Exact Mass: 222.0173

Isofraxidin

C11H10O5 (222.0528)

Isofraxidin, also known as 6,8-dimethoxy-7-hydroxycoumarin or 7-hydroxy-6,8-dimethoxy-2h-1-benzopyran-2-one, is a member of the class of compounds known as 7-hydroxycoumarins. 7-hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. Isofraxidin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Isofraxidin can be found in muskmelon, tarragon, and watermelon, which makes isofraxidin a potential biomarker for the consumption of these food products. Isofraxidin is a chemical compound found in a variety of plants including Eleutherococcus senticosus . Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].

Fraxidin

C11H10O5 (222.0528)

Fraxidin is a hydroxycoumarin. Fraxidin is a natural product found in Artemisia minor, Melilotus messanensis, and other organisms with data available. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2344 Fraxidin is a class of coumarin isolated from the roots of Jatropha podagrica, exhibits antibacterial activity against Bacillus subtilis with an inhibition zone of 12 mm at a concentration of 20 μg/disk[1][2]. Fraxidin is a class of coumarin isolated from the roots of Jatropha podagrica, exhibits antibacterial activity against Bacillus subtilis with an inhibition zone of 12 mm at a concentration of 20 μg/disk[1][2].

Acetazolamide

C4H6N4O3S2 (221.9881)

One of the carbonic anhydrase inhibitors that is sometimes effective against absence seizures. It is sometimes useful also as an adjunct in the treatment of tonic-clonic, myoclonic, and atonic seizures, particularly in women whose seizures occur or are exacerbated at specific times in the menstrual cycle. However, its usefulness is transient often because of rapid development of tolerance. Its antiepileptic effect may be due to its inhibitory effect on brain carbonic anhydrase, which leads to an increased transneuronal chloride gradient, increased chloride current, and increased inhibition. (From Smith and Reynard, Textbook of Pharmacology, 1991, p337) S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EC - Carbonic anhydrase inhibitors D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics CONFIDENCE standard compound; EAWAG_UCHEM_ID 3011

2-succinylbenzoate

C11H10O5 (222.0528)

O-succinylbenzoate, also known as 4-(2-carboxyphenyl)-4-oxobutyric acid or 2-(3-carboxypropionyl)benzoic acid, is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. O-succinylbenzoate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). O-succinylbenzoate can be synthesized from benzoic acid. O-succinylbenzoate can also be synthesized into 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA. O-succinylbenzoate can be found in a number of food items such as nectarine, green bean, japanese persimmon, and rye, which makes O-succinylbenzoate a potential biomarker for the consumption of these food products. O-succinylbenzoate may be a unique E.coli metabolite.

SCHEMBL2931008

C12H11ClO2 (222.0448)

3-Sulfomuconate

C6H6O7S (221.9834)

4-Sulfolactone

C6H6O7S (221.9834)

Leptodactylone

C11H10O5 (222.0528)

Sphagnum acid

C11H10O5 (222.0528)

6-(2-Methoxyvinyl)benzo[1,3]dioxole-5-carboxylic acid

C11H10O5 (222.0528)

Bromisoval

C6H11BrN2O2 (222.0004)

D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic Same as: D01391

2-Hydroxy-7-hydroxymethylchromene-2-carboxylate

C11H10O5 (222.0528)

2-Hydroxy-4-hydroxymethylbenzalpyruvate

C11H10O5 (222.0528)

2,4'-Dichlorobiphenyl

C12H8Cl2 (222.0003)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

4,4-PCB

C12H8Cl2 (222.0003)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

PCB 9

C12H8Cl2 (222.0003)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

2,6-Dichlorobiphenyl

C12H8Cl2 (222.0003)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

PCB 14

C12H8Cl2 (222.0003)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

Tert-Butylbicyclophosphorothionate

C8H15O3PS (222.0479)

D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants

3-Deoxy-D-Lyxo-Heptopyran-2-ularic Acid

C7H10O8 (222.0376)

Isofraxidin

C11H10O5 (222.0528)

Isofraxidin is a hydroxycoumarin. Isofraxidin is a natural product found in Artemisia alba, Artemisia assoana, and other organisms with data available. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].

Tomentin[coumarin]

C11H10O5 (222.0528)

Fraxinol

C11H10O5 (222.0528)

Fraxinol is isolated from Lobelia chinensis[1]. Fraxinol is isolated from Lobelia chinensis[1].

S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate

C11H10O3S (222.0351)

S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate is a flavouring agent with hydrolysed vegetable-type aroma and flavour. Flavouring agent with hydrolysed vegetable-type aroma and flavour

4-Fluoro-2-(trifluoromethyl)phenylacetic acid

C9H6F4O2 (222.0304)

2-Hydroxy-5-(trifluoromethoxy)benzoic Acid

C8H5F3O4 (222.014)

D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates

2-Thenoyltrifluoroacetone

C8H5F3O2S (221.9962)

D064449 - Sequestering Agents > D002614 - Chelating Agents

2,3-Dichlorobiphenyl

C12H8Cl2 (222.0003)

3,3'-Dichlorobiphenyl

C12H8Cl2 (222.0003)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

6-Amino-1-naphthalenesulfonamide

C10H10N2O2S (222.0463)

2-Cyano-2-(3,4-dihydroxy-benzyl)-thioacetamide

C10H10N2O2S (222.0463)

Cyclonite

C3H6N6O6 (222.0349)

N-Chlorothylnitrosourea sarcosinamide

C6H11ClN4O3 (222.052)

D000970 - Antineoplastic Agents

Sarcnu

C6H11ClN4O3 (222.052)

Acetyl 2-acetyloxybenzoate

C11H10O5 (222.0528)

N-(Tetrahydro-2-oxo-3-thienyl)-3-pyridinecarboxamide

C10H10N2O2S (222.0463)

4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione

C10H10N2O2S (222.0463)

p-Coumaroyl glycolic acid

C11H10O5 (222.0528)

P-coumaroyl glycolic acid is a member of the class of compounds known as coumaric acid esters. Coumaric acid esters are aromatic compounds containing an ester derivative of coumaric acid. P-coumaroyl glycolic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). P-coumaroyl glycolic acid can be found in lentils, which makes P-coumaroyl glycolic acid a potential biomarker for the consumption of this food product.

Fraxinol

C11H10O5 (222.0528)

Fraxinol is a member of the class of compounds known as hydroxycoumarins. Hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. Fraxinol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Fraxinol can be found in sour cherry, which makes fraxinol a potential biomarker for the consumption of this food product. Fraxinol is a natural product found in Elsholtzia bodinieri, Prunus prostrata, and other organisms with data available. Fraxinol is isolated from Lobelia chinensis[1]. Fraxinol is isolated from Lobelia chinensis[1].

Reticulol

C11H10O5 (222.0528)

3-chloro-5-hydroxy-2-methylnaphthalene-1,4-dione

C11H7ClO3 (222.0084)

Ochratoxin beta, (+/-)-

C11H10O5 (222.0528)

Umckalin

C11H10O5 (222.0528)

Umckalin is a natural product found in Allamanda blanchetii, Diatenopteryx sorbifolia, and other organisms with data available.

