Exact Mass: 403.1168152

Exact Mass Matches: 403.1168152

Found 246 metabolites which its exact mass value is equals to given mass value 403.1168152, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Azoxystrobin

Pesticide4_Azoxystrobin_C22H17N3O5_Methyl (2E)-2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate

C22H17N3O5 (403.1168152)

D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8790; ORIGINAL_PRECURSOR_SCAN_NO 8788 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8782; ORIGINAL_PRECURSOR_SCAN_NO 8780 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8831; ORIGINAL_PRECURSOR_SCAN_NO 8830 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8824; ORIGINAL_PRECURSOR_SCAN_NO 8823 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8802; ORIGINAL_PRECURSOR_SCAN_NO 8800 CONFIDENCE standard compound; INTERNAL_ID 1208; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8822; ORIGINAL_PRECURSOR_SCAN_NO 8821 EAWAG_UCHEM_ID 89; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 89 CONFIDENCE standard compound; INTERNAL_ID 4022 CONFIDENCE standard compound; INTERNAL_ID 8405 CONFIDENCE standard compound; INTERNAL_ID 3245

Ochratoxin A

(2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoic acid

C20H18ClNO6 (403.08225980000003)

Ochratoxin A is found in barley. Mycotoxin. Ochratoxin A is produced by Aspergillus melleus, Aspergillus sulphureus and Penicillium viridicatum.Potential contaminant of foodstuffs, especially cereals. Ochratoxin A is found in stored grain products in UK (1997).Ochratoxin A, a toxin produced by Aspergillus ochraceus and Penicillium verrucosum, is one of the most abundant food-contaminating mycotoxins in the world. Human exposure occurs mainly through consumption of improperly stored food products, particularly contaminated grain and pork products, as well as coffee, wine grapes and dried grapes. The toxin has been found in the tissues and organs of animals, including human blood and breast milk. Ochratoxin A toxicity has large species- and sex-specific differences Mycotoxin. Production by Aspergillus melleus, Aspergillus sulphureus and Penicillium viridicatum.Potential contaminant of foodstuffs, especially cereals. Found in stored grain products in UK (1997) D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D000077264 - Calcium-Regulating Hormones and Agents D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators

Perphenazine

2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol

C21H26ClN3OS (403.1485016000001)

Perphenazine is only found in individuals that have used or taken this drug. It is an antipsychotic phenothiazine derivative with actions and uses similar to those of chlorpromazine. [PubChem]Binds to the dopamine D1 and dopamine D2 receptors and inhibits their activity. The mechanism of the anti-emetic effect is due predominantly to blockage of the dopamine D2 neurotransmitter receptors in the chemoreceptor trigger zone and vomiting centre. Perphenazine also binds the alpha andrenergic receptor. This receptors action is mediated by association with G proteins that activate a phosphatidylinositol-calcium second messenger system. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Perphenazine is an orally active dopamine receptor and histamine-1 receptor antagonist, with Ki values of 0.56 nM (D2), 0.43 nM (D3), 6 nM (5-HT2A), respectively. Perphenazine also binds to Alpha-1A adrenergic receptor. Perphenazine inhibits cancer cell proliferation, and induces apoptosis. Perphenazine can be used in the research of mental disease, cancer, inflammation[1][3][5].

Propinol adenylate

{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(propanoyloxy)phosphinic acid

C13H18N5O8P (403.0892958)

Propinol adenylate is involved in the propanoate metabolism pathway. Propinol adenylate can be reversibly produced from propanoate or propanoyl-CoA by acetyl-CoA synthetase [EC:6.2.1.1] and propionyl-CoA synthetase [EC:6.2.1.17]. [HMDB] Propinol adenylate is involved in the propanoate metabolism pathway. Propinol adenylate can be reversibly produced from propanoate or propanoyl-CoA by acetyl-CoA synthetase [EC:6.2.1.1] and propionyl-CoA synthetase [EC:6.2.1.17].

6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate

C12H22NO12P (403.08795820000006)

A myo-inositol cyclic phosphate that is 1D-myo-inositol 1,2-cyclic phosphate having an alpha-D-glucosaminyl residue attached at the 6-position.

Roquefortine L

C22H21N5O3 (403.16443160000006)

CONFIDENCE Penicillium bissettii

glandicoline A

C22H21N5O3 (403.16443160000006)

4-Methylpentyl glucosinolate

{[(e)-(5-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}hexylidene)amino]oxy}sulphonic acid

C13H25NO9S2 (403.097068)

4-Methylpentyl glucosinolate is found in brassicas. 4-Methylpentyl glucosinolate is present in radish (Raphanus sativus). Present in radish (Raphanus sativus). 4-Methylpentyl glucosinolate is found in brassicas and radish.

2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside

4-hydroxy-7,8-dimethoxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1,4-benzoxazin-3-one

C16H21NO11 (403.1114556)

Constituent of wheat and sweet corn (Zea mays). 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in cereals and cereal products and fats and oils. 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside is found in cereals and cereal products. It is a constituent of wheat and sweet corn (Zea mays).

Hexyl glucosinolate

{[(e)-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}heptylidene)amino]oxy}sulphonic acid

C13H25NO9S2 (403.097068)

N-hexyl glucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. N-hexyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). N-hexyl glucosinolate can be found in radish, which makes N-hexyl glucosinolate a potential biomarker for the consumption of this food product. Hexyl glucosinolate is found in brassicas. Hexyl glucosinolate is present in radish (Raphanus sativus) and in kohlrabi aroma.

3-Methylpentyl glucosinolate

{[(e)-(4-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}hexylidene)amino]oxy}sulphonic acid

C13H25NO9S2 (403.097068)

Constituent of Raphanus sativus (radish) and Wasabia japonica (Japanese horseradish). 3-Methylpentyl glucosinolate is found in many foods, some of which are brassicas, wasabi, radish, and root vegetables. 3-Methylpentyl glucosinolate is found in brassicas. 3-Methylpentyl glucosinolate is a constituent of Raphanus sativus (radish) and Wasabia japonica (Japanese horseradish)

3'-(1-Butylphosphoryl)adenosine

{[5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(butoxy)phosphinic acid

C14H22N5O7P (403.12567920000004)

(R)N-(5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl)phenylalanine

2-{[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)(hydroxy)methylidene]amino}-3-phenylpropanoic acid

C20H18ClNO6 (403.08225980000003)

Alpidem

2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

C21H23Cl2N3O (403.1218088)

D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic

Amibegron

ethyl 2-[(7-{[2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]acetate

C22H26ClNO4 (403.1550266000001)

Azoxystrobin

methyl 2-(2-{[6-(2-cyanophenoxy)pyrimidin-4-yl]oxy}phenyl)-3-methoxyprop-2-enoate

C22H17N3O5 (403.1168152)

Cetefloxacin

7-(3-amino-2-methylazetidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

C20H16F3N3O3 (403.11437020000005)

Hydroxyethylflurazepam

7-chloro-1-{2-[ethyl(2-hydroxyethyl)amino]ethyl}-5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one

C21H23ClFN3O2 (403.146274)

(2S,3S)-3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine

C20H19F6NO (403.13707560000006)

Pitavastatin Lactone

(e,3R,5S)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid

C25H22FNO3 (403.1583634)

Pelargonidin 3-arabinoside

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

C20H19O9 (403.10290240000006)

Pelargonidin 3-arabinoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-arabinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pelargonidin 3-arabinoside can be found in a number of food items such as gooseberry, strawberry, black elderberry, and blackcurrant, which makes pelargonidin 3-arabinoside a potential biomarker for the consumption of these food products.

Oganomycin E

Deacetyl-7-methoxycephalosporin C

C15H21N3O8S (403.10493060000005)

(+)-3-O-(3-Hydroxybutyryl)tazettinol

C21H25NO7 (403.163094)

Nobilisitine B

C21H25NO7 (403.163094)

Hamigeran D

C21H26BrNO2 (403.11467960000004)

Isopentyenyladenine riboside monophoshate

C14H22N5O7P (403.12567920000004)

5-[(Alanylhomoserinyl-beta-aspartyl)oxy]-1,2-dihydro-4-hydroxy-3H-pyrazol-3-one

C14H21N5O9 (403.1339216)

N-(2-Glucosidyl-2-phenylethyl)benzamide

C21H25NO7 (403.163094)

Taccalin

3,5,7,4-Tetrahydroxyflavylium 3-xyloside

C20H19O9 (403.10290240000006)

SCHEMBL8162901

C23H21N3O4 (403.15319860000005)

5-(4-methoxyanilino)-5-oxo-3-(3,4,5-trimethoxyphenyl)pentanoic acid

C21H25NO7 (403.163094)

Oprea1_336944

C23H21N3O2S (403.13544060000004)

TEB_M404

C16H23ClN3O5P (403.1063788)

CONFIDENCE Transformation product, tentative ID (Level 2b); INTERNAL_ID 2503

N,N-Dimethyl-3,4-dihydro-1-acetyl-1,6,7-trimethoxy-8-(methyldithio)-1H-2-benzothiopyran-5-amine

C17H25NO4S3 (403.09456500000005)

12-(2-hydroxy-ethyl)-14xi-methyl-5,11,16-trioxo-(7xiH,12xiH,13xiH,15xiH)-1,2,15,20-tetrahydro-21-nor-seneciona-1(8),2-diene-13-carboxylic acid lactone|Inaepuidenine|Inaequidenin|inaequidenine

C21H25NO7 (403.163094)

Ochratoxin A

NCGC00162403-05_C20H18ClNO6_L-Phenylalanine, N-[[(3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-

C20H18ClNO6 (403.08225980000003)

A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum. D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D009676 - Noxae > D011042 - Poisons > D009793 - Ochratoxins D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins D000077264 - Calcium-Regulating Hormones and Agents D009676 - Noxae > D002273 - Carcinogens D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 5966 CONFIDENCE Reference Standard (Level 1)

(2Z)-2-methylbut-2-enoic acid rel-(7R,9S)-7,8,9,10-tetrahydro-5-hydroxy-7-(1-hydroxy-1-methylethyl)-4-methyl-10-methyleneoxepino[2,3-g]benzothiazol-9-yl ester|(8beta,10alpha)-8-(angeloyloxy)-5,10-epoxythiazolo[5,4-a]bisabola-1,3,5,7(14)-tetraene-4,11-diol

(2Z)-2-methylbut-2-enoic acid rel-(7R,9S)-7,8,9,10-tetrahydro-5-hydroxy-7-(1-hydroxy-1-methylethyl)-4-methyl-10-methyleneoxepino[2,3-g]benzothiazol-9-yl ester|(8beta,10alpha)-8-(angeloyloxy)-5,10-epoxythiazolo[5,4-a]bisabola-1,3,5,7(14)-tetraene-4,11-diol

C21H25NO5S (403.14533600000004)

3-(L-alanyl-L-homoserinyl-L-aspartyl-betacarboxy)-4-hydroxy-5-oxopyrazole

C14H21N5O9 (403.1339216)

N-(1-Carboxy-2-methylbutyl)-Lachnanthopyridone

C23H17NO6 (403.1055822)

C22H26ClNO4

C22H26ClNO4 (403.1550266000001)

meta-topolin 9-glucoside

C18H21N5O6 (403.14917660000003)

cladoniamide C

C22H17N3O5 (403.1168152)

An organic heterohexacyclic compound that is cladoniamide B in which both of the chlorines are replaced by hydrogen. It has been isolated from the culture broth of Streptomyces uncialis.

(+)-azonazine|ent-(+)-azonazine

C23H21N3O4 (403.15319860000005)

1-O-acetyl-3-O-methyl-6-oxonarcissidine

C21H25NO7 (403.163094)

5-Hexenyl glucosinolate

C13H25NO9S2 (403.097068)

2-(5-hydroxy-1,6-dioxo-7-phenyl-1H,6H-benzo[de]isoquinolin-2-yl)-3-methyl-pentanoic acid|N-(1-Carboxy-2-methylbutyl)-lachnanthopyridon

C24H21NO5 (403.14196560000005)

ortho-topolin-9-glucoside

C18H21N5O6 (403.14917660000003)

Clivatine

C21H25NO7 (403.163094)

D,L-malbrancheamide

C21H23Cl2N3O (403.1218088)

3-(Methylthiomethyl)cephalosporin C

C15H21N3O6S2 (403.0871726)

3e^?(1-Butylphosphoryl)adenosine

C14H22N5O7P (403.12567920000004)

perphenazine

Perphenazine aka 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol

C21H26ClN3OS (403.1485016000001)

N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AB - Phenothiazines with piperazine structure D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Perphenazine is an orally active dopamine receptor and histamine-1 receptor antagonist, with Ki values of 0.56 nM (D2), 0.43 nM (D3), 6 nM (5-HT2A), respectively. Perphenazine also binds to Alpha-1A adrenergic receptor. Perphenazine inhibits cancer cell proliferation, and induces apoptosis. Perphenazine can be used in the research of mental disease, cancer, inflammation[1][3][5].

Pelargonidin 3-arabinoside

[C20H19O9]+ (403.10290240000006)

MMV021057

C22H17N3O5 (403.1168152)

4-Methylpentyl glucosinolate

{[(E)-(5-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxy}sulfonic acid

C13H25NO9S2 (403.097068)

Annotation level-3

SR58611

C22H26ClNO4 (403.1550266000001)

CONFIDENCE standard compound; INTERNAL_ID 243; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7982; ORIGINAL_PRECURSOR_SCAN_NO 7980 CONFIDENCE standard compound; INTERNAL_ID 243; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8004; ORIGINAL_PRECURSOR_SCAN_NO 8002 CONFIDENCE standard compound; INTERNAL_ID 243; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8021; ORIGINAL_PRECURSOR_SCAN_NO 8019 CONFIDENCE standard compound; INTERNAL_ID 243; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8035; ORIGINAL_PRECURSOR_SCAN_NO 8032 CONFIDENCE standard compound; INTERNAL_ID 243; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8017; ORIGINAL_PRECURSOR_SCAN_NO 8015 CONFIDENCE standard compound; INTERNAL_ID 243; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8034; ORIGINAL_PRECURSOR_SCAN_NO 8030

Ala Cys Asn Pro

(2S)-1-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid