Exact Mass: 261.07994620000005
Exact Mass Matches: 261.07994620000005
Found 459 metabolites which its exact mass value is equals to given mass value 261.07994620000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Lotaustralin
Lotaustralin is a cyanogenic glycoside. Lotaustralin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Epilotaustralin is found in cereals and cereal products. Epilotaustralin is isolated from Triticum monococcum (wheat). Glycoside from Trifolium repens (white clover) and other plants Lotaustralin is a cyanogenic glucoside isolated from Manihot esculenta [1].
Oxolinic acid
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3609 CONFIDENCE standard compound; INTERNAL_ID 1034 D004791 - Enzyme Inhibitors
Imazapyr
CONFIDENCE standard compound; INTERNAL_ID 2630 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
O-Phosphotyrosine
O-Phosphotyrosine is a phosphorylated amino acid that occurs in a number of proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis. Small amounts of free phosphotyrosine can be found in urine (PMID: 7693088). Levels of this amino acid appear to be elevated in mammalian urine during liver regeneration (PMID: 7516161). Phosphotyrosine is also able to induce platelet aggregation in vitro and it has been suggested that free phosphotyrosine in blood could be meaningful for in vivo platelet activation (PMID: 1282059). [HMDB] O-Phosphotyrosine is a phosphorylated amino acid that occurs in a number of proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis. Small amounts of free phosphotyrosine can be found in urine (PMID: 7693088). Levels of this amino acid appear to be elevated in mammalian urine during liver regeneration (PMID: 7516161). Phosphotyrosine is also able to induce platelet aggregation in vitro and it has been suggested that free phosphotyrosine in blood could be meaningful for in vivo platelet activation (PMID: 1282059).
Aminoparathion
Aminoparathion is a highly reactive metabolite of parathion. A highly reactive metabolite of parathion [HMDB]
NS-102
NS-102 is a selective kainate (GluK2) receptor antagonist. NS-102 is a potent GluR6/7 receptor antagonist[1][2][3].
flumequine
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors CONFIDENCE standard compound; INTERNAL_ID 1030 CONFIDENCE standard compound; INTERNAL_ID 8533 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3642
Flumequine
Ciprofloxacin is a broad-spectrum antibiotic that is active against both Gram-positive and Gram-negative bacteria. It functions by inhibiting DNA gyrase, a type II topoisomerase, and topoisomerase IV, enzymes necessary to separate bacterial DNA, thereby inhibiting cell division. Flumequine is a 9-fluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid. The molecular formula is C14H12FNO3 It is a white powder, odorless, flavorless, insoluble in water but soluble in organic solvent. Flumequine is a synthetic chemotherapeutic antibiotic of the fluoroquinolone drug class used to treat bacterial infections. It is a first-generation fluoroquinolone antibacterial that has been removed from clinical use and is no longer being marketed. It kills bacteria by interfering with the enzymes that cause DNA to unwind and duplicate. Flumequine was used in veterinarian medicine for the treatment of enteric infections (all infections of the intestinal tract), as well as to treat cattle, swine, chickens, and fish, but only in a limited number of countries. It was occasionally used in France (and a few other European Countries) to treat urinary tract infections under the trade name Apurone. However this was a limited indication because only minimal serum levels were achieved. The first quinolone used was nalidixic acid (was marketed in many countries as Negram) followed by the fluoroquinolone flumequine. The first-generation fluoroquinolone agents, such as flumequine, had poor distribution into the body tissues and limited activity. As such they were used mainly for treatment of urinary tract infections. Flumequine (benzo quinolizine) was first patented in 1973, (German Patent) by Rikker Labs. Flumequine is a known antimicrobial compound described and claimed in U.S. Pat. No. 3,896,131 (Example 3), July 22, 1975. Flumequine is the first quinolone compound with a fluorine atom at the C6-position of the related quinolone basic molecular structure. Even though this was the first fluoroquinolone, it is oftentimes overlooked when classifying the drugs within this class by generations and excluded from such a list. There continues to be considerable debate as to whether or not this DNA damage is to be considered one of the mechanisms of action concerning the severe adverse reactions experienced by some patients following fluoroquinolone therapy. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D004791 - Enzyme Inhibitors
Glycyl-Tryptophan
Glycyl-Tryptophan is a dipeptide composed of glycine and tryptophan. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Epidermin
Epidermin is found in cereals and cereal products. Epidermin is a constituent of barley (Hordeum vulgare) Constituent of barley (Hordeum vulgare). Epidermin is found in barley and cereals and cereal products.
