Exact Mass: 214.076052
Exact Mass Matches: 214.076052
Found 500 metabolites which its exact mass value is equals to given mass value 214.076052,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Metribuzin
C8H14N4OS (214.08882739999999)
CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7967; ORIGINAL_PRECURSOR_SCAN_NO 7966 CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8016; ORIGINAL_PRECURSOR_SCAN_NO 8014 CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8001; ORIGINAL_PRECURSOR_SCAN_NO 7999 CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8018; ORIGINAL_PRECURSOR_SCAN_NO 8016 CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7922; ORIGINAL_PRECURSOR_SCAN_NO 7921 CONFIDENCE standard compound; INTERNAL_ID 644; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7961; ORIGINAL_PRECURSOR_SCAN_NO 7959 CONFIDENCE standard compound; EAWAG_UCHEM_ID 90 CONFIDENCE standard compound; INTERNAL_ID 8388 CONFIDENCE standard compound; INTERNAL_ID 3130 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
2,4-Dihydroxybenzophenone
CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4541; ORIGINAL_PRECURSOR_SCAN_NO 4540 CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4547 CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529; ORIGINAL_PRECURSOR_SCAN_NO 4528 CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4559 CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581 CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582 ORIGINAL_PRECURSOR_SCAN_NO 4528; CONFIDENCE standard compound; INTERNAL_ID 1342; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529 CONFIDENCE standard compound; INTERNAL_ID 8332
Amifostine
C5H15N2O3PS (214.05409699999998)
Amifostine is only found in individuals that have used or taken this drug. It is a phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia. [PubChem]The thiol metabolite is responsible for most of the cytoprotective and radioprotective properties of amifostine. It is readily taken up by cells where it binds to and detoxifies reactive metabolites of platinum and alkylating agents as well as scavenges free radicals. Other possible effects include inhibition of apoptosis, alteration of gene expression and modification of enzyme activity. V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AF - Detoxifying agents for antineoplastic treatment C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent D020011 - Protective Agents > D011837 - Radiation-Protective Agents KEIO_ID A170 Amifostine (WR2721) is a broad-spectrum cytoprotective agent and a radioprotector. Amifostine selectively protects normal tissues from damage caused by radiation and chemotherapy. Amifostine is potent hypoxia-inducible factor-α1 (HIF-α1) and p53 inducer. Amifostine protects cells from damage by scavenging oxygen-derived free radicals. Amifostine reduces renal toxicity and has antiangiogenic action[1][2][3][4].
Phenyl salicylate
Phenyl salicylate, also known as salol or musol, belongs to the class of organic compounds known as depsides and depsidones. These are polycyclic compounds that is either a polyphenolic compound composed of two or more monocyclic aromatic units linked by an ester bond (depside), or a compound containing the depsidone structure (depsidone). Phenyl salicylate is a mild, sweet, and balsam tasting compound. Phenyl salicylate is a potentially toxic compound. Phenyl salicylate is used as a food additive ("EAFUS: Everything Added to Food in the United States. "). It is hydrolyzed to salicylic acid . It is used for the treatment of inflammation in the lower urinary tract. CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4547 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4559 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4541; ORIGINAL_PRECURSOR_SCAN_NO 4540 CONFIDENCE standard compound; INTERNAL_ID 1138; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529; ORIGINAL_PRECURSOR_SCAN_NO 4528 D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals ATC code: G04BX12
4,4-DIMETHYLANGELICIN
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
4,5-Dimethylangelicin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
3-Phenoxybenzoic acid
3-phenoxybenzoic acid belongs to the family of Benzoic Acid and Derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. 3-Phenoxybenzoic acid is an endogenous metabolite.
Methyl bisnorbiotinyl ketone
Methyl bisnorbiotinyl ketone is a natural biotin metabolite in human urine. (PMID 9039841). The urinary excretion of Methyl bisnorbiotinyl ketone a increased with biotin administration. (PMID 9022537). Methyl bisnorbiotinyl ketone is a natural biotin metabolite in human urine. (PMID 9039841)
4'-Hydroxy-2-biphenylcarboxylic acid
4-Hydroxy-2-biphenylcarboxylic acid is found in green vegetables. 4-Hydroxy-2-biphenylcarboxylic acid is a constituent of Trifolium repens (white clover)
1-Methyl-3-(2-thiazolyl)-1H-indole
1-Methyl-3-(2-thiazolyl)-1H-indole is found in fruits. 1-Methyl-3-(2-thiazolyl)-1H-indole is from Capsella bursa-pastoris (shepherds purse) infected with Alternaria brassica From Capsella bursa-pastoris (shepherds purse) infected with Alternaria brassicae. 1-Methyl-3-(2-thiazolyl)-1H-indole is found in herbs and spices and fruits.
Ethyl 3-[(2-furanylmethyl)thio]propanoate
Ethyl 3-[(2-furanylmethyl)thio]propanoate is a flavouring ingredient with roasted, nutty-coffee taste at 10ppm. Flavouring ingredient with roasted, nutty-coffee taste at 10ppm
4-(4-Nitrobenzyl)pyridine
C12H10N2O2 (214.07422400000002)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
Etanidazole
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
1,10-dihydro-1,10-dihydroxyfluoren-9-one
1,10-dihydro-1,10-dihydroxyfluoren-9-one, also known as ddf or 1,10-dhfo, is a member of the class of compounds known as fluorenes. Fluorenes are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. 1,10-dihydro-1,10-dihydroxyfluoren-9-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 1,10-dihydro-1,10-dihydroxyfluoren-9-one can be found in a number of food items such as lichee, allium (onion), garden onion, and carrot, which makes 1,10-dihydro-1,10-dihydroxyfluoren-9-one a potential biomarker for the consumption of these food products.
dmst
CONFIDENCE standard compound; EAWAG_UCHEM_ID 340 EAWAG_UCHEM_ID 340; CONFIDENCE standard compound
2-methyl-4-phenylpyrimidine-5-carboxylic acid
C12H10N2O2 (214.07422400000002)
4-(4-Nitrobenzyl)pyridine
C12H10N2O2 (214.07422400000002)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
9-Oxo-4,5,6,7,8,9-hexahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
1,4-bis(hydroxymethyl)-3-hydroxy-3,4,6,7,3a,7a-hexahydro-6-oxainden-5-one|morindacin
1.1-Dimethyl-cyclobutan-essigsaeure-(4)-oxalylsaeure-(2)|2-Oxo-2,2-(2,2-dimethyl-cyclobutan-1,3-diyl)-di-essigsaeure|2-oxo-2,2-(2,2-dimethyl-cyclobutane-1,3-diyl)-di-acetic acid|Pinoyl-ameisensaeure
(3R,4S,5R,7S,8S,9S)-3,8-epoxy-1,7di-hydroxydihyronepetalactone|jatamanin E
multiplolide A
A 10-membered lactone obtained from 10-methyl-9,10-dihydro-2H-oxecin-2-one by the epoxidation of the double bond at position 3-4 and cis-dihydroxylation of the double bond at position 7-8. Multiplolide A was first isolated from the fungus Xylaria multiplex BCC 1111. It shows antifungal activity against Candida albicans.
5-(4,5-Dihydroxypentyl)uracil
A nucleobase analogue that is uracil substituted at position 5 by a 4,5-dihydroxypentyl group.
(+-)-trans-Seneciphyllinsaeure|(R,E)-Seneciphyllic acid|Senecinphyllinsaeure|seneciphyllic acid|Seneciphyllinsaeure|trans-(+-)-Seneciphyllinsaeure
trans-Tridecen-(2)-tetrain-(4,6,8,10)-triol-(1,12,13)|tridec-11t-ene-3,5,7,9-tetrayne-1,2,13-triol|Tridecatetrain-(4,6,8,10)-en-(2)-triol-(1,12,13)
5,6-bis(hydroxymethyl)-4,5,6,8-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one|enicostemin A
4,5,6-trihydroxy-3-methyl-3,4,6,7-tetrahydro-1H-isochromen-8(5H)-one
3,4,4,5-Tetramethoxy-2,5-cyclohexadien-1-one|3,4,4,5-tetramethoxycyclohexa-2,5-dien-1-one|3,4,4,5-Tetramethoxycyclohexa-2,5-dienon|3,4,4,5-tetramethoxycyclohexa-2,5-dienone|pisodienone
methyl 1-hydroxy-2-methoxy-5-ene-4-oxocyclohexanacetate
2,8-Diamino-4-methyl-1H-cyclohepta[1,2-d:3,4-d]diimidazole
4,4-Dimethyl-7??,8??-dihydroxy-3,5-dioxobicyclo[4.3.1]dec-1(10)-en-2-one
(1R,4R,4aS,7aS)-4,7-Dihydroxymethyl-1-hydroxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one|1beta-hydroxy-4-epigardendiol
etanidazole
C274 - Antineoplastic Agent > C798 - Radiosensitizing Agent D011838 - Radiation-Sensitizing Agents D000970 - Antineoplastic Agents
Cyh-chid
3,4-O-Isopropylidene-shikimicn acid is a natural product that can be isolated from the whole plants of Hypericum wightianum. 3,4-O-Isopropylidene-shikimic acid has anti-inflammatory effect and antioxidant activities[1][2].
