Exact Mass: 411.0721

Exact Mass Matches: 411.0721

Found 82 metabolites which its exact mass value is equals to given mass value 411.0721, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

dADP

[({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

C10H15N5O9P2 (411.0345)

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

ethyl 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

C15H14Cl2F3N3O3 (411.0364)

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

Turgorin

C13H15O13S- (411.0233)

Gonyautoxin I

{4-[(carbamoyloxy)methyl]-5,10,10-trihydroxy-2,6-diimino-decahydropyrrolo[1,2-c]purin-9-yl}oxidanesulfonic acid

C10H17N7O9S (411.0808)

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 (411.1093)

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

4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid

C17H12F3N3O4S (411.0501)

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

1-Cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-sulfO-1-piperazinyl)-3-quinolinecarboxylic acid

C17H18FN3O6S (411.09)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones

Lintitript

2-(2-{[4-(2-chlorophenyl)-1,3-thiazol-2-yl]carbamoyl}-1H-indol-1-yl)acetic acid

C20H14ClN3O3S (411.0444)

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

1-Cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-2-sulphO-1,4-dihydroquinoline-3-carboxylic acid

C17H18FN3O6S (411.09)

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones

1-O-(3-Hydroxybutyryl)pancratistatin

C18H21NO10 (411.1165)

4-[3-(trifluoromethyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol

C18H16F3N3O3S (411.0864)

Carfentrazone-ethyl

Pesticide4_Carfentrazone-ethyl_C15H14Cl2F3N3O3_alpha,2-Dichloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluorobenzenepropanoic acid ethyl ester

C15H14Cl2F3N3O3 (411.0364)

D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals

4-[[4-(4-fluorophenyl)-3-piperidinyl]methoxy]-2-methoxy-, hydrogen sulfate (ester), (3S-trans)-Pheno

C19H22FNO6S (411.1152)

Sulfociprofloxacin

C17H18FN3O6S (411.09)

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

1-[4-(6-bromo-benzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]-ethanone

C21H18BrNO3 (411.047)

celecoxib carboxylic

C17H12F3N3O4S (411.0501)

Gonyautoxin IV

C10H17N7O9S (411.0808)

4-(PERFLUOROHEXYL)ANILINE

C12H6F13N (411.0293)

Resorufin β-D-glucuronide sodium salt

C18H14NNaO9 (411.0566)

N-(4-acetylphenyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C22H21NO5S (411.114)

4-(4-TERT-BUTYLPHENYL)-N-(2-CHLOROPHENYL)-5-CYAN-AMIDE-4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXAMIDE

C20H18ClN5OS (411.0921)

2,3,5-TRI-O-ACETYL-8-FLUORO ADENOSINE

C16H18FN5O7 (411.119)

2.4.6-TRICHLORO-1.3.5-TRIPHENYLBORAZINE

C18H15B3Cl3N3 (411.0611)

Oxitropium Bromide

C19H26BrNO4 (411.1045)

ZM 323881 HCl

ZM 323881 hydrochloride

C22H19ClFN3O2 (411.115)

O-benzyl-L-methionine toluene-p-sulphonate

C19H25NO5S2 (411.1174)

4(1H)-Pyridazinone, 6-methyl-3-(2-quinolinylmethoxy)-1-(3-(trifluorome thyl)phenyl)-

C22H16F3N3O2 (411.1195)

(9H-Fluoren-9-yl)methyl 2,4-dichloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate

C21H15Cl2N3O2 (411.0541)

Adenosine, 1-methyl-,hydriodide (1:1)

C11H18IN5O4 (411.0403)

G-1

1-(4-(6-Bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-ethanone

C21H18BrNO3 (411.047)

C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen

cefdinir sulfoxide

C14H13N5O6S2 (411.0307)

1(2H)-Pyridinecarboxylic acid, 4-(5-bromo-4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-3,6-dihydro-, 1,1-dimethylethyl ester

C17H19BrClN3O2 (411.0349)

Thiazolidine, 2-(4-methylphenyl)-3-[(4-phenoxyphenyl)sulfonyl]- (9CI)

C22H21NO3S2 (411.0963)

2,3,5-Tri-O-acetyl-2-fluoroadenosine

C16H18FN5O7 (411.119)

4-[1-[4-(AMINOSULFONYL)PHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-5-YL]BENZOIC ACID

C17H12F3N3O4S (411.0501)

Sofosbuvir metabolites GS566500

C13H19FN3O9P (411.0843)

Darinaparsin

C12H22AsN3O6S (411.0445)

C274 - Antineoplastic Agent > C177298 - Mitochondrial Targeting Antineoplastic Agent

Unii-IC9O2HT1X1

C14H10F5N3O4S (411.0312)

C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent

Bendamustine hydrochloride monohydrate

C16H24Cl3N3O3 (411.0883)

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

C15H14Cl2F3N3O3 (411.0364)

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

C15H14Cl2F3N3O3 (411.0364)

Allyl-{4-[3-(4-bromo-phenyl)-benzofuran-6-yloxy]-but-2-enyl}-methyl-amine

C22H22BrNO2 (411.0834)

4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile

C18H16F3N3O5 (411.1042)

Methyl 3-Chloro-2-{3-[(2,5-Dihydroxy-4-Methoxyphenyl)amino]-3-Oxopropyl}-4,6-Dihydroxybenzoate

C18H18ClNO8 (411.0721)

Gonyautoxin-1

C10H17N7O9S (411.0808)

2-methyl-3-{4-[4-(trifluoromethoxy)phenoxy]phenyl}quinolin-4(1H)-one

C23H16F3NO3 (411.1082)

3-[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-N-phenyl-1-pyrazolecarboxamide

C21H21N3O2S2 (411.1075)

4-chloro-3-(diethylsulfamoyl)-N-(2-nitrophenyl)benzamide

C17H18ClN3O5S (411.0656)

N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide

C24H17N3O2S (411.1041)

2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester

C21H17NO6S (411.0777)

N-(1,3-benzothiazol-2-yl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetamide

C19H17N5O2S2 (411.0824)

2-[[(6-Chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]methyl]isoindole-1,3-dione

C20H14ClN3O3S (411.0444)

2-(5-chloropyridin-2-yl)-4-[(E)-(5-ethyl-1,3,4-thiadiazol-2-yl)iminomethyl]-3-hydroxyisoquinolin-1-one

C19H14ClN5O2S (411.0557)

(E)-2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C22H16F3N3O2 (411.1195)

QSY35 succinimidyl ester

C18H13N5O7 (411.0815)

2-(4-bromophenyl)-1-(4-ethoxyphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium

C22H24BrN2O+ (411.1072)

5-Carboxymethylaminomethyluridine 5-monophosphate

C12H18N3O11P (411.0679)

Butoconazole(1+)

C19H18Cl3N2S+ (411.0256)

(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

C10H17N7O9S (411.0808)

[(2R,3S)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

C10H15N5O9P2 (411.0345)

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 (411.0345)

COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

Lintitript

SR 27897(Lintitript)

C20H14ClN3O3S (411.0444)

Celecoxib Carboxylic Acid

4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid

C17H12F3N3O4S (411.0501)

Gonyautoxin I

C10H17N7O9S (411.0808)

Gonyautoxin 1

C10H17N7O9S (411.0808)

dADP

C10H15N5O9P2 (411.0345)

A purine 2-deoxyribonucleoside 5-diphosphate having adenine as the nucleobase.

LPS 8:3;O2

C14H22NO11P (411.093)

VU6019650

C18H22FN3O3S2 (411.1087)

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 (411.0601)

{"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"}

(3as,4r,9r,10as)-6-amino-10,10-dihydroxy-4-[(c-hydroxycarbonimidoyloxy)methyl]-2-imino-9-(sulfooxy)-1h,3h,3ah,4h,8h,9h-pyrrolo[1,2-c]purin-5-ium-5-olate

C10H17N7O9S (411.0808)

(1r,2r,3s,4s,4ar,11br)-2,3,4,6,7-pentahydroxy-1h,2h,3h,4h,4ah,9h,11bh-[1,3]dioxolo[4,5-j]phenanthridin-1-yl (3s)-3-hydroxybutanoate

C18H21NO10 (411.1165)