin 5-galactoside is isolated from matara tea (Cassia auriculata).

Peonidin 3-arabinoside

3-{[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ⁴-chromen-1-ylium

C21H21O10 (433.11346660000004)

Peonidin 3-arabinoside is found in american cranberry. Peonidin 3-arabinoside is isolated from grapes and many other plant species.

Petunidin 3-arabinoside

2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-1λ⁴-chromen-1-ylium

C21H21O10 (433.11346660000004)

Isolated from Vaccinium subspecies and other plant subspecies Petunidin 3-arabinoside is found in many foods, some of which are strawberry, red raspberry, lingonberry, and summer grape. Petunidin 3-arabinoside is found in american cranberry. Petunidin 3-arabinoside is isolated from Vaccinium species and other plant species.

Isopeonidin 3-arabinoside

3-{[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-1λ⁴-chromen-1-ylium

C21H21O10 (433.11346660000004)

Isopeonidin 3-arabinoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

Isopeonidin 3-xyloside

3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-1λ⁴-chromen-1-ylium

C21H21O10 (433.11346660000004)

Isopeonidin 3-xyloside is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

Peonidin 3-xyloside

3-{[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1λ⁴-chromen-1-ylium

C21H21O10+ (433.11346660000004)

Peonidin 3-xyloside is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]

Tolmetin glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({2-[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetyl}oxy)oxane-2-carboxylic acid

C21H23NO9 (433.1372748)

Tolmetin glucuronide belongs to the family of Glucuronic Acid Derivatives. These are compounds containing a glucuronic acid moeity (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.

4-Hydroxy-5-[3-(sulfooxy)phenyl]pentanoylcarnitine

3-({4-hydroxy-5-[3-(sulfooxy)phenyl]pentanoyl}oxy)-4-(trimethylazaniumyl)butanoate

C18H27NO9S (433.1406452)

4-hydroxy-5-[3-(sulfooxy)phenyl]pentanoylcarnitine is an acylcarnitine. More specifically, it is an 4-hydroxy-5-[3-(sulfooxy)phenyl]pentanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-hydroxy-5-[3-(sulfooxy)phenyl]pentanoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-hydroxy-5-[3-(sulfooxy)phenyl]pentanoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].

(2R)-1-[4-[1,3-Benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-3-(3,4-difluorophenoxy)propan-2-ol

C22H25F2N3O2S (433.1635454)

2-[6,8-Difluoro-9-[(4-methylsulfonylphenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid

2-{6,8-difluoro-9-[(4-methanesulfonylphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-yl}acetic acid

C22H21F2NO4S (433.11592900000005)

Amustaline

(N,N-Bis(2-chloroethyl))-2-aminoethyl-3-((acridin-9-yl)amino)propionate

C22H25Cl2N3O2 (433.132373)

D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent

Brexpiprazole

7-{4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy}-1,2-dihydroquinolin-2-one

C25H27N3O2S (433.18238820000005)

D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents Brexpiprazole (OPC-34712), an atypical orally active antipsychotic agent, is a partial agonist of human 5-HT1A and dopamine D2L receptor with Kis of 0.12 nM and 0.3 nM, respectively. Brexpiprazole is also a 5-HT2A receptor antagonist with a Ki of 0.47 nM. Brexpiprazole also shows potent antagonist activity at human noradrenergic α1B (Ki=0.17 nM) and α2C receptors (Ki=0.59 nM)[1][2].

(2S)-2-[[4-[[(2R)-2-Amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid

(2S)-2-[[4-[[(2R)-2-Amino-3-sulphanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulphanylbutanoic acid

C21H27N3O3S2 (433.14937520000007)

7-[(Gly-L-Phe-)Amino]-4-(trifluoromethyl)-2H-1-benzopyran-2-one

2-(2-aminoacetamido)-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-3-phenylpropanamide

C21H18F3N3O4 (433.12493440000003)

2-Methyl-1-(2-methyl-3-(trifluoromethyl)benzyl)-6-morpholino-1H-benzo[d]imidazole-4-carboxylic acid

2-methyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(morpholin-4-yl)-1H-1,3-benzodiazole-4-carboxylic acid

C22H22F3N3O3 (433.1613178)

C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D000970 - Antineoplastic Agents

4-Nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carboxylate

4-Nitrophenyl 4-[(3-phenoxyphenyl)methyl]piperazine-1-carboxylic acid

C24H23N3O5 (433.16376280000003)