Dihydromaleimide beta-D-glucoside
C10H15NO7 (261.08484799999997)
Dihydromaleimide beta-D-glucoside is found in pulses. Dihydromaleimide beta-D-glucoside is an alkaloid from Pisum sativum (peas Alkaloid from Pisum sativum (peas). Dihydromaleimide beta-D-glucoside is found in pulses and common pea.
Pisatoside
C10H15NO7 (261.08484799999997)
Isolated from seedlings of Pisum sativum (peas). Pisatoside is found in pulses and common pea. Pisatoside is found in pulses. Pisatoside is isolated from seedlings of Pisum sativum (peas).
gamma-Glutamylasparagine
gamma-Glutamylasparagine is a dipeptide composed of gamma-glutamate and asparagine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. gamma-Glutamylasparagine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Asparaginylglutamic acid
Asparaginylglutamic acid is a dipeptide composed of asparagine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Glutamylasparagine
Glutamylasparagine is a dipeptide composed of glutamate and asparagine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylasparagine is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Aspartyl-Glutamine
Aspartyl-Glutamine is a dipeptide composed of aspartate and glutamine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Glutaminylaspartic acid
Glutaminylaspartic acid is a dipeptide composed of glutamine and aspartic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Tryptophyl-Glycine
Tryptophyl-Glycine is a dipeptide composed of tryptophan and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Tolfenamic acid
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AG - Fenamates Tolfenamic acid (TA) is one of the class of non-steroidal anti-inflammatory drugs (NSAIDs). It is used to treat the symptoms of migraine. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Dehydrogenated ticlopidine
Dehydrogenated ticlopidine is only found in individuals that have used or taken Ticlopidine. Dehydrogenated ticlopidine is a metabolite of Ticlopidine. Dehydrogenated ticlopidine belongs to the family of Thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring.
Aspartyl-Gamma-glutamate
Aspartyl-Gamma-glutamate is a dipeptide composed of aspartate and gamma-glutamate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Camelinin
Camelinin is found in fats and oils. Camelinin is isolated from seeds of Camelina sativa (false flax). Isolated from seeds of Camelina sativa (false flax). Camelinin is found in fats and oils.
Succinyl Carnitine
Succinylcarnitine is an acylcarnitine. More specifically, it is an succinic 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. Succinylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine Succinylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980), it has been identified in the human placenta (PMID: 32033212 ). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
2-Methoxyacetaminophen sulfate
C9H11NO6S (261.03070660000003)
2-Methoxyacetaminophen sulfate, also known as 4-(acetylamino)-3-methoxyphenyl hydrogen sulfate, is a member of the class of compounds known as phenylsulfates. Phenylsulfates are compounds containing a sulfuric acid group conjugated to a phenyl group. 2-Methoxyacetaminophen sulfate is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa).
O-methylmalonyl-L-carnitine
O-methylmalonyl-L-carnitine is considered to be practically insoluble (in water) and acidic
O-Sulfotyrosine
C9H11NO6S (261.03070660000003)
O-Sulfotyrosine belongs to the class of organic compounds known as phenylalanine and derivatives. Phenylalanine and derivatives are compounds containing phenylalanine or a derivative thereof resulting from a reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. O-Sulfotyrosine has been identified as a potential plasma biomarker of reduced kidney function in early chronic kidney disease (CKD), end stage renal disease (ESRD), and hemodialytic clearance (PMID: 31048706). Human plasma levels of O-sulfotyrosine were reported to be influenced by genetic variants in the gene ARSA which codes for the enzyme arylsulfatase A (PMID: 24816252).
O-Methylmalonylcarnitine
O-Methylmalonylcarnitine is an acylcarnitine. More specifically, it is an methylmalonic 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. O-Methylmalonylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine O-Methylmalonylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
4-[2-[(Benzothiazol-2-yl)thio]ethyl]-1H-imidazole
1-beta-D-Arabinofuranosyl-5-fluorocytosine
5-[1-Carboxy-2-(trimethylazaniumyl)ethoxy]-5-oxopentanoate
Acetamide, N-[2-(5-methoxy-1-nitroso-1H-indol-3-yl)ethyl]-
2-Phenylpyrazolo(4,3-c)quinolin-3(5H)-one
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists
1-(3-Methylbenzoyl)-1H-indazole-3-carbonitrile
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
Cyclic-hpmpc
Cicletanine
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics
Dehydroxymethylepoxyquinomicin
2,6-Diamino-3,5-dihydro-7-(3-thienylmethyl)-4H-pyrrolo(3,2-d)pyrimidin-4-one
(2S,5R)-3,3-Dimethyl-2-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
(4S)-4-Amino-1,3-dioxohexane-1,2,6-tricarboxylic acid
N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]-N-nitrosoacetamide
Epiheterodendrin
Epiheterodendrin is a member of the class of compounds known as cyanogenic glycosides. Cyanogenic glycosides are glycosides in which the aglycone moiety contains a cyanide group. Epiheterodendrin is soluble (in water) and a very weakly acidic compound (based on its pKa). Epiheterodendrin can be found in barley, which makes epiheterodendrin a potential biomarker for the consumption of this food product.
3-(4-chlorobenzyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
3-Amino-4-(tert-butyl)thieno[2,3-b]thiophene-2,5-dicarbonitrile
(2E,4E,6E)-N-(2-methylpropyl)-7-(2-thienyl)-2,4-6-heptatrienamide|(2E,4E,6E)-N-isobutyl-7-(2-thienyl)-2,4,6-heptatrienamide|(2E,4E,6E)-N-isobutyl-7-(2-thienyl)heptatrienamide|N-Isobutylotanthusic acid amide|Otanthussaeure-isobutylamid
Annomontine
An alkaloid that is beta-carboline substituted at position C-1 by a 2-aminopyrimidin-4-yl moiety. An antiparasitic agent found in Annona montana and Annona foteida.
Me glycoside,N,2-di-Ac-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
N-Ac,Tri-Me ester-(R)-2-Amino-1,1,2-ethanetricarboxylic acid|N-Ac,Tri-Me ester-(??)-2-Amino-1,1,2-ethanetricarboxylic acid
C10H15NO7 (261.08484799999997)
2-hydroxymethylbutanenitrile beta-D-glucopyranoside|supinanitriloside A
5-(1H-Indol-3-yl)-5-methoxy-4-thioxoimidazolidin-2-one
Me glycoside,N,4-di-Ac-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
2-aceto-3-amino-5-hydroxy-6-methoxy-1,4-naphthoquinone|goniothalaminone B
methyl 5-acetamido-1,7-anhydro-3,5-dideoxy-beta-D-galacto-octulopyranoside
(2R)-2-methyl-3-(beta-D-glucopyranosyloxy)butanenitrile
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]pentanedioic acid
Tryptophylglycine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.392
tolfenamic acid
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AG - Fenamates D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D011448 - Prostaglandin Antagonists C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002491 - Central Nervous System Agents > D000700 - Analgesics D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Gly-Trp
A dipeptide formed from glycine and L-tryptophan residues.
C11H19NO6_Butanenitrile, 2-(beta-D-glucopyranosyloxy)-2-methyl
C11H19NO6_3-(beta-D-Glucopyranosyloxy)-2-methylbutanenitrile
Lotaustralin
Lotaustralin is a cyanogenic glycoside. Lotaustralin is a natural product found in Osteospermum ecklonis, Lotus arenarius, and other organisms with data available. Lotaustralin is a cyanogenic glucoside isolated from Manihot esculenta [1].
Tris(2-hydroxyethyl) isocyanurate
CONFIDENCE standard compound; INTERNAL_ID 582; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2494; ORIGINAL_PRECURSOR_SCAN_NO 2492 CONFIDENCE standard compound; INTERNAL_ID 582; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2502; ORIGINAL_PRECURSOR_SCAN_NO 2499 CONFIDENCE standard compound; INTERNAL_ID 582; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2512; ORIGINAL_PRECURSOR_SCAN_NO 2508 CONFIDENCE standard compound; INTERNAL_ID 582; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2513; ORIGINAL_PRECURSOR_SCAN_NO 2510 CONFIDENCE standard compound; INTERNAL_ID 582; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2505; ORIGINAL_PRECURSOR_SCAN_NO 2504
ETHYL 1-BENZYL-3-HYDROXY- 2-OXO[5H]PYRROLE-4-CARBOXYLATE
Asp-GLN
A dipeptide formed from L-alpha-aspartyl and L-glutamine residues.
TRP-Gly
A dipeptide formed from L-tryptophan and glycine residues.
Isosuccinimide b-D-glucoside
C10H15NO7 (261.08484799999997)
Pisatoside
C10H15NO7 (261.08484799999997)
Sulfamide, [2-hydroxy-5-[(3-hydroxypropyl)amino]phenyl]- (9CI)
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,3a-dihydroimidazo[4,5-b]pyridin-2-one
2-AMINO-4-(4-ETHYLPHENYL)THIOPHENE-3-CARBOXYLICACIDMETHYLESTER
C14H15NO2S (261.08234500000003)
8-ACETYL-6-METHOXY-7-METHYL-6H-[1,2,5]OXADIAZOLO[3,4-E]INDOLE 3-OXIDE
5-Fluorocytidine
5-Fluorocytidine is a member of cytidines, inhibits maturation of the 45S ribosomal RNA precursor[1].
ethyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
C14H15NO2S (261.08234500000003)
methyl 2-amino-5-ethyl-4-phenylthiophene-3-carboxylate
C14H15NO2S (261.08234500000003)
4-Allyl-5-(4-methoxy-benzyl)-4H-[1,2,4]triazole-3-thiol
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzothiazole
1,2,4-Triazin-5(2H)-one,3,4-dihydro-2-b-D-ribofuranosyl-3-thioxo-
C8H11N3O5S (261.04193960000003)
2-(1,3-dioxoisoindol-2-yl)-4-methyl-pentanoic acid
2-(3,5-DIMETHYL-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
C14H15NO2S (261.08234500000003)
2-[(6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl]benzonitrile
C12H8ClN3O2 (261.03050179999997)
3-AMINO-3-(5,7-DIMETHYL-4-OXO-4H-CHROMEN-3-YL)-PROPIONIC ACID
(3,5-DIMETHYLPHENYLAMINO)THIOPHEN-2-YL-ACETICACID
C14H15NO2S (261.08234500000003)
6-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-hexanoic
2-CHLORO-1-[2,5-DIMETHYL-1-(4-METHYLPHENYL)-1H-PYRROL-3-YL]-1-ETHANONE
Tricaine methanesulfonate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
2-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzaldehyde
3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzaldehyde
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine
2-chloro-5-(3,5-dimethylphenyl)pyridine-3-carboxylic acid
N-(3-Aminopropyl)-D-α-asparagine dihydrochloride
C7H17Cl2N3O3 (261.06469119999997)
4-(4-chloro-phenoxy)-cyclohexylamine hydrochloride
C12H17Cl2NO (261.06871320000005)
8-Quinolinol sulfate hydrate (1:1:1)
C9H11NO6S (261.03070660000003)
2-AMINO-4-(3,4-DIMETHYLPHENYL)THIOPHENE-3-CARBOXYLICACIDMETHYLESTER
C14H15NO2S (261.08234500000003)
6-(4-METHANESULFONYL-PHENYL)-PYRIDINE-3-CARBALDEHYDE
Benzenesulfonamide,4-methyl-N-(2-methylphenyl)-
C14H15NO2S (261.08234500000003)
Benzenesulfonamide,4-methyl-N-(4-methylphenyl)-
C14H15NO2S (261.08234500000003)
Benzenemethanaminium,N,N-dimethyl-N-(phenylmethyl)-, chloride (1:1)
ethyl 2-(3-ethylphenyl)-1,3-thiazole-4-carboxylate
C14H15NO2S (261.08234500000003)
4-[(4-methoxyphenyl)amino]benzenediazonium chloride
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[d]thiazole
7-Ethoxycarbonylindole-2-carboxylic acid ethyl ester
2-[3-[(4-nitrophenyl)methyl]imidazol-4-yl]acetic acid
8-(4-fluorophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
2-(Cyclohexylthio)isoindoline-1,3-dione
C14H15NO2S (261.08234500000003)
(2-AMINO-4-METHYL-PHENYL)-CARBAMICACIDTERT-BUTYLESTER
C14H15NO2S (261.08234500000003)
4-Chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyridine hydrochloride
C10H14BCl2NO2 (261.04945940000005)
3-Phenyl-3-(2,2,2-trifluoroacetamido)propanoic Acid
4-BENZYL-2-(CHLOROMETHYL)MORPHOLINE HYDROCHLORIDE
C12H17Cl2NO (261.06871320000005)
alpha-(4-Methylsulfonylphenyl)benzylamine
C14H15NO2S (261.08234500000003)
ethyl 2-(7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetate
3-Quinolinecarboxylic acid, 1-ethyl-1,2-dihydro-4-hydroxy-2-oxo-, ethyl ester
4-(4,4-Dimethyl-2,6-dioxo-1-piperidinyl)benzoic acid
methyl 2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
C14H15NO2S (261.08234500000003)
4-chloro-1-(6-methoxypyridin-2-yl)pyrazolo[3,4-d]pyrimidine
2-methyl-N-(4-methylphenyl)benzenesulfonamide
C14H15NO2S (261.08234500000003)
Benzenemethanamine,a-methyl-N-[(1R)-1-phenylethyl]-,hydrochloride (1:1), (aR)-
2-(3,4-DIMETHYL-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
C14H15NO2S (261.08234500000003)
4-[2-(benzenesulfonyl)ethyl]aniline
C14H15NO2S (261.08234500000003)
4-CHLORO-7-(2-FURYLMETHYL)-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDINE
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole
2,3-Dimethoxy-5-sulfamoylbenzoic acid
C9H11NO6S (261.03070660000003)
Ancitabine hydrochloride
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents Ancitabine (hydrochloride) is an important antileukemia drugs.
propyl 2-amino-4-phenylthiophene-3-carboxylate
C14H15NO2S (261.08234500000003)
2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
4-[(2-ETHOXY-3,4-DIOXOCYCLOBUT-1-ENYL)AMINO]BENZOIC ACID
1H-Pyrrole-2,5-dione,1-[2-(3,4-dimethoxyphenyl)ethyl]-
N-(1,3-Dioxo-2,8-diazaspiro[4.5]dec-2-yl)acetamide hydrochloride (1:1)
C10H16ClN3O3 (261.08801359999995)
N-(4-ethylphenyl)benzenesulfonamide
C14H15NO2S (261.08234500000003)
3,3-({[(2-Methyl-2-propanyl)oxy]carbonyl}imino)dipropanoic acid (non-preferred name)
5,6-DIHYDRO-1,3(2H)-PYRIDINEDICARBOXYLIC ACID, 3-METHYL 1-PHENYL ESTER
Benzenamine,2-methyl-4-[2-(2-methylphenyl)diazenyl]-, hydrochloride (1:1)
Butanoic acid,4-oxo-4-[[3-(trifluoromethyl)phenyl]amino]-
2-AMINO-5-METHYL-4-P-TOLYL-THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
C14H15NO2S (261.08234500000003)
2-(1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)-3-METHYLPENTANOIC ACID
Ethyl 5-amino-1-(4-methoxyphenyl)-1H-pyrazole-4-carboxylate
(2-Oxo-2,3,5,6-tetrahydrospiro[indole-3,4-pyran]-1(2H)-yl)ac etic acid
ETHYL 2-(3,5-DICHLOROPHENYL)THIAZOLE-4-CARBOXYLATE
C14H15NO2S (261.08234500000003)
ETHYL 2-(4-ETHYLPHENYL)THIAZOLE-4-CARBOXYLATE
C14H15NO2S (261.08234500000003)
1-THIOPHEN-2-YLMETHYL-PIPERIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
(3,4-difluorophenyl)-piperidin-4-ylmethanone,hydrochloride
ETHYL 8-HYDROXY-[1,3]DIOXOLO[4,5-G]QUINOLINE-7-CARBOXYLATE
6-FLUORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfanylacetic acid
C14H15NO2S (261.08234500000003)
[(1-Isopropyl-1H-benzimidazol-2-yl)methyl]amine dihydrochloride
C11H17Cl2N3 (261.07994620000005)
methyl (E)-3-(4-fluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
methyl 2-[(4-fluorophenyl)-(1,2,4-triazol-1-yl)methyl]prop-2-enoate
2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)thioxanthen-9-one
5-Chloro-10-methylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione
C12H8ClN3O2 (261.03050179999997)
