Exact Mass: 240.0680932
Exact Mass Matches: 240.0680932
Found 500 metabolites which its exact mass value is equals to given mass value 240.0680932,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(±)-2-(1-Methylpropyl)-4,6-dinitrophenol
C10H12N2O5 (240.07461819999997)
CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5273; ORIGINAL_PRECURSOR_SCAN_NO 5272 CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5303; ORIGINAL_PRECURSOR_SCAN_NO 5302 CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5259; ORIGINAL_PRECURSOR_SCAN_NO 5256 CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4695; ORIGINAL_PRECURSOR_SCAN_NO 4691 CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4674; ORIGINAL_PRECURSOR_SCAN_NO 4673 CONFIDENCE standard compound; INTERNAL_ID 838; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5235; ORIGINAL_PRECURSOR_SCAN_NO 5234 D010575 - Pesticides > D005659 - Fungicides, Industrial > D004140 - Dinitrophenols CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8186 CONFIDENCE standard compound; EAWAG_UCHEM_ID 257 CONFIDENCE standard compound; INTERNAL_ID 2330 D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D006540 - Herbicides Acaricide and weed kille D016573 - Agrochemicals
DINOTERB
C10H12N2O5 (240.07461819999997)
D010575 - Pesticides > D005659 - Fungicides, Industrial > D004140 - Dinitrophenols CONFIDENCE standard compound; EAWAG_UCHEM_ID 3109 CONFIDENCE standard compound; INTERNAL_ID 915; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5259; ORIGINAL_PRECURSOR_SCAN_NO 5256 CONFIDENCE standard compound; INTERNAL_ID 915; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5260; ORIGINAL_PRECURSOR_SCAN_NO 5259 CONFIDENCE standard compound; INTERNAL_ID 915; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4808; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 915; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5303; ORIGINAL_PRECURSOR_SCAN_NO 5302 CONFIDENCE standard compound; INTERNAL_ID 915; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5235; ORIGINAL_PRECURSOR_SCAN_NO 5234 CONFIDENCE standard compound; INTERNAL_ID 915; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5273; ORIGINAL_PRECURSOR_SCAN_NO 5272
Cyanazine
C9H13ClN6 (240.08901680000002)
CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7787; ORIGINAL_PRECURSOR_SCAN_NO 7785 CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7685; ORIGINAL_PRECURSOR_SCAN_NO 7683 CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7749; ORIGINAL_PRECURSOR_SCAN_NO 7747 CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7714; ORIGINAL_PRECURSOR_SCAN_NO 7710 CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7777; ORIGINAL_PRECURSOR_SCAN_NO 7774 CONFIDENCE standard compound; INTERNAL_ID 46; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7731; ORIGINAL_PRECURSOR_SCAN_NO 7729 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2759 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Bentazone
CONFIDENCE standard compound; INTERNAL_ID 1204; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3883; ORIGINAL_PRECURSOR_SCAN_NO 3880 CONFIDENCE standard compound; INTERNAL_ID 1204; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3853; ORIGINAL_PRECURSOR_SCAN_NO 3852 CONFIDENCE standard compound; INTERNAL_ID 1204; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3872; ORIGINAL_PRECURSOR_SCAN_NO 3871 CONFIDENCE standard compound; INTERNAL_ID 1204; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3882; ORIGINAL_PRECURSOR_SCAN_NO 3878 CONFIDENCE standard compound; INTERNAL_ID 1204; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3897; ORIGINAL_PRECURSOR_SCAN_NO 3895 CONFIDENCE standard compound; INTERNAL_ID 1204; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3872; ORIGINAL_PRECURSOR_SCAN_NO 3868 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8380 CONFIDENCE standard compound; EAWAG_UCHEM_ID 253 CONFIDENCE standard compound; INTERNAL_ID 2313 CONFIDENCE standard compound; INTERNAL_ID 3258 D010575 - Pesticides > D006540 - Herbicides KEIO_ID B072; [MS2] KO008894 D016573 - Agrochemicals KEIO_ID B072
UNII:5K6L8O868Y
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.976 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.978 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.974 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.973 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1].
6-Hydroxyflavanone
A monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 6. Annotation level-1
(1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
(1r,6r)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate, also known as shchc, belongs to gamma-keto acids and derivatives class of compounds. Those are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom (1r,6r)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). (1r,6r)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate can be found in a number of food items such as kiwi, muskmelon, purple laver, and lima bean, which makes (1r,6r)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate a potential biomarker for the consumption of these food products (1r,6r)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate may be a unique E.coli metabolite.
Chrysophanol-9-anthrone
Chrysophanol-9-anthrone, also known as chrysarobin or chrysothrone, is a member of the class of compounds known as anthracenes. Anthracenes are organic compounds containing a system of three linearly fused benzene rings. Thus, chrysophanol-9-anthrone is considered to be an aromatic polyketide lipid molecule. Chrysophanol-9-anthrone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Chrysophanol-9-anthrone can be found in sorrel, which makes chrysophanol-9-anthrone a potential biomarker for the consumption of this food product. C254 - Anti-Infective Agent > C514 - Antifungal Agent
Acetylatractylodinol
Acetylatractylodinol, isolated from Atractylodes lancea, possesses antioxidant activity[1]. Acetylatractylodinol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Acetylatractylodinol, isolated from Atractylodes lancea, possesses antioxidant activity[1]. Acetylatractylodinol is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
4'-Hydroxyflavanone
4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1]. 4'-Hydroxyflavanone is an inhibitor of SREBP maturation and lipid synthesis. 4'-Hydroxyflavanone is a synthetic analogue of flavanone, has potential for hepatic steatosis and dyslipidemia research[1].
Levamisole hydrochloride
C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D018501 - Antirheumatic Agents D007155 - Immunologic Factors C2140 - Adjuvant
o-Hydroxydibenzoylmethane
Origin: Plant, Dibenzoylmethanes
2',5'-Dihydroxychalcone
2,5-Dihydroxychalcone is an antioxidant for edible oils and fat
D-glycero-L-galacto-Octulose
D-Glycero-D-manno-octulose is found in avocado. D-Glycero-D-manno-octulose is present in avocado (Persea gratissima), alfalfa (Medicago sativa), roots of opium poppy (Papaver somniferum
2,4-Dihydroxychalcone
2,4-Dihydroxychalcone is found in fruits. 2,4-Dihydroxychalcone is a constituent of the fruit of Litchi chinensis (lychee). Constituent of the fruit of Litchi chinensis (lychee). 2,4-Dihydroxychalcone is found in fruits.
Lettucenin A
Phytoalexin from Lactuca sativa variety capitata (head lettuce). Lettucenin A is found in lettuce and romaine lettuce. Lettucenin A is found in lettuce. Phytoalexin from Lactuca sativa var. capitata (head lettuce).
3',4'-Dihydroxychalcone
3,4-Dihydroxychalcone is an antioxidant for edible oils and fat
Propyl 1-(propylsulfinyl)propyl disulfide
Propyl 1-(propylsulfinyl)propyl disulfide is found in onion-family vegetables. Propyl 1-(propylsulfinyl)propyl disulfide is a constituent of Allium tricoccum (wood leek). Constituent of Allium tricoccum (wood leek). Propyl 1-(propylsulfinyl)propyl disulfide is found in onion-family vegetables.
4-(1,3-Benzothiazol-2-yl)-2-methylaniline
C14H12N2S (240.07211519999998)
benzoylphenylurea
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent
Doqualast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
Fluindione
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D000925 - Anticoagulants
Idronoxil
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor
Croscarmellose
Food additive. Stabiliser, thickener, moisture control agent, emulsifier. Indirect additive arising by migration from cotton fabrics used in food packaging. Croscarmellose sodium also resolves formulators concerns over long-term functional stability, reduced effectiveness at high tablet hardness levels, and similar problems associated with other products developed to enhance drug dissolution. Croscarmellose sodium is a very commonly used pharmaceutical additive approved by the U.S. Food and Drug Administration (FDA). Its purpose in most tablets - including dietary supplements - is to assist the tablet in disintegrating in the intestinal tract at the required location. If a tablet disintegrating agent is not included, the tablet could disintegrate too slowly, or in the wrong part of the intestine or not at all, thereby reducing the efficacy of the active ingredients.; Croscarmellose sodium is an internally cross-linked sodium carboxymethylcellulose for use as a disintegrant in pharmaceutical formulations. Food additive. Stabiliser, thickener, moisture control agent, emulsifier. Indirect additive arising by migration from cotton fabrics used in food packaging
2,4-Dihydroxychalcone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.137 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.136 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.140
Pyridoxamine dihydrochloride
A hydrochloride obtained by combining pyridoxamine with two molar equivalents of hydrochloric acid. Used for treatment of diabetic nephropathy. Pyridoxylamine dihydrochloride is an advanced glycation end production (AGEs) and lipoxidation end products (ALEs) inhibitor, to protect against diabetes-induced retinal vascular lesions[1].
1-(2-Hydroxy-phenyl)-3-phenyl-propan-1,2-dion|1-(2-hydroxy-phenyl)-3-phenyl-propane-1,2-dione|1-(2-hydroxyphenyl)-3-phenylpropane-1,2-dione|2,beta-dihydroxychalcone
1,6-Dimethoxyphenazine
A member of the class of phenazines that is phenazine substituted by methoxy groups at positions 1 and 6. It is a bacterial metabolite found in Streptomyces thioluteus.
methyl beta-(2-hydroxy-4-carboxy)phenyllactate|Thevefolic acid A
Picrasidine I
Picrasidine I is a natural product found in Picrasma quassioides with data available.
4-acetoxy-2-acetoxymethyl-5,6-epoxy-cyclohex-2-enone
2-Formyl-4-hydroxy-3-hydroxymethyl-6-methoxy-5-methylbenzoic acid
1-Ac-(Z)-7-(3-Hydroxyphenyl)-2-phenyl-4,6-diyn-1-ol|cis-7-(m-Hydroxy-phenyl)-hepten-(2)-diin-(4,6)-yl-acetat|cis-7--hepten-(2)-diin-(4,6)-yl-acetat
3-(2-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
methyl 1-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic Acid
1-ethenyl-4-methoxy-9H-pyrido<3,4-b>indol-5-ol|5-hydroxydehydrocrenatine
6-hydroxyphenazine-1-carboxylic acid
A member of the class of phenazines that is phenazine substituted by a carboxy group at positions 1 and a hydroxy group at position 6. A natural product found in Streptomyces sp. IFM 11204.
2-Aethylmercapto-1-<4-hydroxy-3-methoxy-phenyl>-propanon-(1)|2-Aethylmercapto-1-oxo-1-<4-hydroxy-3-methoxy-phenyl>-propan|2-Aethylthio-1-(4-hydroxy-3-methoxy-phenyl)-propanon-(1)|2-Aethylthio-1-<4-hydroxy-3-methoxy-phenyl>-propan-1-on|2-Aethylthio-1-<4-hydroxy-3-methoxy-phenyl>-propanon-(1)
D-glycero-D-manno-[2]octulose|Dr-1,3tF,4tF,5cF,6cF,7rF,8-Heptahydroxy-octan-2-on
1,4-DPCA
1,4-DPCA, a potent prolyl-4-hydroxylase inhibitor, is a collagen hydroxylation inhibitor in human foreskin fibroblasts with an IC50 of 2.4 μM. 1,4-DPCA inhibits prolyl-4-hydroxylases α isoforms stabilizes HIF-1α protein. 1,4-DPCA also inhibits factor inhibiting HIF (FIH) with an IC50 of 60 μM[1][2].
Kumujian A
1-Ethoxycarbonyl-beta-carboline is a natural product found in Picrasma quassioides and Panax ginseng with data available.
Plicatol_B
Moscatin is a natural product found in Dendrobium loddigesii, Dendrobium moschatum, and other organisms with data available.
Oprea1_401356
7-hydroxyflavanone is a monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 7. 7-Hydroxyflavanone is a natural product found in Dalbergia cochinchinensis, Berberis dictyota, and other organisms with data available.
2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
4,6-dihydroxy-3-(1-hydroxyethyl)-5-methoxy-3H-2-benzofuran-1-one
C11H12O6_(3R,4S)-4,6,8-Trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
4,6-dihydroxy-3-(1-hydroxyethyl)-5-methoxy-3H-2-benzofuran-1-one
4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one
(3R,4S)-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydroisochromen-1-one
2-Hydroxyphenanzine-1-Carboxylic acid
CONFIDENCE standard compound; INTERNAL_ID 188
Fluindione
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AA - Vitamin k antagonists C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent D006401 - Hematologic Agents > D000925 - Anticoagulants
9-Ethyl-3-nitrocarbazole
CONFIDENCE standard compound; INTERNAL_ID 1058; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7748; ORIGINAL_PRECURSOR_SCAN_NO 7746 CONFIDENCE standard compound; INTERNAL_ID 1058; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7749; ORIGINAL_PRECURSOR_SCAN_NO 7747 CONFIDENCE standard compound; INTERNAL_ID 1058; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7807; ORIGINAL_PRECURSOR_SCAN_NO 7805
4,6-dihydroxy-3-(1-hydroxyethyl)-5-methoxy-3H-2-benzofuran-1-one_major
4,6-Dihydroxy-3-(1-hydroxyethyl)-5-methoxy-2-benzofuran-1(3H)-one
4,6,8-Trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
5-CHLORO-7-(PYRIDIN-4-YL)QUINOLINE
C14H9ClN2 (240.04542239999998)
3-(Dimethylamino)-2-[3-(trifluoromethyl)phenyl]acrylonitrile
C12H11F3N2 (240.08742819999998)
N-[4-[acetyl(methyl)amino]phenyl]-2-chloroacetamide
C11H13ClN2O2 (240.06655080000002)
1-(4-METHYLSULFANYLPHENYL)-1H-BENZOIMIDAZOLE
C14H12N2S (240.07211519999998)
3-Chloro-4-piperazinobenzoic Acid
C11H13ClN2O2 (240.06655080000002)
3-(2,2,2-Trimethylhydrazinyl)-propanoic acid methyl ester bromide
ETHYL 2-CHLORO-2-[2-(2-METHYLPHENYL)HYDRAZONO]-ACETATE
C11H13ClN2O2 (240.06655080000002)
Acetic acid,2,2-[(4-methyl-1,2-phenylene)bis(oxy)]bis- (9CI)
(1S,3S,5S)-2-AZABICYCLO[3.1.0]HEXANE-3-CARBOXAMIDE 2,2,2-TRIFLUOROACETATE
C8H11F3N2O3 (240.07217319999998)
7H-Spiro[furo[3,4-b]pyridine-5,4-piperidin]-7-one hydrochloride
C11H13ClN2O2 (240.06655080000002)
(6R,7R)-7-Amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
(r)-3-amino-4-(4-cyanophenyl)butanoic acid hydrochloride
C11H13ClN2O2 (240.06655080000002)
N-(6-Chloro-3-formylpyridin-2-yl)pivalamide
C11H13ClN2O2 (240.06655080000002)
4,5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate
C5H12N4O5S (240.05283819999997)
1-(5-Chloro-2-nitrophenyl)piperidine
C11H13ClN2O2 (240.06655080000002)
1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
(s)-3-amino-4-(2-cyanophenyl)butanoic acid hydrochloride
C11H13ClN2O2 (240.06655080000002)
2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
C10H14BClN2O2 (240.08368040000002)
1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one dihydrochloride
2-CHLORO-N-[(ETHYLAMINO)CARBONYL]-2-PHENYLACETAMIDE
C11H13ClN2O2 (240.06655080000002)
3-(2-phenylethenylsulfonyl)propanoic acid
C11H12O4S (240.04562719999998)
3-Chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridazine
C10H14BClN2O2 (240.08368040000002)
Ethyl 3-(2-fluoro-4-methoxyphenyl)-3-oxopropanoate
3-OXO-2-(THIOPHENE-2-CARBONYL)BUTYRIC ACID ETHYL ESTER
C11H12O4S (240.04562719999998)
2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
C14H9FN2O (240.06988759999996)
2-chloropyrimidine-5-boronic acid pinacol ester
C10H14BClN2O2 (240.08368040000002)
Idazoxan Hydrochloride
C11H13ClN2O2 (240.06655080000002)
Idazoxan hydrochloride (RX 781094 hydrochloride) is an α2-adrenoceptor antagonist and is also a imidazoline receptors (IRs) antagonist competitively antagonized the centrally induced hypotensive effect of imidazoline-like agents (IMs). Idazoxan hydrochloride also improves motor symptoms in Parkinson’s disease, L-DOPA-induced dyskinesias, and experimental Parkinsonism[1][2].
4,7-Dioxo-7-thiophen-2-yl-heptanoic acid
C11H12O4S (240.04562719999998)
Tetramisole hydrochloride
C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist C2140 - Adjuvant
N-(2-chloro-6-formylpyridin-3-yl)pivalamide
C11H13ClN2O2 (240.06655080000002)
2-CHLORO-4-PIPERAZINOBENZOIC ACID
C11H13ClN2O2 (240.06655080000002)
7-Ethyl-8-mercapto-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
4-Methyl-piperidine-1-carboxamidineSulfateorHemisulfate
1(2H)-Naphthalenone,3,4-dihydro-2-(2-thienylmethylene)-
1-PHENYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBALDEHYDE
2-Amino-4-(3-chloropropoxy)-5-methoxybenzonitrile
C11H13ClN2O2 (240.06655080000002)
7-amino-3-[(z)-prop-1-enyl]-3-cephem-4-carboxylic acid
3-(2-Chloro-2-phenylethyl)-1,3-thiazolidin-2-imine
ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-3-carboxylate
2-[[4-(chloromethyl)phenyl]methoxy]oxane
C13H17ClO2 (240.09170120000002)
3-THIOPHEN-2-YL-PIPERAZINE-1-CARBOXYLIC ACID ETHYL ESTER
N-(2-Chloro-3-formylpyridin-4-yl)pivalamide
C11H13ClN2O2 (240.06655080000002)
3-(aminomethyl)-N-(cyclopropylmethyl)benzenesulfonamide
Methyl (E)-3-methoxy-2-(2-chloromethylphenyl)-2-propenoate
Ethyl 2-amino-1H-indole-3-carboxylate hydrochloride
C11H13ClN2O2 (240.06655080000002)
TERT-BUTYL 6,7-DIHYDROTHIAZOLO[4,5-C]PYRIDINE-5(4H)-CARBOXYLATE
5-(1H-Indol-2-yl)-3-methoxy-1H-pyrrole-2-carbaldehyde
2-CHLORO-N-{[(3,4-DIMETHYLPHENYL)AMINO]CARBONYL}ACETAMIDE
C11H13ClN2O2 (240.06655080000002)
4-(1,3-Benzothiazol-2-ylmethyl)aniline
C14H12N2S (240.07211519999998)
6-oxa-3,9-dithiabicyclo[9.3.1]pentadeca-1(15),11,13-triene
C12H16OS2 (240.06425259999997)
4-(3-CHLOROPHENYL)TETRAHYDRO-2H-PYRAN-4-CARBOXYLIC ACID
diethyl 2-oxo-3H-pyrimidine-4,5-dicarboxylate
C10H12N2O5 (240.07461819999997)
Ethyl (2-methoxy-4-nitrophenyl)carbamate
C10H12N2O5 (240.07461819999997)
4-Thiazolemethanamine, N-methyl-2-phenyl-, hydrochloride (1:1)
N-(4-Methylphenyl)-1,3-benzothiazol-2-amine
C14H12N2S (240.07211519999998)
6-Chloropyrazine-2-boronic acid pinacol ester
C10H14BClN2O2 (240.08368040000002)
2-[(2-ETHOXY-2-OXOETHYL)SULFANYL]BENZENECARBOXYLIC ACID
C11H12O4S (240.04562719999998)
2-(3-AMINOPROPYL)ISOINDOLINE-1,3-DIONE HYDROCHLORIDE
C11H13ClN2O2 (240.06655080000002)
(4-CHLORO-2-(CYCLOPENTYLOXY)PHENYL)BORONIC ACID
C11H14BClO3 (240.07244740000002)
(r)-3-amino-4-(2-cyanophenyl)butanoic acid hydrochloride
C11H13ClN2O2 (240.06655080000002)
(s)-3-amino-4-(3-cyanophenyl)butanoic acid hydrochloride
C11H13ClN2O2 (240.06655080000002)
(s)-3-amino-4-(4-cyanophenyl)butanoic acid hydrochloride
C11H13ClN2O2 (240.06655080000002)
ethyl 6-thiophenoimidazole-2-methoxymethyl-3-carboxylate
ethyl 3-ethoxy-2-(2,2,2-trifluoroacetyl)acrylate
C9H11F3O4 (240.06094019999998)
4,5-DIMETHOXY-2-(METHOXYCARBONYL)PHENYLBORONIC ACID
C10H13BO6 (240.08051480000003)
(r)-3-amino-4-(3-cyanophenyl)butanoic acid hydrochloride
C11H13ClN2O2 (240.06655080000002)
1-TRIFLUOROMETHYL-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE
C12H11F3N2 (240.08742819999998)
4-(6-Methyl-2-benzothiazolyl)benzeneamine
C14H12N2S (240.07211519999998)
3-(4-fluorophenyl)-3-oxo-2-(4-pyridyl)propionitrile
C14H9FN2O (240.06988759999996)
(4-fluoro-3-nitrophenyl)carbamic acid tert butyl ester
Palmitoyl-Cys((RS)-2,3-di(palmitoyloxy)-propyl)-Ala-Gly-OH
C11H16N2S2 (240.07548559999998)
Methyl 3-methoxy-4-(methylamino)-5-nitrobenzoate
C10H12N2O5 (240.07461819999997)
3,3,5-Trimethoxy-5-Methyl-2,6-Dioxa-3,5-Disilaheptane
1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
Ethyl 2-chloro-2-[2-(4-methylphenyl)hydrazono]-acetate
C11H13ClN2O2 (240.06655080000002)
4-(3-butenylsulfonyl)phenylboronic acid
C10H13BO4S (240.06275680000002)
2,3,4,5-Tetrahydro-8-(trifluoromethyl)-1H-pyrido[4,3-b]indole
C12H11F3N2 (240.08742819999998)
3-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOLE-4-CARBALDEHYDE
1-(2-chloro-3-hydroxyphenyl)pyrrolidine-2-carboxamide
C11H13ClN2O2 (240.06655080000002)
3-carbethoxy-1,1,1-trifluorohexane-2,5-dione
C9H11F3O4 (240.06094019999998)
4-(4-CHLORO-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID
2-(6-(Trifluoromethyl)pyridin-2-yl)propan-2-amine hydrochloride
(4-((CYCLOPROPYLMETHYL)SULFONYL)PHENYL)BORONIC ACID
C10H13BO4S (240.06275680000002)
2-CHLORO-6-(NAPHTHALEN-1-YL)PYRAZINE
C14H9ClN2 (240.04542239999998)
2-CHLORO-6-(NAPHTHALEN-2-YL)PYRAZINE
C14H9ClN2 (240.04542239999998)
4-(1,3-Benzothiazol-2-yl)-2-methylaniline
C14H12N2S (240.07211519999998)
Rolafagrel
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent C471 - Enzyme Inhibitor
Methyl 2-[(2-methoxy-2-oxoethyl)thio]benzoate
C11H12O4S (240.04562719999998)
carbamothioic acid S-[2-(2-methoxyanilino)-2-oxoethyl] ester
(2S)-2-(3-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
1-(2-Chloro-4-pyrimidinyl)-4-piperidinecarboxamide
2-(2-Oxo-2-phenylethoxy)cyclohepta-2,4,6-trien-1-one
6-Chloro-2-methyl-3,4-dihydro-2H-1-benzopyran-2-acetic acid
1-Oxo-1H-pyrimido[1,2-a]quinoline-2-carboxylic acid
Trimethylsilyl (phenylsulfanyl)acetate
C11H16O2SSi (240.06402359999998)
5-Hydroxy-3-[(1r)-1-(1h-Pyrrol-2-Yl)ethyl]-2h-Indol-2-One
IDRONOXIL
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor
3-Hydroxyflavanone
The simplest member of the class of dihydroflavonols that is flavanone with a hydroxy substituent at the 3-position. A monohydroxyflavanone in which the hydroxy group is located at position 3.
N-(2,3-dihydroxybenzoyl)-L-serinate
The conjugate base of N-(2,3-dihydroxybenzoyl)-L-serine; major species at pH 7.3.
5-(Dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile
(1S,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
(2S,3R)-2-(2-aminoanilino)-3-hydroxybutanedioic acid
C10H12N2O5 (240.07461819999997)
6-(L-erythro-1,2-dihydroxypropyl)-lumazine
C9H12N4O4 (240.08585119999998)
(2R,3S)-2-hydroxy-3-[(4-hydroxyphenyl)methyl]butanedioic acid
Eucomic acid, (-)-
A natural product found particularly in Lotus japonicus and Lycoris radiata.
6-Methyl-2-(trifluoromethyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
(3S,4R,5S,6R,7R)-1,3,4,5,6,7,8-heptahydroxyoctan-2-one
6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
C9H12N4O4 (240.08585119999998)
3-(4-Hydroxy-3,5-dimethoxyphenyl)oxirane-2-carboxylic acid
2-[(2S)-butan-2-yl]-4,6-dinitrophenol
C10H12N2O5 (240.07461819999997)
2-[(2R)-butan-2-yl]-4,6-dinitrophenol
C10H12N2O5 (240.07461819999997)
2-[(2-Chlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
2-[(4-Chlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidine
(Z)-3-(4-methylanilino)-2-thiophen-3-ylprop-2-enenitrile
C14H12N2S (240.07211519999998)
3-(6-Hydroxy-7-methoxy-1,3-benzodioxol-5-yl)propanoic acid
3-(7-Hydroxy-6-methoxy-1,3-benzodioxol-5-yl)propanoic acid
Methyl S-trimethylsilylthiosalicylate
C11H16O2SSi (240.06402359999998)
4-(Methylthio)benzoic acid, trimethylsilyl ester
C11H16O2SSi (240.06402359999998)
2-(Methylthio)benzoic acid, trimethylsilyl ester
C11H16O2SSi (240.06402359999998)
3-(Methylthio)benzoic acid, trimethylsilyl ester
C11H16O2SSi (240.06402359999998)
Methylphosphonothioate, O-isobutyl, S-trimethylsilyl
C8H21O2PSSi (240.07690960000002)
4-Cyanomethyl-3-methyl-1-para-tolyl-3-pyrroline-2,5-dione
2-Normal-butylthio-5-aminothiazolo(5,4-D)pyrimidine
C9H12N4S2 (240.05033519999998)
2-(3-CARBOXYPROPIONYL)-6-hydroxy-cyclohexa-2,4-diene carboxylIC ACID
4-hydroxy-7-(1-hydroxy-2-(methylamino)ethyl)benzo[d]thiazol-2(3H)-one
Cyanazine
C9H13ClN6 (240.08901680000002)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
DINOSEB
C10H12N2O5 (240.07461819999997)
D010575 - Pesticides > D005659 - Fungicides, Industrial > D004140 - Dinitrophenols D010575 - Pesticides > D007306 - Insecticides D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid
S-anthraniloyl-L-cysteine
An L-cysteine derivative obtained by formal condensation of the carboxy group of anthranilic acid with the side-chain thiol group of L-cysteine.
4849F
An azaarene that is benzo[c]cinnoline with methoxy substituents at positions 1 and 10. It is isolated from Streptomyces sp. strain 4849 with pharmaceutical potential as an inhibitor of interleukin-4 receptor (IL-4).
KL1333
KL1333, a derivative of β-lapachone, is an orally available NAD+ modulator. KL1333 reacts with NAD(P)H:quinone oxidoreductase 1 (NQO1) as a substrate, resulting in increases in intracellular NAD+ levels via NADH oxidation. KL1333 improves energy metabolism and mitochondrial dysfunction in MELAS fibroblasts. KL1333 protects against Cisplatin-induced ototoxicity in mouse cochlear cultures[1][2].
NCS-382 (sodium)
NCS-382 (sodium) is a potent GABA receptor antagonist. NCS-382 (sodium) has anti-sedative and anti-hypnotic activities and can be used in research related to neurological diseases[1].