1-(2-Methyl-4-methoxyphenyl)-4-((2-hydroxyethyl)amino)-6-trifluoromethoxy-2,3-dihydropyrrolo(3,2-c)quinoline

1-(4-Methoxy-2-methylphenyl)-4-((2-hydroxyethyl)amino)-6-trifluoromethoxy-2,3-dihydropyrrolo(3,2-c)quinoline

C22H22F3N3O3 (433.1613178)

D004791 - Enzyme Inhibitors > D054328 - Proton Pump Inhibitors

2-[(Acridin-9-ylamino)methyl]-4-[bis(2-chloroethyl)amino]butanoic acid

4-[Bis(2-chloroethyl)amino]-2-{[(9,10-dihydroacridin-9-ylidene)amino]methyl}butanoate

C22H25Cl2N3O2 (433.132373)

Sarpicillin

Methoxymethyl 6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C21H27N3O5S (433.1671332000001)

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

N-(((1-(2-(Diethylamino)ethyl)amino)-9-oxo-9H-thioxanthen-4-yl)methyl)methanesulfonamide

N-[(1-{[2-(diethylamino)ethyl]amino}-9-oxo-9H-thioxanthen-4-yl)methyl]methanesulphonamide

C21H27N3O3S2 (433.14937520000007)

5-Oxoheptyl glucosinolate

(8Z)-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}-8-{[(trihydroxy-λ⁴-sulfanyl)oxy]imino}octan-3-one

C14H27NO10S2 (433.10763219999995)

5-oxoheptyl glucosinolate is a member of the class of compounds known as thioglycosides. Thioglycosides are glycoside in which a sugar group is bonded through one carbon to another group via a S-glycosidic bond. 5-oxoheptyl glucosinolate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 5-oxoheptyl glucosinolate can be found in capers, which makes 5-oxoheptyl glucosinolate a potential biomarker for the consumption of this food product.

Meleagrin

C23H23N5O4 (433.17499580000003)

CONFIDENCE isolated standard

Peonidin 3-arabinoside

3-{[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1$l^{4}-chromen-1-ylium

C21H21O10 (433.11346660000004)

Luteolinidin 5-glucoside

5,7,3,4-Tetrahydroxyflavylium 5-glucoside

C21H21O10 (433.11346660000004)

Luteolinidin 7-glucoside

C21H21O10 (433.11346660000004)

Pelargonidin 5-galactoside

3,5,7,4-Tetrahydroxyflavylium 5-galactoside

C21H21O10 (433.11346660000004)

Dihydrozeatin riboside-5-monophosphate

C15H24N5O8P (433.1362434)

Pelargonidin 7-glucoside

C21H21O10 (433.11346660000004)

Fenfangjine G

[(1S,8R,9S,12S,13R)-12-acetyloxy-3,8-dihydroxy-4,11-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-13-yl] acetate

C22H27NO8 (433.17365820000003)

Dysideaproline E

C19H29Cl2N3O2S (433.1357434)

1,9a-seco-Stemoenonine

C22H27NO8 (433.17365820000003)

Pelargonidin 3-O-beta-D-galactopyranoside

C21H21O10 (433.11346660000004)

callistephin

3- (beta-D-Glucopyranosyloxy) -5,7-dihydroxy-2- (4-hydroxyphenyl) -1-benzopyrylium

C21H21O10 (433.11346660000004)

Cyanidin 3-rhamnoside

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-1$l^{4}-chromen-1-ylium

C21H21O10 (433.11346660000004)

Fragarin

3,5,7,4-Tetrahydroxyflavylium 3-galactoside

C21H21O10 (433.11346660000004)

2-Hydroxypropyl nortadalafil

C24H23N3O5 (433.16376280000003)

JZL195

C24H23N3O5 (433.16376280000003)

Maybridge4_001527

C22H18F3NO3S (433.0959434)

Oprea1_064748

C23H19N3O2S2 (433.0918634)

MMV676571

C24H20FN3O4 (433.14377720000005)

Nitrile,1-O-beta-rutinoside-glucopyranoside,penta-Ac-1,4-Dihydroxy-2-cyclopentene-1-carboxylic acid

C18H27NO11 (433.15840319999995)

Passibiflorin|Passitrifasciatin

C18H27NO11 (433.15840319999995)

isonaamidine C

C23H23N5O4 (433.17499580000003)

C22H27NO6S

C22H27NO6S (433.1559002000001)

purpuramine B

C20H24BrN3O3 (433.1000934)

SCHEMBL17866799

C21H21Cl2N3O3 (433.09598960000005)

(1R)-(4-hydroxybenzyl)-7-hydroxyl-8-O-beta-D-glucopyranosyl-1,2,3,4-tetrahydroisoquinoline

C22H27NO8 (433.17365820000003)

SCH 71450

C22H27NO8 (433.17365820000003)

passitrifasciatin

C18H27NO11 (433.15840319999995)

Trp Asp Asn

C19H23N5O7 (433.1597408)

Asp Tyr His

C19H23N5O7 (433.1597408)

Met His Phe

C20H27N5O4S (433.1783662000001)

Phe Met His

C20H27N5O4S (433.1783662000001)

Tyr His Asp

C19H23N5O7 (433.1597408)

Ala Asn Asp Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]butanedioic acid

C15H23N5O10 (433.1444858)

His Tyr Asp

C19H23N5O7 (433.1597408)

Asp His Tyr

C19H23N5O7 (433.1597408)

CHEMBL329480

C24H20ClN3O3 (433.11931200000004)

Tyr Asp His

C19H23N5O7 (433.1597408)

His Met Phe

C20H27N5O4S (433.1783662000001)

His Phe Met

C20H27N5O4S (433.1783662000001)

His Asp Tyr

C19H23N5O7 (433.1597408)

Phe His Met

C20H27N5O4S (433.1783662000001)

Met Phe His

C20H27N5O4S (433.1783662000001)

Dihydrozeatin riboside-5-monophosphate sodium salt

C15H24N5O8P (433.1362434)

Cyanidin-3-O-rhamnoside

[C21H21O10]+ (433.11346660000004)

Annotation level-1 Acquisition and generation of the data is financially supported in part by CREST/JST.

Peonidin-3-O-alpha-arabinopyranoside

[C21H21O10]+ (433.11346660000004)

Acquisition and generation of the data is financially supported in part by CREST/JST.

12-[(2,4-dimethoxyphenyl)carbonyl]-6a,6b,10,11,11a,12-hexahydro-8,11-epoxyoxepino[4,5:3,4]pyrrolo[1,2-a]quinolin-7(8H)-one

C25H23NO6 (433.1525298)

relative retention time with respect to 9-anthracene Carboxylic Acid is 1.276 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.275 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.279

Fluvastatin sodium (Lescol)

C24H25FNNaO4 (433.16652220000003)

Callistephin chloride

[C21H21O10]+ (433.11346660000004)

[(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate

NCGC00347765-02![(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate

C23H28ClNO5 (433.1655908000001)

C23H23N5O4_(3Z)-6-Hydroxy-3-(1H-imidazol-5-ylmethylene)-12-methoxy-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-1H,5H-imidazo[1,2:1,2]pyrido[2,3-b]indole-2,5(3H)-dione

NCGC00380935-01_C23H23N5O4_(3Z)-6-Hydroxy-3-(1H-imidazol-5-ylmethylene)-12-methoxy-7a-(2-methyl-3-buten-2-yl)-7a,12-dihydro-1H,5H-imidazo[1,2:1,2]pyrido[2,3-b]indole-2,5(3H)-dione

C23H23N5O4 (433.17499580000003)

isochromophilone VI

C23H28ClNO5 (433.1655908000001)

MMV676571

C24H20N3O4F (433.14377720000005)

pelargonidin-3-O-glucoside

C21H21O10 (433.11346660000004)

Cyanidin-3-O-rhamnoside

C21H21O10 (433.11346660000004)

pelargonidin-3-O-glucoside

[C21H21O10]+ (433.11346660000004)

Annotation level-1

[(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate [IIN-based on: CCMSLIB00000846974]

NCGC00347765-02![(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate [IIN-based on: CCMSLIB00000846974]

C23H28ClNO5 (433.1655908000001)

[(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate [IIN-based: Match]

NCGC00347765-02![(7R)-5-chloro-3-[(1E,3E,5S)-3,5-dimethylhepta-1,3-dienyl]-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] acetate [IIN-based: Match]

C23H28ClNO5 (433.1655908000001)

pelargonidin glucoside

[C21H21O10]+ (433.11346660000004)

Ala Asp Asp Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-3-carboxypropanamido]-3-carbamoylpropanoic acid

C15H23N5O10 (433.1444858)

Ala Asp Asn Asp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-3-carbamoylpropanamido]butanedioic acid

C15H23N5O10 (433.1444858)

Ala Asp Gln Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid