Exact Mass: 407.0628
Exact Mass Matches: 407.0628
Found 121 metabolites which its exact mass value is equals to given mass value 407.0628,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Glucoiberverin
An thia-alkylglucosinolic acid that is propylglucosinolic acid in which a hydrogen attached to the terminal carbon of the propyl group has been replaced by a methylsulfanediyl group.
4-Mercaptobutyl glucosinolate
4-Mercaptobutyl glucosinolate is found in brassicas. 4-Mercaptobutyl glucosinolate is isolated from the leaves of Eruca sativa (rocket). Isolated from the leaves of Eruca sativa (rocket). 4-Mercaptobutyl glucosinolate is found in brassicas.
Erysothiopine
Erysothiopine is found in green vegetables. Erysothiopine is an alkaloid from the seeds of Erythrina glauca (gallito
5-Hydroxy, 6-methoxy duloxetine sulfate
5-Hydroxy, 6-methoxy duloxetine sulfate is a metabolite of duloxetine. Duloxetine (sold under the brand names Cymbalta, Ariclaim, Xeristar, Yentreve, Duzela) is a serotonin-norepinephrine reuptake inhibitor (SNRI) manufactured and marketed by Eli Lilly. It is effective for major depressive disorder and generalized anxiety disorder (GAD). (Wikipedia)
(E)-4-Chloro-N-(3-(3-(4-hydroxy-3-methoxyphenyl)acryloyl)phenyl)benzamide
Floxacrine
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Pyrazolopyridine analog
Terutroban
Glucoibervirin
Glucoibervirin is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. Glucoibervirin is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). Glucoibervirin can be found in a number of food items such as rocket salad (sspecies), chinese mustard, kohlrabi, and chinese cabbage, which makes glucoibervirin a potential biomarker for the consumption of these food products.
(16-hydroxy-3beta-methoxy-erythrina-1,6-dien-15-yloxysulfonyl)-acetic acid|(16-Hydroxy-3beta-methoxy-erythrina-1,6-dien-15-yloxysulfonyl)-essigsaeure|(3beta)-1,2,6,7-tetradehydro-3-methoxy-erythrinan-15,16-diol, 15-S-ester with sulfoaceticacid|Erysothiopine|Erysotrine
JTE-013
3-Methylthiopropyl-Glucosinolate
Acquisition and generation of the data is financially supported by the Max-Planck-Society
PharmaGSID_48506
CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4364; ORIGINAL_PRECURSOR_SCAN_NO 4361 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4388; ORIGINAL_PRECURSOR_SCAN_NO 4386 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4368; ORIGINAL_PRECURSOR_SCAN_NO 4366 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4379; ORIGINAL_PRECURSOR_SCAN_NO 4377 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4383; ORIGINAL_PRECURSOR_SCAN_NO 4381 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9274; ORIGINAL_PRECURSOR_SCAN_NO 9269 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9271; ORIGINAL_PRECURSOR_SCAN_NO 9270 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9273; ORIGINAL_PRECURSOR_SCAN_NO 9271 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9287; ORIGINAL_PRECURSOR_SCAN_NO 9284 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9304; ORIGINAL_PRECURSOR_SCAN_NO 9303 CONFIDENCE standard compound; INTERNAL_ID 1004; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9292; ORIGINAL_PRECURSOR_SCAN_NO 9291
Cys Asp Gly Asn
Cys Asp Asn Gly
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Cys Asn Asp Gly
Cys Asn Gly Asp
Asp Cys Gly Asn
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Asp Asn Cys Gly
Asp Asn Gly Cys
Gly Cys Asp Asn
Gly Cys Asn Asp
Gly Asp Cys Asn
Gly Asp Asn Cys
Gly Asn Cys Asp
Gly Asn Asp Cys
Asn Cys Asp Gly
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Erysothiopine
4-Mercaptobutyl glucosinolate
2-([4-(2-Chlorophenyl)-3-ethoxycarbonyl-6-methyl-2-picolinyl]methoxyacetic acid
3-(2-BROMO-2-ETHOXYCARBONYL-VINYL)-2-METHYL-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(4-CHLORO-PHENYL)-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-ACETIC ACID
1-NAPTHALENEPROPANOIC ACID, 6-(((4-CHLOROPHENYL)SULFONYL)AMINO)-5,6,7,8-TETRAHYDRO-2-METHYL
(5S)-5-(5-Bromo-2,3-dihydro-1-benzofuran-7-yl)-8-chloro-3-methyl- 2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
Benzenesulfonic acid, 4-[4-[[4-(dimethylamino) phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt
(3-CHLORO-PHENYL)-[(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)]-ACETIC ACID
Arotinolol hydrochloride
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists
GMP disodium salt
5'-Guanylic acid disodium salt (5'-GMP disodium salt) is composed of guanine, ribose, and phosphate moieties and it is a nucleotide monomer in messenger RNA. Guanosine derivatives are involved in intracellular signal transduction and have been identified in repetitive genomic sequences in telomeres, in ribosomal DNA, immunoglobulin heavy‐chain switch regions, and in the control regions of proto-oncogenes[1]. 5'-Guanylic acid disodium salt (5'-GMP disodium salt) is composed of guanine, ribose, and phosphate moieties and it is a nucleotide monomer in messenger RNA. Guanosine derivatives are involved in intracellular signal transduction and have been identified in repetitive genomic sequences in telomeres, in ribosomal DNA, immunoglobulin heavy‐chain switch regions, and in the control regions of proto-oncogenes[1].
TRIMETHYL [2,2:6,2-TERPYRIDINE]-4,4,4-TRICARBOXYLATE
4-(2-BROMOPHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-3,5-PYRIDINEDICARBOXYLICACIDDIETHYLESTER
tert-Butyl (2S,4S)-2-(5-iodo-1H-imidazol-2-yl)-4-(methoxymethyl)pyrrolidine-1-carboxylate
Benzeneacetic acid,a-[[(1,1-diMethylethoxy)carbonyl]aMino]-3-iodo-4-Methoxy
Razupenem
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Clopipazan mesylate
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
3-(2-{(E)-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
{4-[2-Benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
7a-[(4-Cyanophenyl)methyl]-6-(3,5-Dichlorophenyl)-5-Oxo-2,3,5,7a-Tetrahydro-1h-Pyrrolo[1,2-A]pyrrole-7-Carbonitrile
(1S,2S,3R,4S,5S)-2,3,4-Trihydroxy-5-(hydroxymethyl)cyclohexyl (1E)-2-phenyl-N-(sulfooxy)ethanimidothioate
3-Carboxy-7-hydroxy-2,9-dimethoxy-4-methyl-6,11-dioxotetracen-5-olate
(E)-4-Chloro-N-(3-(3-(4-hydroxy-3-methoxyphenyl)acryloyl)phenyl)benzamide
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-4-methylsulfanyl-N-sulfooxybutanimidothioate
3-(5,8-Dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid
N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2,2-difluoroacetamide
4-(2,5-dioxo-1-pyrrolidinyl)-N-[4-(4-methoxyphenyl)-2-thiazolyl]benzamide
N-[5-[[2-(4-methylanilino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-2-(4-morpholinyl)acetamide
[4-Chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]cyanamide
1-(3-Chlorophenyl)-3-[2-(thiophen-2-ylsulfonylamino)phenyl]urea
2-(3-bromophenyl)-6-methyl-N-(1,2,4-triazol-4-yl)-4-quinolinecarboxamide
6-amino-4-[4-(2-amino-2-oxoethoxy)-2-chloro-5-methoxyphenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester
1-(5-methylfuran-2-yl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
1-[Oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester
N-[2-(4-Chloro-benzylsulfanyl)-6-hydroxy-pyrimidin-4-yl]-benzenesulfonamide
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide
4-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-fluorobenzoate
1-(2,6-Dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
n-(3-{1-[2-(3-bromo-4-methoxyphenyl)ethenyl]-2-hydroxy-5-oxoimidazol-4-ylidene}propyl)guanidine
2-hydroxy-7-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methoxy-8-quinolyl sulfate
{"Ingredient_id": "HBIN005770","Ingredient_name": "2-hydroxy-7-[(4-hydroxy-3-methoxyphenyl)methyl]-3-methoxy-8-quinolyl sulfate","Alias": "NA","Ingredient_formula": "C18H17NO8S","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10189","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