7,8-Dimethoxy-6-hydroxycoumarin

C11H10O5 (222.0528)

Caulibugulone C

C10H7ClN2O2 (222.0196)

Cytogenin

C11H10O5 (222.0528)

Saikochromone A

C11H10O5 (222.0528)

Mompain

C10H6O6 (222.0164)

Batzelline D

C10H7ClN2O2 (222.0196)

Protogen B

C8H14O3S2 (222.0384)

Cyanomethyl methyl(phenyl)carbamodithioate

C10H10N2S2 (222.0285)

18015-04-8

C9H6N2O3S (222.0099)

4-(4-chlorophenyl)pyrimidine-2-thiol

C10H7ClN2S (222.0018)

Ethyl 5-cyano-6-mercapto-2-methylnicotinate

C10H10N2O2S (222.0463)

6-Amino-4-(methylthio)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile

C8H6N4S2 (222.0034)

3,3-Bis(methylthio)-2-(2-pyridyl)acrylonitrile

C10H10N2S2 (222.0285)

6-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C6H2ClF3N4 (221.992)

6,8-dihydroxy-4-(1-hydroxyethyl)isochromen-1-one

C11H10O5 (222.0528)

6-formyl-5-hydroxy-7-methoxy-4-methylphthalide

C11H10O5 (222.0528)

Convolvulanic acid B

C11H10O5 (222.0528)

Pericosine A

C8H11ClO5 (222.0295)

3,4-dihydro-8-hydroxy-3-methyl-1 h -2-benzopyran-1-one-5-carboxylic acid

C11H10O5 (222.0528)

Lachnone B

C11H10O5 (222.0528)

4-Methyl-1-naphthalenesulfonic acid

C11H10O3S (222.0351)

Rudicoumarin A

C11H10O5 (222.0528)

Graphisquinone

C11H10O5 (222.0528)

(+-)-2c-Chlor-1-hydroxy-cyclohexan-dicarbonsaeure-(1r.2t)|(+-)-2c-chloro-1-hydroxy-cyclohexane-dicarboxylic acid-(1r.2t)

C8H11ClO5 (222.0295)

Benzaldehyde, 2,4-bis(acetyloxy)-

C11H10O5 (222.0528)

Gladiolic acid

C11H10O5 (222.0528)

Pisonin A

C11H10O5 (222.0528)

A member of the class of chromones that is chromone substituted by a hydroxy group at position 5 and methoxy groups at positions 6 and 7 respectively. It has been isolated from Pisonia aculeata.

(E)-3-methoxy-2-[3,4-(methylenedioxy)phenyl]propenoic acid

C11H10O5 (222.0528)

beta-Lipoic acid

C8H14O3S2 (222.0384)

Rosellinic acid

C11H10O5 (222.0528)

4-hydroxymethyl-5-(5-hydroxymethylfuran-2-ylmethylene)-5H-furan-2-one|ellipsoidone A

C11H10O5 (222.0528)

3,4-Diacetoxybenzaldehyde

C11H10O5 (222.0528)

Arteminin

C11H10O5 (222.0528)

Arteminin is a natural product found in Artemisia apiacea and Artemisia carvifolia with data available.

CHEMBL1684146

C11H10O5 (222.0528)

2,3-Diformyl-6-methoxy-5-methylbenzoic acid, 9CI

C11H10O5 (222.0528)

[3-(chloromethylidene)-1-benzoxepin-7-yl]methanol

C12H11ClO2 (222.0448)

6-hydroxy-7,8-dimethoxycoumarin

C11H10O5 (222.0528)

6-formyl-7-hydroxy-5-methoxy-4-methylphthalide

C11H10O5 (222.0528)

Sescandelin B

C11H10O5 (222.0528)

SCHEMBL9727004

C11H10O5 (222.0528)

Ethyl 2-bromohexanoate

C8H15BrO2 (222.0255)

Oospoglycol

C11H10O5 (222.0528)

2,5,6,8-tetrahydroxy-1,4-naphthoquinone

C10H6O6 (222.0164)

PESTALASIN E

C11H10O5 (222.0528)

SCHEMBL16431771

C11H10O5 (222.0528)

Pisonin B

C11H10O5 (222.0528)

A member of the class of chromones that is chromone substituted by hydroxy groups at positions 5 and 7, a methoxy groups at position 6 and a methyl group at position 2. Isolated from Pisonia aculeata, it exhibits antitubercular activity.

6-hydroxy-3-hydroxymethyl-8-methoxyisocoumarin

C11H10O5 (222.0528)

Halenichlomone C

C11H10O5 (222.0528)

methyl (3R)-3,4-dihydro-8-hydroxyisocoumarin-3-carboxylate|tenuissimasatin

C11H10O5 (222.0528)

pulicatin G

C10H10N2O2S (222.0463)

A natural product found in Streptomyces speciesCP32.

6,8-dihydroxyisocoumarin-3-carboxylic acid

C10H6O6 (222.0164)

polyporapyranone H

C11H10O5 (222.0528)

MCULE-2063396728

C11H10O5 (222.0528)

Microsphaerophthalide B

C11H10O5 (222.0528)

Polyporapyranone D

C11H7ClO3 (222.0084)

Acremonone G

C11H10O5 (222.0528)

6,7,9-Trihydroxy-3-methylcyclohepta[c]pyran-8(1H)-one

C11H10O5 (222.0528)

CHEMBL443869

C10H6O6 (222.0164)

Cribrarione C

C10H6O6 (222.0164)

2,3,5,8-tetrahydroxy-1,4-naphthoquinone|2,3,5,8-Tetrahydroxy-[1,4]naphthochinon|2,3,5,8-tetrahydroxy-[1,4]naphthoquinone|2,3-Dihydroxy-naphthazarin|2,3-dihydroxynaphthazarin|spinazarin|spinazarine

C10H6O6 (222.0164)

7-hydroxy-6,8-dimethoxychromen-4-one

C11H10O5 (222.0528)

(Z)-2-<(4-hydroxyphenyl)methyl>but-2-enedioic acid

C11H10O5 (222.0528)

1,4-NAPHTHALENEDIONE,2,3,5,7-TETRAHYDROXY-

C10H6O6 (222.0164)

2-Quinoxalinecarboxylic acid, 6-chloro-, methyl ester

C10H7ClN2O2 (222.0196)

SCHEMBL20656248

C8H14O3S2 (222.0384)

5-hydroxy-7,8-dimethoxycoumarin

C11H10O5 (222.0528)

Tomentin

C11H10O5 (222.0528)

5-Hydroxy-6,7-dimethoxychromen-2-one is a natural product found in Artemisia capillaris, Artemisia annua, and Artemisia monosperma with data available.

Isofraxidin

C11H10O5 (222.0528)

Annotation level-1 Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].

7-hydroxy-6,8-dimethoxychromen-2-one

C11H10O5 (222.0528)

8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid

C11H10O5 (222.0528)

6,8-dihydroxy-7-methoxy-3-methylisochromen-1-one

C11H10O5 (222.0528)

8-hydroxy-6,7-dimethoxychromen-2-one

C11H10O5 (222.0528)

Fraxidin

C11H10O5 (222.0528)

Fraxidin is a hydroxycoumarin. Fraxidin is a natural product found in Artemisia minor, Melilotus messanensis, and other organisms with data available. Fraxidin, also known as 8-hydroxy-6,7-dimethoxy-2h-1-benzopyran-2-one, is a member of the class of compounds known as hydroxycoumarins. Hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton. Fraxidin is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Fraxidin can be found in durian and watermelon, which makes fraxidin a potential biomarker for the consumption of these food products. Fraxidin is a class of coumarin isolated from the roots of Jatropha podagrica, exhibits antibacterial activity against Bacillus subtilis with an inhibition zone of 12 mm at a concentration of 20 μg/disk[1][2]. Fraxidin is a class of coumarin isolated from the roots of Jatropha podagrica, exhibits antibacterial activity against Bacillus subtilis with an inhibition zone of 12 mm at a concentration of 20 μg/disk[1][2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].