ethyl 6-hydroxy-7-methylpyrrolo[2,3-g][2,1,3]benzoxadiazole-8-carboxylate
1-(TERT-BUTOXYCARBONYL)-1H-INDOLE-5-CARBOXYLIC ACID
4-ALLYL-5-[(4-METHYLPHENOXY)METHYL]-4H-1,2,4-TRIAZOLE-3-THIOL
alpha-(3-Methylsulfonylphenyl)benzylamine
C14H15NO2S (261.08234500000003)
METHYL (3-CHLOROQUINOXALIN-2-YL)(CYANO)ACETATE
C12H8ClN3O2 (261.03050179999997)
2-(3,4-Dichlorphenoxy)-N,N-diethylethanamin
C12H17Cl2NO (261.06871320000005)
1,4,5,6-TETRAHYDRO-2-METHYL-6-OXO-4-[4-(METHOXY)PHENYL]-3-PYRIDINECARBOXYLIC ACID
ethyl 4,4-difluoro-3-oxo-2-(piperidin-1-ylmethylene)butanoate
4-tert-butyl 3-methyl thiomorpholine-3,4-dicarboxylate
tert-butyl 4-bromo-5,6-dihydropyridine-1(2H)-carboxylate
(4-CHLORO-PHENYL)-(5-HYDROXY-CYCLOPENT-1-ENYL)-METHANONE
(2-Chloro-pyridin-4-yl)-piperazin-1-yl-Methanone hydrochloride
8-(3-forMylphenyl)-4-Methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-iuM-8-uide
phenyl (2-fluoro-4-(hydroxymethyl)phenyl)carbamate
3-[(3-methylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZO[D]THIAZOLE
(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
Ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate
C14H15NO2S (261.08234500000003)
5-(Furan-2-yl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole-1-carboxamide
4-(5-Chloro-2H-benzotriazol-2-yl)-1,3-benzenediol
C12H8ClN3O2 (261.03050179999997)
2-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
boc-(r)-5,5-dimethylthiazolidine-4-carboxylic acid
Benzenesulfonamide,N-(2,4-dimethylphenyl)-
C14H15NO2S (261.08234500000003)
Benzenesulfonamide, N,4-dimethyl-N-phenyl-
C14H15NO2S (261.08234500000003)
METHYL 2,3-DIMETHYL-8-OXO-5,6,7,8-TETRAHYDRO-1-OXA-7A-AZAINDACENE-4-CARBOXYLATE
2-hydroxy-N-(2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl)benzamide
1-Benzyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester
2-Thiophenecarboxylic acid (4-acetamidophenyl) ester
3-(4,8-Dimethyl-quinolin-2-ylsulfanyl)-propionic acid
C14H15NO2S (261.08234500000003)
6-(4-Chlorophenyl)-2-methyl-3-pyridinecarboxylic acid methyl ester
l-1,2-Diphenyl-1-dimethylaminoethane hydrochloride
3-(Benzyl(methyl)amino)-1-(thiophen-2-yl)propan-1-ol
(4R)-3-tert-Butoxycarbonyl-2,2-dimethylthiazolidine-4-carboxylic acid
1H-Indole-2-carboxylic acid, 1-(trimethylsilyl)-, ethyl ester
N-(5-Isopropyl-thiazol-2-YL)-2-pyridin-3-YL-acetamide
3-[({(1e)-[2-(Trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic Acid
[2-Aminomethyl-5-Oxo-4-(4-Oxo-Cyclohexa-2,5-Dienylmethyl)-4,5-Dihydro-Imidazol-1-Yl]-Acetaldehyde
oxolinic acid
A quinolinemonocarboxylic acid having the carboxy group at position 7 as well as oxo- and ethyl groups at positions 4 and 1 respectively and a dioxolo ring fused at the 5- and 6-positions. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01M - Quinolone antibacterials D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D004791 - Enzyme Inhibitors
Cicletanine
C - Cardiovascular system > C03 - Diuretics > C03B - Low-ceiling diuretics, excl. thiazides D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics
pentalenolactone E(1-)
A monocarboxylic acid anion that is the conjugate base of pentalenolactone E, obtained by deprotonation of the carboxy group; major species at pH 7.3.
