Exact Mass: 411.06005880000004
Exact Mass Matches: 411.06005880000004
Found 79 metabolites which its exact mass value is equals to given mass value 411.06005880000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
dADP
C10H15N5O9P2 (411.03450000000004)
Deoxyadenosine diphosphate has been identified in the mononuclear cells of a patient affected with in inherited adenosine deaminase deficiency (OMIM 102700) (PMID 6980023), and in in mononuclear cells of hemodialyzed patients. (PMID 11461945) [HMDB]. dADP is found in many foods, some of which are medlar, oil palm, greenthread tea, and green vegetables. Deoxyadenosine diphosphate has been identified in the mononuclear cells of a patient affected with in inherited adenosine deaminase deficiency (OMIM 102700) (PMID 6980023), and in in mononuclear cells of hemodialyzed patients. (PMID 11461945). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Carfentrazone-ethyl
CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9627; ORIGINAL_PRECURSOR_SCAN_NO 9624 CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9574; ORIGINAL_PRECURSOR_SCAN_NO 9569 CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9643; ORIGINAL_PRECURSOR_SCAN_NO 9639 CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9545; ORIGINAL_PRECURSOR_SCAN_NO 9543 CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9629; ORIGINAL_PRECURSOR_SCAN_NO 9625 CONFIDENCE standard compound; INTERNAL_ID 587; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9569; ORIGINAL_PRECURSOR_SCAN_NO 9567 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Gonyautoxin I
Gonyautoxin I is found in mollusks. Gonyautoxin I is produced by Gonyaulax and Protogonyaulax species and isolated from shellfish. Neurotoxin, causal agent, with Saxitoxin, of shellfish poisoning. From Gonyaulax and Protogonyaulax subspecies Gonyautoxin IV is found in mollusks. D009676 - Noxae > D011042 - Poisons > D008978 - Mollusk Venoms D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins D009676 - Noxae > D011042 - Poisons > D014688 - Venoms
Tiagabine hydrochloride
C20H26ClNO2S2 (411.10934060000005)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D058805 - GABA Uptake Inhibitors C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents D049990 - Membrane Transport Modulators Tiagabine hydrochloride is a potent and selective GABA reuptake inhibitor, used as an anticonvulsant agent, with IC50s of 67, 446 and 182 nM for [3H]GABA uptake in Synaptosomes, Neurons and Glia, respectively[1].
Carboxycelecoxib
C17H12F3N3O4S (411.05005880000004)
Carboxycelecoxib is a metabolite of celecoxib (PMID: 10681375). Celecoxib (trade name: Celebrex) is a sulfa non-steroidal anti-inflammatory drug (NSAID) and selective COX-2 inhibitor used in the treatment of osteoarthritis, rheumatoid arthritis, acute pain, painful menstruation, and menstrual symptoms, and to reduce numbers of colon and rectum polyps in patients with familial adenomatous polyposis. It is marketed by Pfizer. Celecoxib is available by prescription in capsule form (Wikipedia).
Sulfociprofloxacin
C17H18FN3O6S (411.09003000000007)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Lintitript
C20H14ClN3O3S (411.0444364000001)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
Sulfo-ciprofloxacin
C17H18FN3O6S (411.09003000000007)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
4-[3-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
C18H16F3N3O3S (411.0864422000001)
N-acetylaspatyl-glutamyl-taurine-SO3
C13H21N3O10S (411.09476060000003)
2-Deoxyadenosine-5-diphosphate sodium salt
C10H15N5O9P2 (411.03450000000004)
Carfentrazone-ethyl
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Sulfociprofloxacin
C17H18FN3O6S (411.09003000000007)
An organosulfonic acid that is ciprofloxacin carrying a sulfo group at position 4 of the piperazine ring. It is a metabolite of ciprofloxacin. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones
Ethanone
Resorufin β-D-glucuronide sodium salt
C18H14NNaO9 (411.05662340000003)
4-(4-TERT-BUTYLPHENYL)-N-(2-CHLOROPHENYL)-5-CYAN-AMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXAMIDE
C20H18ClN5OS (411.09205280000003)
2.4.6-TRICHLORO-1.3.5-TRIPHENYLBORAZINE
C18H15B3Cl3N3 (411.06106500000004)
(9H-Fluoren-9-yl)methyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
Adenosine, 1-methyl-,hydriodide (1:1)
C11H18IN5O4 (411.04034980000006)
sodium 5-hydroxy-6-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-1-sulphonate
C16H10N3NaO7S (411.01371500000005)
6-Bromo-1-carbethoxy-4-methyl-2, 7-dibenz[f,ij]isoquinoline-2,7-dione
C20H14BrNO4 (411.01061440000007)
G-1
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
1(2H)-Pyridinecarboxylic acid, 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-3,6-dihydro-, 1,1-dimethylethyl ester
Thiazolidine, 2-(4-methylphenyl)-3-[(4-phenoxyphenyl)sulfonyl]- (9CI)
C22H21NO3S2 (411.09627960000006)
4-[1-[4-(AMINOSULFONYL)PHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]BENZOIC ACID
C17H12F3N3O4S (411.05005880000004)
Darinaparsin
C274 - Antineoplastic Agent > C177298 - Mitochondrial Targeting Antineoplastic Agent
Unii-IC9O2HT1X1
C14H10F5N3O4S (411.0312160000001)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
Bendamustine hydrochloride monohydrate
C16H24Cl3N3O3 (411.08831640000005)
Ethyl (2S)-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate
Ethyl (2R)-2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-4-fluorophenyl}propanoate
Allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine
4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile
C18H16F3N3O5 (411.10420020000004)
Methyl 3-Chloro-2-{3-[(2,5-Dihydroxy-4-Methoxyphenyl)amino]-3-Oxopropyl}-4,6-Dihydroxybenzoate
2-methyl-3-{4-[4-(trifluoromethoxy)phenoxy]phenyl}quinolin-4(1H)-one
2-[[4-(4-Bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid
C17H18BrNO4S (411.01398480000006)
3-[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-N-phenyl-1-pyrazolecarboxamide
4-chloro-3-(diethylsulfamoyl)-N-(2-nitrophenyl)benzamide
C17H18ClN3O5S (411.06556480000006)
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide
2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester
C21H17NO6S (411.07765420000004)
(4-Chlorophenyl)-[6,7-dichloro-4-[(dimethylamino)methyl]-5-hydroxy-2-methyl-3-benzofuranyl]methanone
C19H16Cl3NO3 (411.01957160000006)
2,5-dichloro-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
2-(4-Bromophenyl)-4-quinolinecarboxylic acid (2-oxo-3-oxolanyl) ester
C20H14BrNO4 (411.01061440000007)
N-(1,3-benzothiazol-2-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide
2-[[(6-Chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]isoindole-1,3-dione
C20H14ClN3O3S (411.0444364000001)
2-(5-chloropyridin-2-yl)-4-[(E)-(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-3-hydroxyisoquinolin-1-one
C19H14ClN5O2S (411.05566940000006)
2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium
5-Carboxymethylaminomethyluridine 5-monophosphate
C12H18N3O11P (411.06789280000004)
(2-amino-5,10,10-trihydroxy-6-imino-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl)methyl carbamate
[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
C10H15N5O9P2 (411.03450000000004)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Deoxyadenosine-5-diphosphate
C10H15N5O9P2 (411.03450000000004)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Lintitript
C20H14ClN3O3S (411.0444364000001)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
Celecoxib Carboxylic Acid
C17H12F3N3O4S (411.05005880000004)
dADP
C10H15N5O9P2 (411.03450000000004)
A purine 2-deoxyribonucleoside 5-diphosphate having adenine as the nucleobase.
VU6019650
C18H22FN3O3S2 (411.10865540000003)
VU6019650 is a potent and selective orthosteric antagonist of M5 mAChR (IC50=36 nM), can be used for opioid use disorder (OUD) relief. VU6019650 can cross blood brain barrier, potentially modulates the mesolimbic dopaminergic reward circuitry. VU6019650 blocks Oxotremorine M iodide (HY-101372A) induced increases of neuronal firing rates of midbrain dopamine neurons in the ventral tegmental area (VTA)[1][2].
3,4-dihydroxyphenethyl
C19H23BrClNO2 (411.06005880000004)
{"Ingredient_id": "HBIN007409","Ingredient_name": "3,4-dihydroxyphenethyl","Alias": "NA","Ingredient_formula": "C19H23BrClNO2","Ingredient_Smile": "C1CN(CCC1C2=CC=C(C=C2)Cl)CCC3=CC(=C(C=C3)O)O.Br","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32830","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}