MMV069458

C6H2N4ClF3 (221.992)

acetazolamide

C4H6N4O3S2 (221.9881)

S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01EC - Carbonic anhydrase inhibitors D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C471 - Enzyme Inhibitor > C29577 - Carbonic Anhydrase Inhibitor D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic D045283 - Natriuretic Agents > D004232 - Diuretics CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2118; ORIGINAL_PRECURSOR_SCAN_NO 2116 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2116; ORIGINAL_PRECURSOR_SCAN_NO 2114 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2122; ORIGINAL_PRECURSOR_SCAN_NO 2121 INTERNAL_ID 366; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2122; ORIGINAL_PRECURSOR_SCAN_NO 2121 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2106; ORIGINAL_PRECURSOR_SCAN_NO 2104 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2172; ORIGINAL_PRECURSOR_SCAN_NO 2170 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2116; ORIGINAL_PRECURSOR_SCAN_NO 2112 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4436; ORIGINAL_PRECURSOR_SCAN_NO 4434 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4453; ORIGINAL_PRECURSOR_SCAN_NO 4450 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4473; ORIGINAL_PRECURSOR_SCAN_NO 4469 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4469; ORIGINAL_PRECURSOR_SCAN_NO 4466 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4488; ORIGINAL_PRECURSOR_SCAN_NO 4483 CONFIDENCE standard compound; INTERNAL_ID 366; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4487; ORIGINAL_PRECURSOR_SCAN_NO 4484

2,5-Dimethyl-3-thiofuroylfuran

C11H10O3S (222.0351)

Sulfamide, 2-naphthalenyl- (9CI)

C10H10N2O2S (222.0463)

3-(2-chlorophenyl)-1,1,1-trifluoropropan-2-one

C9H6ClF3O (222.0059)

1-(2-chloro-6-methylphenyl)-2,2,2-trifluoroethanone

C9H6ClF3O (222.0059)

METHYL 2-HYDROXY-4-(TRIFLUOROMETHYL)PYRIMIDINE-5-CARBOXYLATE

C7H5F3N2O3 (222.0252)

Butanoic acid,2-bromo-, butyl ester

C8H15BrO2 (222.0255)

3-Nitro-4-(trifluoromethoxy)aniline

C7H5F3N2O3 (222.0252)

butyl 4-bromobutyrate

C8H15BrO2 (222.0255)

methyl 2-fluoro-6-(trifluoromethyl)benzoate

C9H6F4O2 (222.0304)

Diethyl 2-chloro-3-oxosuccinate

C8H11ClO5 (222.0295)

5-PHENYL-2-THIOPHENECARBONYL CHLORIDE

C11H7ClOS (221.9906)

Zirconium Boride

B12Zr (222.0164)

Cyclonite

C3H6N6O6 (222.0349)

D010575 - Pesticides > D012378 - Rodenticides D053834 - Explosive Agents D016573 - Agrochemicals

5-(2-chlorophenyl)-2-furoic

C11H7ClO3 (222.0084)

(4-CHLOROMETHYL-THIAZOL-2-YL)-PHENYL-AMINE

C12H11ClO2 (222.0448)

Ethyl 5-thien-2-yl-1H-pyrazole-3-carboxylate

C10H10N2O2S (222.0463)

1h-benzimidazole-5-carboxylic acid, 2,3-dihydro-2-thioxo-, ethyl ester

C10H10N2O2S (222.0463)

5-(3-chlorophenyl)cyclohexane-1,3-dione

C12H11ClO2 (222.0448)

5-(3-Chlorophenyl)-1H-pyrazole-3-carboxylic acid

C10H7ClN2O2 (222.0196)

3-NITROPHENACYL THIOCYANATE

C9H6N2O3S (222.0099)

5-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid

C10H7ClN2O2 (222.0196)

2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl chloride

C10H7ClN2O2 (222.0196)

Butanoic acid,2-bromo-3,3-dimethyl-, ethyl ester

C8H15BrO2 (222.0255)

3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid

C10H10N2O2S (222.0463)

8-Chloro-4-hydroxy-2-naphthoic acid

C11H7ClO3 (222.0084)

1-(2-Chloro-4-(trifluoromethyl)phenyl)ethanone

C9H6ClF3O (222.0059)

ETHYL 3,4-METHYLENEDIOXYBENZOYLFORMATE

C11H10O5 (222.0528)

Ethyl 2,3,4,5-tetrafluorobenzoate

C9H6F4O2 (222.0304)

2-Fluoro-4-(trifluoromethyl)phenylacetic acid

C9H6F4O2 (222.0304)

ethyl 5-methyl-2-(trifluoromethyl)furan-3-carboxylate

C9H9F3O3 (222.0504)

2-Chloro-4-(1h-pyrazol-1-yl)benzenecarboxylic acid

C10H7ClN2O2 (222.0196)

2-METHYL-5-[1,2,4]TRIAZOL-4-YL-PHENYLAMINE

C10H7ClN2O2 (222.0196)

4-(Methylsulfonyl)phenylhydrazine hydrochloride

C7H11ClN2O2S (222.023)

5-(4-CHLOROPHENYL)-1,3-CYCLOHEXANEDIONE

C12H11ClO2 (222.0448)

Phosphonic acid,P-(1-naphthalenylmethyl)-

C11H11O3P (222.0446)

5-Chloro-4-hydroxy-2-naphthoic acid

C11H7ClO3 (222.0084)

7-Chloro-4-hydroxy-2-naphthoic acid

C11H7ClO3 (222.0084)

2-Nitro-4-(trifluoromethoxy)aniline

C7H5F3N2O3 (222.0252)

4-(trifluoromethylthio)benzoic acid

C8H5F3O2S (221.9962)

2-Chloro-5-(trifluoromethyl)acetophenone

C9H6ClF3O (222.0059)

4-Chloro-3-(trifluoromethyl)acetophenone

C9H6ClF3O (222.0059)

4-chloro-6-methyl-2-oxochromene-3-carbaldehyde

C11H7ClO3 (222.0084)

4-(3-Methoxy-phenyl)-2,4-dioxo-butyric acid

C11H10O5 (222.0528)

scandium acetate

C6H9O6Sc (221.9958)

1-chloro-6-Methyl-5-nitroisoquinoline

C10H7ClN2O2 (222.0196)

2-Fluoro-5-(trifluoromethyl)phenylacetic acid

C9H6F4O2 (222.0304)

4-FLUORO-3-(TRIFLUOROMETHOXY)ACETOPHENONE

C9H6F4O2 (222.0304)

(1-METHOXY-3-METHYL-BUT-3-ENYL)-BENZENE

C10H10N2O2S (222.0463)

2-CHLORO-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-3-CARBALDEHYDE

C10H7ClN2O2 (222.0196)

Rhodanine, 5-(2-pyridylmethylene)-

C9H6N2OS2 (221.9922)

2-Chloro-6-(trifluoromethyl)-9H-purine

C6H2ClF3N4 (221.992)

TDZD-8

C10H10N2O2S (222.0463)

2-FLUORO-5-(THIOPHEN-3-YL)BENZOIC ACID

C11H7FO2S (222.0151)

2,2,2-Trifluoro-1-(3-fluoro-5-methoxyphenyl)ethanone

C9H6F4O2 (222.0304)

2,6-Dimethyl-4-(trifluoromethylthio)phenol

C9H9F3OS (222.0326)

1-[2-(METHYLTHIO)-5-(TRIFLUOROMETHYL)PHENYL!HYDRAZINE, TECH

C8H9F3N2S (222.0439)

Ethyl 3-aminothieno[2,3-b]pyridine-2-carboxylate

C10H10N2O2S (222.0463)

Ethyl 3-aminothieno[2,3-c]pyridine-2-carboxylate

C10H10N2O2S (222.0463)

Ethyl 3-cyano-2-mercapto-6-methylisonicotinate

C10H10N2O2S (222.0463)

Sodium 2-phenyl-2-propanesulfonate

C9H11NaO3S (222.0327)

1,2-Benzisoxazole-3-carboxylicacid, 6-nitro-, methyl ester

C9H6N2O5 (222.0277)

(S)-2-Pyridylthiocysteamine hydrochloride

C7H11ClN2S2 (222.0052)

3-(4-CHLOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID

C10H7ClN2O2 (222.0196)

4-Chloro-6-methoxy-2-(methylsulfonyl)pyrimidine

C6H7ClN2O3S (221.9866)

3-(Benzothiazol-2-ylamino)-propionic acid

C10H10N2O2S (222.0463)

5-PROPIONYL-2,2-BITHIENYL

C11H10OS2 (222.0173)

Methyl 2-fluoro-5-(trifluoromethyl)benzoate

C9H6F4O2 (222.0304)

6-(Chloromethyl)-2-(2-pyrazinyl)-4(3H)-pyrimidinone

C9H7ClN4O (222.0308)

4-Methyl-1-(phenylsulfonyl)-1H-imidazole

C10H10N2O2S (222.0463)

2-Bromooctanoic acid

C8H15BrO2 (222.0255)

tert-butyl 3-bromo-2-oxopropanoate

C7H11BrO3 (221.9892)

1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanone

C9H6ClF3O (222.0059)

O-2-Naphthyl chlorothioformate

C11H7ClOS (221.9906)

4-(5-mercapto-1h-tetrazol-1-yl)benzoic acid

C8H6N4O2S (222.0211)

ETHYL 2,2,3,3,3-PENTAFLUOROPROPYL CARBONATE

C6H7F5O3 (222.0315)

5-(4-chlorophenyl)-2-furoic acid

C11H7ClO3 (222.0084)

5-(4-chlorophenyl)-1H-pyrimidine-2-thione

C10H7ClN2S (222.0018)

ethyl 5-formyl-1,3-benzodioxole-4-carboxylate

C11H10O5 (222.0528)

2-(4-METHOXY-PHENYLAMINO)-THIAZOL-4-ONE

C10H10N2O2S (222.0463)

6-chloro-2-(trifluoromethyl)-5H-purine

C6H2ClF3N4 (221.992)

1-ETHYL-3,5-DIMETHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE

C7H11ClN2O2S (222.023)

6-Chloro-4-nitro-1H-indazole-3-carbonitrile

C8H3ClN4O2 (221.9945)

2-(4-bromobutyl)-2-methyl-1,3-dioxolane

C8H15BrO2 (222.0255)

Trimethylsilyl trifluoromethanesulfonate

C4H9F3O3SSi (221.9994)

4-Nitro-2-(trifluoromethoxy)aniline

C7H5F3N2O3 (222.0252)

2,4,6-trimethylphenylmagnesium bromide

C9H11BrMg (221.9895)

2,4-DIMETHYL-4-(TRIFLUOROMETHYLTHIO)PHENOL

C9H9F3OS (222.0326)

2,3-dichlorobiphenyl

C12H8Cl2 (222.0003)

3,4-Dichlorobiphenyl

C12H8Cl2 (222.0003)

Octanoic acid, 2-bromo-

C8H15BrO2 (222.0255)

4-(Trifluoromethyl)quinoline-2-carbonitrile

C11H5F3N2 (222.0405)

PCB 7

C12H8Cl2 (222.0003)

2-(Pyridyldithio)ethylamine (hydrochloride)

C7H11ClN2S2 (222.0052)

2,2-DICHLOROBIPHENYL

C12H8Cl2 (222.0003)

2-(1,1,2,3,3,3-hexafluoropropyl)oxolane

C7H8F6O (222.0479)

methyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate

C9H12Cl2O2 (222.0214)

3-THIEN-3-YLBENZOYL CHLORIDE

C11H7ClOS (221.9906)

2-thiophen-2-ylbenzoyl chloride

C11H7ClOS (221.9906)

ETHYL 2-(4,5-DICHLORO-1H-IMIDAZOL-1-YL)ACETATE

C7H8Cl2N2O2 (221.9963)

4-(2-THIENYL)BENZOYL CHLORIDE

C11H7ClOS (221.9906)

[3-hydroxy-5-(trifluoromethoxy)phenyl]boronic acid

C7H6BF3O4 (222.0311)

6-methoxy-3-nitro-2-(trifluoromethyl)pyridine

C7H5F3N2O3 (222.0252)

ETHYL 2-(2-AMINO-1,3-THIAZOL-4-YL)ACETATE HYDROCHLORIDE

C7H11ClN2O2S (222.023)

8-Bromooctanoic acid

C8H15BrO2 (222.0255)

6-chloro-3-formyl-7-methylchromone

C11H7ClO3 (222.0084)

neo-clear(r) xylene substitute

C8H15BrO2 (222.0255)

5-(3-chloro-phenyl)-furan-2-carboxylic acid

C11H7ClO3 (222.0084)

2-Hydroxy-3-(trifluoromethoxy)benzoic acid

C8H5F3O4 (222.014)

Methyl 2-chloro-1,7-naphthyridine-3-carboxylate

C10H7ClN2O2 (222.0196)

4-Amino-2-chloro-5-hydroxybenzensulfonamide

C6H7ClN2O3S (221.9866)

4-Methoxy-2-(trifluoromethoxy)benzyl alcohol

C9H9F3O3 (222.0504)

Methyl 5-nitro-1,3-benzoxazole-2-carboxylate

C9H6N2O5 (222.0277)

Ethyl 6-bromohexanoate

C8H15BrO2 (222.0255)

Methyl(2-(3-cyclohexenyl)ethyl)dichlorosilane

C9H16Cl2Si (222.0398)

2-Naphthalenesulfonamide,6-amino-

C10H10N2O2S (222.0463)

2-chloroethyl 4-fluorophenyl sulfone

C8H8ClFO2S (221.9918)

ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate,hydrochloride

C7H11ClN2O2S (222.023)

4-(DIFLUOROCHLOROMETHOXY)BENZOIC ACID

C8H5ClF2O3 (221.9895)

N-(4-AMINOPHENYL)METHANESULFONAMIDEHYDROCHLORIDE

C7H11ClN2O2S (222.023)

5-(3-nitrophenyl)-1,3,4-thiadiazol-2-amine

C8H6N4O2S (222.0211)

2-Naphthalenesulfonicacid, hydrazide

C10H10N2O2S (222.0463)

5-(2-CHLOROPHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID

C10H7ClN2O2 (222.0196)

Methyl 2-chloro-7-quinazolinecarboxylate

C10H7ClN2O2 (222.0196)

4-(4-Methoxy-phenyl)-2,4-dioxo-butyric acid

C11H10O5 (222.0528)

2-methoxy-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

C7H5F3N2O3 (222.0252)

4-Methyl-3-(trifluoromethyl)benzoyl chloride

C9H6ClF3O (222.0059)

7-Chloro-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

C10H4ClFN2O (221.9996)

Ethyl 2-amino-benzothiazole-6-carboxylate

C10H10N2O2S (222.0463)

2-Fluorophenylsulphur pentafluoride

C6H4F6S (221.9938)

1H-Pyrazole,1-[(4-methylphenyl)sulfonyl]-

C10H10N2O2S (222.0463)

5-(4-Fluorophenyl)-2-thiophenecarboxylic acid

C11H7FO2S (222.0151)

7-chloro-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrimidine

C6H2ClF3N4 (221.992)

5-(2,2,2-Trifluoroacetamido)-1H-pyrazole-4-carboxamide

C6H5F3N4O2 (222.0365)

[3-Fluoro-4-(trifluoromethyl)phenyl]acetic acid

C9H6F4O2 (222.0304)

METHYL(5-MERCAPTO-1H-BENZIMIDAZOL-2-YL)CARBAMATE

C9H8N3O2S- (222.0337)

[2-(4-CHLOROPHENOXY)ETHYL]HYDRAZINE

C8H12Cl2N2O (222.0327)

3-aMino-6-chloro-2-hydroxybenzenesulfonaMide

C6H7ClN2O3S (221.9866)

Ethyl 3-bromo-4-oxopentanoate

C7H11BrO3 (221.9892)

3-CHLORO-5-(TRIFLUOROMETHYL)ACETOPHENONE

C9H6ClF3O (222.0059)

3-(TRIFLUOROMETHYL)PHENYLACETYL CHLORIDE

C9H6ClF3O (222.0059)

3-(5-THIOPHEN-2-YL-FURAN-2-YL)-PROPIONIC ACID

C11H10O3S (222.0351)

3-Fluoro-2-(trifluoromethyl)ph

C9H6F4O2 (222.0304)

Methyl 4-chloroquinazoline-7-carboxylate

C10H7ClN2O2 (222.0196)

5-(4-METHOXYBENZYL)-1,3,4-OXADIAZOLE-2-THIOL

C10H10N2O2S (222.0463)

METHYL 4-(METHYLTHIO)-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLATE

C10H10N2O2S (222.0463)

4-Chloro-7-fluoro-6-hydroxy-3-quinolinecarbonitrile

C10H4ClFN2O (221.9996)

4-Fluorophenylsulphur pentafluoride

C6H4F6S (221.9938)

6,7-Dihydroxy-2-oxo-2H-chromene-3-carboxylic acid

C10H6O6 (222.0164)

2-TRIFLUOROMETHYLQUINOLINE-6-CARBONITRILE

C11H5F3N2 (222.0405)

3-(5-Methyl-1,2,4-oxadiazol-3-yl)benzoyl chloride

C10H7ClN2O2 (222.0196)

2-(3-TRIFLUOROBENZYLIDENE)-MALONONITRILE

C11H5F3N2 (222.0405)

6-broMo-1-hexanol acetate

C8H15BrO2 (222.0255)

Calcium phthalate hydrate (1:1:1)

C8H6CaO5 (221.9841)

tert-butyl 2-bromobutanoate

C8H15BrO2 (222.0255)

METHYL 4-(METHYLTHIO)-1H-PYRROLO[2,3-B]PYRIDINE-2-CARBOXYLATE

C10H10N2O2S (222.0463)

D-Erythrose 4-phosphate sodium

C4H8NaO7P (221.9905)

2-Fluoro-7,7,8,8-tetracyanoquinodimethane

C12H3FN4 (222.0342)

6-CHLORO-2-(TRIFLUOROMETHYL)- [1,2,4]TRIAZOLO[1,5-B]PYRIDAZINE

C6H2ClF3N4 (221.992)

3-(Trifluoromethylthio)benzoic acid

C8H5F3O2S (221.9962)

1,3-DIHYDRO-IMIDAZOL-2-ONE-5-(3-FLUORO) PHENYL-4-CARBOXYLIC ACID

C10H7FN2O3 (222.0441)

4-(4-methylsulfanylphenyl)-1,3-thiazol-2-amine

C10H10N2S2 (222.0285)

4-(chloromethyl)-7,8-dimethylchromen-2-one

C12H11ClO2 (222.0448)

3-(2-HYDROXYETHYL)-2-MERCAPTOQUINAZOLIN-4(3H)-ONE

C10H10N2O2S (222.0463)

2-CHLORO-3-METHYL-6-(PYRIMIDIN-4-YL)PYRIMIDIN-4(3H)-ONE

C9H7ClN4O (222.0308)

((1E,3E)-5-BROMO-PENTA-1,3-DIENYL)-BENZENE

C11H11Br (222.0044)

5,6-dimethoxy-1-benzofuran-2-carboxylic acid

C11H10O5 (222.0528)

6,7-DIHYDRO-2H,5H,5H-SPIRO[1-BENZOTHIOPHENE-4,4-IMIDAZOLIDINE]-2,5-DIONE

C10H10N2O2S (222.0463)

1-(4-CHLORO-3-NITROPHENYL)-1H-PYRROLE

C10H7ClN2O2 (222.0196)

1-Methoxymethoxy-2-(trifluoromethoxy)benzene

C9H9F3O3 (222.0504)

4-ACETYLBENZENESULFONIC ACID SODIUM SALT

C8H7NaO4S (221.9963)

2-BROMOISOBUTYRIC ACID N-BUTYL ESTER

C8H15BrO2 (222.0255)

5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidine-4-thione

C10H10N2S2 (222.0285)

5-Chloro-N-cyclopropyl-3-fluoropyridin-2-amine hydrochloride

C8H9Cl2FN2 (222.0127)

6-chloro-8-(trifluoromethyl)-9H-purine

C6H2ClF3N4 (221.992)

1,1,1,3,3,3-Hexafluoroisopropyl acrylate

C6H4F6O2 (222.0115)

2-CHLORO-1-(ETHYLSULFONYL)-4-FLUOROBENZENE

C8H8ClFO2S (221.9918)

4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl chloride

C10H7ClN2O2 (222.0196)

1,3,4-Thiadiazol-2-amine,5-(4-nitrophenyl)-

C8H6N4O2S (222.0211)

Ethyl 4-bromo-3-oxopentanoate

C7H11BrO3 (221.9892)

(S)-2-(3-BROMOPROPYL)-1,1-DIMETHYLCYCLOPROPANE

C8H15BrO2 (222.0255)

Sodium cumenesulphonate

C9H11NaO3S (222.0327)

4-CHLOROQUINAZOLIN-6-YL ACETATE

C10H7ClN2O2 (222.0196)

(4-chlorophenyl)-thiophen-2-ylmethanone

C11H7ClOS (221.9906)

5-Bromopentanoic acid, isopropyl ester

C8H15BrO2 (222.0255)

2-fluoro-6-(trifluoromethyl)phenylacetic acid

C9H6F4O2 (222.0304)

7-Benzothiazolecarboxylicacid,2-amino-,ethylester(9CI)

C10H10N2O2S (222.0463)

7-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

C11H10O3S (222.0351)

O-[4-nitro-2-(trifluoromethyl)phenyl]hydroxylamine

C7H5F3N2O3 (222.0252)

tert-Butyl 4-bromobutanoate

C8H15BrO2 (222.0255)

2-bromo-8,9-dihydro-7H-benzo[7]annulene

C11H11Br (222.0044)

5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-2-amine dihydrochloride

C7H12Cl2N4 (222.0439)

2-METHOXY-5-(TRIFLUOROMETHOXY)BENZYL ALCOHOL

C9H9F3O3 (222.0504)

methyl 4-chloroquinazoline-8-carboxylate

C10H7ClN2O2 (222.0196)

2,4-Diaminophenol sulfate (1:1)

C6H10N2O5S (222.031)

t-Butyl 2-bromo isobutyrate

C8H15BrO2 (222.0255)

Mafenide hydrochloride

C7H11ClN2O2S (222.023)

(R)-4-(3-Amino-butyl)-phenol

C8H15BrO2 (222.0255)

3-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

C10H7ClN2O2 (222.0196)

5-Nitro-2-(trifluoromethoxy)aniline

C7H5F3N2O3 (222.0252)

3-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde

C9H6F4O2 (222.0304)

2,2,3,3,3-PENTAFLUOROPROPYL 2-FLUOROACRYLATE

C6H4F6O2 (222.0115)

1-(3-Chlorophenyl)-1H-pyrazol-4-ylboronic acid

C9H8BClN2O2 (222.0367)

1-(2-Chlorophenyl)-1H-pyrazol-4-ylboronic acid

C9H8BClN2O2 (222.0367)

4-Hydroxy-1H-pyrrolo[2,3-b]pyridine-2,3-dicarboxylic acid

C9H6N2O5 (222.0277)

4,5-DIFLUORO-2-(TRIFLUOROMETHYL)BENZIMIDAZOLE

C8H3F5N2 (222.0216)

2-(4-TRIFLUOROBENZYLIDENE)-MALONONITRILE

C11H5F3N2 (222.0405)

5-(4-CHLOROPHENYL)-3-HYDROXYMETHYL-2-METHYLFURAN

C12H11ClO2 (222.0448)

ethyl 2-aminothieno[3,2-b]pyridine-3-carboxylate

C10H10N2O2S (222.0463)

4-N-PROPYLPHENYLMAGNESIUM BROMIDE

C9H11BrMg (221.9895)

MCPA

C9H8ClNaO3 (222.006)

4-Fluoro-3-(trifluoromethyl)phenylacetic acid

C9H6F4O2 (222.0304)

4-(1,1,2,2-tetrafluoroethoxy)benzaldehyde

C9H6F4O2 (222.0304)

Sodium mesitylenesulfonate

C9H11NaO3S (222.0327)

2,3-Dichlorobiphenyl

C12H8Cl2 (222.0003)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

5-(2-Chlorophenyl)cyclohexane-1,3-dione

C12H11ClO2 (222.0448)

4-(5-nitrothiophen-2-yl)pyrimidin-2-amine

C8H6N4O2S (222.0211)

4-(3-METHYL-1,2,4-OXADIAZOL-5-YL)BENZOYL CHLORIDE 97+

C10H7ClN2O2 (222.0196)

3-chloro-6-(2-fluoro-4-methylphenyl)pyridazine

C11H8ClFN2 (222.036)

4-(5-Chlorothiophen-2-yl)benzaldehyde

C11H7ClOS (221.9906)

2-(1,1,2,2-tetrafluoroethoxy)benzaldehyde

C9H6F4O2 (222.0304)

[1]Benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione,5,6,7,8-tetrahydro-

C10H10N2O2S (222.0463)

1-(P-Toluenesulfonyl)imidazole

C10H10N2O2S (222.0463)

2-(DIFLUOROMETHOXY)-4-CHLOROBENZOIC

C8H5ClF2O3 (221.9895)

4-(2-Methoxy-phenyl)-2,4-dioxo-butyric acid

C11H10O5 (222.0528)

methyl 2-chloroquinazoline-8-carboxylate

C10H7ClN2O2 (222.0196)

3,4-dichlorobiphenyl

C12H8Cl2 (222.0003)

6-METHOXY-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

C11H10O3S (222.0351)

1-(4-Chlorophenyl)-1H-pyrazole-3-carboxylic acid

C10H7ClN2O2 (222.0196)

5-CHLORO-2-(TRIFLUOROMETHYL)-[1,2,4]TRIAZOLO[1,5-F]PYRIMIDINE

C6H2ClF3N4 (221.992)

Methyl 4-chloroquinazoline-6-carboxylate

C10H7ClN2O2 (222.0196)

5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane

C8H15BrO2 (222.0255)

8-chloro-2-methyl-5-nitroquinoline

C10H7ClN2O2 (222.0196)

2-(3-Bromopropoxy)tetrahydro-2H-pyran

C8H15BrO2 (222.0255)

4-chloro-1-hydroxynaphthalene-2-carboxylic acid

C11H7ClO3 (222.0084)

Rac-Lipoic Acid Impurity H

C8H14O3S2 (222.0384)

rac-Lipoic Acid Impurity 1

C8H14O3S2 (222.0384)

5-(2-Chlorophenyl)-3-pyrazolecarboxylic Acid

C10H7ClN2O2 (222.0196)

2-Carboxyethylthiosuccinic acid

C7H10O6S (222.0198)

2-Methanesulfonic acid 5-chloropyrazinylmethylester

C6H7ClN2O3S (221.9866)

Melamine Sulfate

C3H6N6O4S (222.0171)

3-Methyl-5,7-dinitro-1H-indazole

C8H6N4O4 (222.0389)

3-Fluoro-5-(trifluoroMethoxy)acetophenone

C9H6F4O2 (222.0304)

[2-(3-Methoxy-4-nitro-1H-pyrazol-1-yl)ethyl]amine hydrochloride

C6H11ClN4O3 (222.052)

Voriconazole Impurity 8

C11H8ClFN2 (222.036)

1H-Pyrazolo[3,4-d]pyrimidine, 4-chloro-6-(trifluoromethyl)-

C6H2ClF3N4 (221.992)

4-CHLORO-6,7-DIMETHYLENEDIOXYQUINAZOLINE

C10H7ClN2O2 (222.0196)

Radon

Rn (222)

D004785 - Environmental Pollutants > D000393 - Air Pollutants D009676 - Noxae > D002273 - Carcinogens

2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanone

C9H6F4O2 (222.0304)

methyl 4-fluoro-2-(trifluoromethyl)benzoate

C9H6F4O2 (222.0304)

3-METHOXY-4-PROPOXYPHENETHYLAMINE

C10H7ClN2O2 (222.0196)

Methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate

C10H10N2O2S (222.0463)

5-(2-Ethoxyphenyl)-1,3,4-oxadiazole-2-thiol

C10H10N2O2S (222.0463)

pentyl 2-bromopropanoate

C8H15BrO2 (222.0255)

5-(4-Chlorophenyl)-2-thiophenecarbaldehyde

C11H7ClOS (221.9906)

2-methylpropyl 2-bromobutanoate

C8H15BrO2 (222.0255)

4-chlorobenzalhydantoin

C10H7ClN2O2 (222.0196)

n-(2-chloropyridin-3-yl)-1h-imidazole-5-carboxamide

C9H7ClN4O (222.0308)

2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethanone

C9H6F4O2 (222.0304)

Methyl 3-(1,3-benzodioxol-5-yl)-2-oxiranecarboxylate

C11H10O5 (222.0528)

Benzenesulfonic acid,3-chloro-4-hydrazinyl-

C6H7ClN2O3S (221.9866)

Benzoic acid,2,3-diformyl-6-methoxy-5-methyl-

C11H10O5 (222.0528)

Methyl 4-fluoro-3-(trifluoromethyl)benzoate

C9H6F4O2 (222.0304)

3-CHLORO-1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

C10H7ClN2O2 (222.0196)

2-CHLORO-4-(PHENYLTHIO)PYRIMIDINE

C10H7ClN2S (222.0018)

2-Cyanomethyl N-Methyl-N-phenyldithiocarbamate

C10H10N2S2 (222.0285)

3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoyl chloride

C10H7ClN2O2 (222.0196)

METHYL 5-METHOXYBENZO[B]THIOPHENE-2-CARBOXYLATE

C11H10O3S (222.0351)

6-Chloro-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

C6H2ClF3N4 (221.992)

1-(4-Chlorophenyl)-1H-pyrazole-4-carboxylic acid

C10H7ClN2O2 (222.0196)

5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL

C9H6N2O3S (222.0099)

3-(3-Aminobenzyl)-1,3-thiazolidine-2,4-dione

C10H10N2O2S (222.0463)

2-FLUORO-5-(THIOPHEN-2-YL)BENZOIC ACID

C11H7FO2S (222.0151)

METHYL 7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLATE

C10H7FN2O3 (222.0441)

Methyl 7-bromoheptanoate

C8H15BrO2 (222.0255)

2-chloro-1-[3-(trifluoromethyl)phenyl]ethanone

C9H6ClF3O (222.0059)

bis(3-methylthiophen-2-yl)methanone

C11H10OS2 (222.0173)

2-(7,9,9-trioxo-9$l^{6}-thia-8-azabicyclo[4.3.0]nona-1,3,5-trien-8-yl)acetonitrile

C9H6N2O3S (222.0099)

Sodium 2-(3-chlorophenoxy)propanoate

C9H8ClNaO3 (222.006)

Diisopropyl (bromomethyl)boronate

C7H16BBrO2 (222.0427)

4-chloro-2-methyl-6-nitroquinoline

C10H7ClN2O2 (222.0196)

4,6(1H,5H)-Pyrimidinedione,5-(2-furanylmethylene)dihydro-2-thioxo-

C9H6N2O3S (222.0099)

1-(4-chloro-3-methylphenyl)-2,2,2-trifluoroethanone

C9H6ClF3O (222.0059)

5-Fluoro-2-(trifluoromethyl)phenylacetic acid

C9H6F4O2 (222.0304)

2-Fluoro-3-(trifluoromethyl)phenylacetic acid

C9H6F4O2 (222.0304)

3-Fluoro-5-(trifluoromethyl)phenylacetic acid

C9H6F4O2 (222.0304)

[4-(Methylsulfonyl)phenyl]hydrazine hydrochloride

C7H11ClN2O2S (222.023)

3-METHYL-1-PROPYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE

C7H11ClN2O2S (222.023)

1-ISOPROPYL-3-METHYL-1H-PYRAZOLE-4-SULFONYL CHLORIDE

C7H11ClN2O2S (222.023)

Benzo[1,2-d:4,5-d]bisthiazole-2,6-diamine

C8H6N4S2 (222.0034)

(1-BROMOCYCLOPENT-3-EN-1-YL)BENZENE

C11H11Br (222.0044)

(1-BROMOCYCLOPENT-2-EN-1-YL)BENZENE

C11H11Br (222.0044)

1-(3-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

C10H7ClN2O2 (222.0196)

6-CHLORO-3-(TRIFLUOROMETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDINE

C6H2ClF3N4 (221.992)

2-HYDRAZINO-3-NITRO-5-(TRIFLUOROMETHYL)PYRIDINE

C6H5F3N4O2 (222.0365)

Sarmustine

C6H11ClN4O3 (222.052)

C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000970 - Antineoplastic Agents

N-(quinolin-8-yl)methanesulfonamide

C10H10N2O2S (222.0463)

1,4-Naphthalenedione, 2,5,7,8-tetrahydroxy-

C10H6O6 (222.0164)

3,4-Dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid

C11H10O5 (222.0528)

Radon-222

Rn (222)

Radon-220

Rn (222)

1-Methyl-7-nitroisatoic anhydride

C9H6N2O5 (222.0277)

Radon-219

Rn (222)

D004785 - Environmental Pollutants > D000393 - Air Pollutants D009676 - Noxae > D002273 - Carcinogens

methyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate

C10H10N2O2S (222.0463)

(R)-2-bromoisovalerylurea

C6H11BrN2O2 (222.0004)

(2s)-2-Bromo-n-carbamoyl-3-methylbutanamide

C6H11BrN2O2 (222.0004)

8-Hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-5-carboxylic acid

C11H10O5 (222.0528)

7-Oxocyclohepta-1,3,5-triene-1,4-diyl diacetate

C11H10O5 (222.0528)

2,4-Diacetoxytropone

C11H10O5 (222.0528)

Phytodolor

C11H10O5 (222.0528)

Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2]. Isofraxidin, a coumarin component from Acanthopanax senticosus, inhibits MMP-7 expression and cell invasion of human hepatoma cells. Isofraxidin inhibits the phosphorylation of ERK1/2 in hepatoma cells[1]. Isofraxidin attenuates the expression of iNOS and COX-2, Isofraxidinalso inhibits TLR4/myeloid differentiation protein-2 (MD-2) complex formation[2].

Pulicatins G

C10H10N2O2S (222.0463)

3-Benzylmalate

C11H10O5-2 (222.0528)

1,1,1-Trifluoro-4-hydroxy-4-(2-thienyl)-3-buten-2-one

C8H5F3O2S (221.9962)

CID 21145116

C10H8NO5- (222.0402)

2-Benzyl-2-hydroxybutanedioate

C11H10O5-2 (222.0528)

Cycloheptadienyl

C11H10O5-2 (222.0528)

2-Aminonaphthalene-1-sulfonate

C10H8NO3S- (222.0225)

6-Aminonaphthalene-2-sulfonate

C10H8NO3S- (222.0225)

7-hydroxy-6-methoxy-2H-chromene-2,5,8-trione

C10H6O6 (222.0164)

Indol-3-ylmethylcarbamodithiolate

C10H10N2S2 (222.0285)

2-Benzyl-3-oxobutanedioic acid

C11H10O5 (222.0528)

5-Formyl-3-methoxy-4-hydroxybenzeneacrylic acid

C11H10O5 (222.0528)

6-Chloro-2-phenyl-4-sulfanylpyrimidine

C10H7ClN2S (222.0018)

8-Seleno-octanoate

C8H14O2Se- (222.0159)

6-Seleno-octanoate

C8H14O2Se- (222.0159)

2-[(Z)-3-carboxy-3-oxoprop-1-enyl]-5-methyl-6-oxo-1H-pyridin-3-olate

C10H8NO5- (222.0402)

(3R)-4-(2-aminophenyl)-3-hydroxy-2,4-dioxobutanoate

C10H8NO5- (222.0402)

(2S,4R,5R,6S)-2,4,5-trihydroxyoxane-2,6-dicarboxylic acid

C7H10O8 (222.0376)

(2Z,4E)-2-hydroxy-6-oxo-6-sulfohexa-2,4-dienoic acid

C6H6O7S (221.9834)

7,8-Dihydro-7,8-dihydroxykynurenate

C10H8NO5- (222.0402)

Se-butyl pentaneselenoate

C9H18OSe (222.0523)

An organoselenium compound obtained by the formal condensation of butane-1-selenol with pentanoic acid.

(-)-Pericosine Do

C8H11ClO5 (222.0295)

A natural product found in Periconia byssoides.

N-acetylmethionine sulfone(1-)

C7H12NO5S- (222.0436)

(4-Hydroxy-3-nitrophenyl)acetyl azide

C8H6N4O4 (222.0389)

2-Hydroxy-4-hydroxymethylbenzalpyruvate

C11H10O5 (222.0528)

1-(2-Thienyl)-3-hydroxy-4,4,4-trifluoro-2-butene-1-one

C8H5F3O2S (221.9962)

2-Hydroxy-4-hydroxymethylbenzylidenepyruvic acid

C11H10O5 (222.0528)

(E)-3-(6-hydroxy-7-methoxy-1,3-benzodioxol-5-yl)prop-2-enal

C11H10O5 (222.0528)

(E)-3-(7-hydroxy-6-methoxy-1,3-benzodioxol-5-yl)prop-2-enal

C11H10O5 (222.0528)

4,6-Diformyl-2,5-dimethoxytropone

C11H10O5 (222.0528)

2-Acetoxy-2-methyl-5H-cyclohepta-1,3-dioxol-5-one

C11H10O5 (222.0528)

7-Chloro-2,3-dimethyl-2,3-methanochroman-4-one

C12H11ClO2 (222.0448)

Tert-Butylbicyclophosphorothionate

C8H15O3PS (222.0479)

D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants

2-succinylbenzoate

C11H10O5 (222.0528)

(5-Oxo-2-sulfo-2,5-dihydrofuran-2-yl)acetic acid

C6H6O7S (221.9834)

An organosulfonic acid that consists of 5-oxo-2-furylacetic acid bearing a sulfo group at position 2.

(1S,2R)-3-(4-chlorophenyl)cyclohexa-3,5-diene-1,2-diol

C12H11ClO2 (222.0448)

PCB 8

C12H8Cl2 (222.0003)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

2,6-PCB

C12H8Cl2 (222.0003)

D004785 - Environmental Pollutants > D011078 - Polychlorinated Biphenyls

S-(2,5-Dimethyl-3-furanyl) 2-furancarbothioate

C11H10O3S (222.0351)

4-(2-Amino-3-hydroxyphenyl)-2,4-dioxobutanoate

C10H8NO5 (222.0402)

A dioxo monocarboxylic acid anion that is the conjugate base of 4-(2-amino-3-hydroxyphenyl)-2,4-dioxobutanoic acid resulting from the deprotonation of the carboxy group. Major species at pH 7.3.

5,6-dihydroxy-4-(hydroxymethyl)-2-methylcyclohepta[b]furan-7-one

C11H10O5 (222.0528)

6-hydroxy-7,8-dimethoxychromen-2-one

C11H10O5 (222.0528)

[(3z)-3-(chloromethylidene)-2h-1-benzoxepin-7-yl]methanol

C12H11ClO2 (222.0448)

7-hydroxy-3,8-dimethoxychromen-2-one

C11H10O5 (222.0528)

7,8-dihydroxy-6-methoxy-3-methylisochromen-1-one

C11H10O5 (222.0528)

(2z)-2-[(4-hydroxyphenyl)methyl]but-2-enedioic acid

C11H10O5 (222.0528)

methyl (3r,4r,5s,6r)-6-chloro-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate

C8H11ClO5 (222.0295)

7-hydroxy-5-methoxy-6-methyl-1-oxo-3h-2-benzofuran-4-carbaldehyde

C11H10O5 (222.0528)

(5z)-4-(hydroxymethyl)-5-{[5-(hydroxymethyl)furan-2-yl]methylidene}furan-2-one

C11H10O5 (222.0528)

6-hydroxy-3-(hydroxymethyl)-8-methoxyisochromen-1-one

C11H10O5 (222.0528)

4-o-acetyl-caffeic acid

C11H10O5 (222.0528)

{"Ingredient_id": "HBIN010738","Ingredient_name": "4-o-acetyl-caffeic acid","Alias": "NA","Ingredient_formula": "C11H10O5","Ingredient_Smile": "CC(=O)OC1=C(C=C(C=C1)C=CC(=O)O)O","Ingredient_weight": "222.19 g/mol","OB_score": "31.73730167","CAS_id": "NA","SymMap_id": "SMIT12835","TCMID_id": "NA","TCMSP_id": "MOL012019","TCM_ID_id": "NA","PubChem_id": "14818630","DrugBank_id": "NA"}

5,6-dimethoxy-7-hydroxycoumarin

C11H10O5 (222.0528)

{"Ingredient_id": "HBIN011142","Ingredient_name": "5,6-dimethoxy-7-hydroxycoumarin","Alias": "NA","Ingredient_formula": "C11H10O5","Ingredient_Smile": "COC1=C2C=CC(=O)OC2=CC(=C1OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6235","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

7-hydroxy-6,8-dimethoxy coumarin

C11H10O5 (222.0528)

{"Ingredient_id": "HBIN013251","Ingredient_name": "7-hydroxy-6,8-dimethoxy coumarin","Alias": "NA","Ingredient_formula": "C11H10O5","Ingredient_Smile": "COC1=C(C(=C2C(=C1)C(=O)C=CO2)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10016","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

6-hydroxy-3-(hydroxymethyl)-8-methoxychromen-2-one

C11H10O5 (222.0528)

methyl (3r,4r,5r,6s)-6-chloro-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate

C8H11ClO5 (222.0295)

2-[(4-hydroxyphenyl)methyl]but-2-enedioic acid

C11H10O5 (222.0528)

3,5-dihydroxy-6-methoxy-2-methylchromen-4-one

C11H10O5 (222.0528)

2,5-dihydroxy-7-methoxy-3-methylchromen-4-one

C11H10O5 (222.0528)

2,5,7,8-tetrahydroxynaphthalene-1,4-dione

C10H6O6 (222.0164)

methyl 6-chloro-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate

C8H11ClO5 (222.0295)

2,3,5,8-tetrahydroxynaphthalene-1,4-dione

C10H6O6 (222.0164)

methyl (3s,4s,5r,6s)-6-chloro-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate

C8H11ClO5 (222.0295)

4,5,7,8-tetrahydroxynaphthalene-1,2-dione

C10H6O6 (222.0164)

mansouramycin b

C10H7ClN2O2 (222.0196)

6,8-dihydroxy-1-oxoisochromene-3-carboxylic acid

C10H6O6 (222.0164)

[3-(chloromethylidene)-2h-1-benzoxepin-7-yl]methanol

C12H11ClO2 (222.0448)

methyl (3s,4s,5s,6s)-6-chloro-3,4,5-trihydroxycyclohex-1-ene-1-carboxylate

C8H11ClO5 (222.0295)

2,5,6,7-tetrahydroxynaphthalene-1,4-dione

C10H6O6 (222.0164)

2,6-dichloro-3-methoxy-5-methylbenzene-1,4-diol

C8H8Cl2O3 (221.985)

4,5,6,7-tetrahydroxynaphthalene-1,2-dione

C10H6O6 (222.0164)

9-chloro-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-10,11-dione

C10H7ClN2O2 (222.0196)

2,3,5,7-tetrahydroxynaphthalene-1,4-dione

C10H6O6 (222.0164)