2-[(5-Amino-1-hydroxy-1-oxopentan-2-yl)amino]pentanedioic acid
C10H17N2O6- (261.10865620000004)
(2S)-2-[(2-azaniumylacetyl)amino]-3-(1H-indol-3-yl)propanoate
4-(Acetylamino)-3-methoxyphenyl hydrogen sulfate
C9H11NO6S (261.03070660000003)
3-[1-Carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-2-methyl-3-oxopropanoate
3-[(2R)-1-carboxy-3-(trimethylazaniumyl)propan-2-yl]oxy-2-methyl-3-oxopropanoate
(2S,5R)-3,3-Dimethyl-2-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one
Ala-Asp-Gly
A tripeptide composed of L-alanine, L-aspartic acid, and glycine units joined in sequence by peptide linkages.
3-(3,5-Dimethyl-1-pyrazolyl)-1,2-benzothiazole 1,1-dioxide
2-Methyl-5-phenyl-3,5-dihydropyrazolo[1,5-c]quinazoline
3-(4-Chlorophenyl)-6-(1-pyrrolidinyl)-1,2,4,5-tetrazine
5-(methoxymethyl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
2-Hydroxy-5-[[(5-methyl-2-furanyl)-oxomethyl]amino]benzoic acid
3-ethyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one
5-Ethoxy-2-[(prop-2-enylamino)methylidene]-1-benzothiophen-3-one
C14H15NO2S (261.08234500000003)
4-methyl-N-[sulfanylidene-(1,2,4-triazol-4-ylamino)methyl]benzamide
5-(4-Morpholinyl)-2-thiophen-2-yl-4-oxazolecarbonitrile
5-[(2-Cyanoethylthio)methyl]-2-benzofurancarboxylic acid
(4-Hydroxy-2-oxo-1,2-dihydro-quinolin-3-yl)-acetic acid propyl ester
2-(4-Chloro-2-methylanilino)-3-pyridinecarboxamide
2-(7-Methyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)acetic acid methyl ester
(3Z,6Z)-dodeca-3,6-dien-1-yl sulfate
An organosulfate oxoanion that is the conjugate base of (3Z,6Z)-dodeca-3,6-dien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.
5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-oxopentanoate
(4R)-4-[(2S,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxopentanoate
1H-Indole-2,3-dione, 5-isopropyl-1-(trimethylsilyl)-
Aminoparathion
An organic thiophosphate that is 4-aminophenol in which the hydroxy group is replaced by a (diethoxyphosphorothioyl)oxy group. It is a metabolite of parathion.
O(4)-sulfo-L-tyrosine
C9H11NO6S (261.03070660000003)
An O-sulfoamino acid that is L-tyrosine in which the phenolic hydrogen has been replaced by a sulfo group.
2-Methoxyacetaminophen sulfate
C9H11NO6S (261.03070660000003)
A member of the class of acetamides that is paracetamol sulfate substituted by a methoxy group at position 3.
O-methylmalonylcarnitine
An O-acylcarnitine having methylmalonyl as the acyl substituent.
O-methylmalonyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group specified is methylmalonyl.
O(4)-phospho-L-tyrosine
A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group.
2-deoxy-5,6-dihydroxy-5,6-dihydrocytidine
A nucleoside analogue that is the 5,6-dihydroxy-5,6-dihydro derivative of cytidine. It is a metabolite produced by the bacterium Mycoplasma genitalium.
Ancitabin hydrochloride
Ancitabine (hydrochloride) is an important antileukemia drugs.
4,4-Diphenylbutylamine (hydrochloride)
4,4-Diphenylbutylamine shows affinity for the 5-HT2A and H1 receptors with Kis of 2589 and 1670 nM, respectively[1].
Etilevodopa (hydrochloride)
Etilevodopa (L-Dopa ethyl ester) hydrochloride, an ethyl-ester proagent of Levodopa, is rapidly hydrolyzed to Levodopa and ethanol by nonspecific esterases in the gastrointestinal tract. Etilevodopa hydrochloride is used for the treatment of Parkinson disease (PD). Levodopa is the direct precursor of dopamine and is a suitable proagent as it facilitates CNS penetration and delivers dopamine[1][2][3].