3-Phenoxybenzoic acid
A phenoxybenzoic acid in which the phenoxy group is meta to the carboxy group. It is a metabolite of pyrethroid insecticides. CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4541; ORIGINAL_PRECURSOR_SCAN_NO 4540 CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4560; ORIGINAL_PRECURSOR_SCAN_NO 4559 CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4529; ORIGINAL_PRECURSOR_SCAN_NO 4528 CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4551; ORIGINAL_PRECURSOR_SCAN_NO 4547 CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582 CONFIDENCE standard compound; INTERNAL_ID 965; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581 CONFIDENCE standard compound; EAWAG_UCHEM_ID 326 CONFIDENCE standard compound; INTERNAL_ID 2005 3-Phenoxybenzoic acid is an endogenous metabolite.
5-(hydroxymethyl)-6-(1-hydroxypropyl)-4-methoxypyran-2-one
METRIBUZIN
C8H14N4OS (214.08882739999999)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
4-Nitrodiphenylamine
C12H10N2O2 (214.07422400000002)
CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4895; ORIGINAL_PRECURSOR_SCAN_NO 4894 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4880; ORIGINAL_PRECURSOR_SCAN_NO 4876 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4916; ORIGINAL_PRECURSOR_SCAN_NO 4913 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4917; ORIGINAL_PRECURSOR_SCAN_NO 4916 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5005; ORIGINAL_PRECURSOR_SCAN_NO 5000 CONFIDENCE standard compound; INTERNAL_ID 399; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4918; ORIGINAL_PRECURSOR_SCAN_NO 4915
Phenylparaben
CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4549; ORIGINAL_PRECURSOR_SCAN_NO 4546 CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4548; ORIGINAL_PRECURSOR_SCAN_NO 4546 CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4573; ORIGINAL_PRECURSOR_SCAN_NO 4572 CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4569; ORIGINAL_PRECURSOR_SCAN_NO 4566 CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4585; ORIGINAL_PRECURSOR_SCAN_NO 4582 CONFIDENCE standard compound; INTERNAL_ID 871; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4583; ORIGINAL_PRECURSOR_SCAN_NO 4581
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine oxalate
6-(2-AMINO-PHENYL)-PYRIDINE-2-CARBOXYLIC ACID
C12H10N2O2 (214.07422400000002)
Propanedinitrile,2-[(3,4-dimethoxyphenyl)methylene]-
C12H10N2O2 (214.07422400000002)
5-oxo-cyclohexane-1,3-dicarboxylic acid dimethyl ester
2-PhenoxyMethylpyrimidine-4-carbaldehyde
C12H10N2O2 (214.07422400000002)
6-PHENYL-2-PYRAZINECARBOXYLIC ACID METHYL ESTER
C12H10N2O2 (214.07422400000002)
2-(7-FLUORO-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
C10H12ClFN2 (214.06729939999997)
Pyrimidine, 4-ethyl-5-methyl-2,6-bis(methylthio)- (9CI)
N N-DIETHYL-4-NITROSOANILINE HYDROCHLOR&
C10H15ClN2O (214.08728499999998)
methyl 2-phenylpyrimidine-5-carboxylate
C12H10N2O2 (214.07422400000002)
5-AMINO-1-(4-METHOXYPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
5-Cyano-2-methylindole-3-acetic acid
C12H10N2O2 (214.07422400000002)
2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)propanoic acid
N-(Piperidin-4-yl)pyrimidin-2-amine hydrochloride
C9H15ClN4 (214.09851799999998)
2-(3-METHOXYPHENYL)PYRIMIDINE-5-CARBOXALDEHYE
C12H10N2O2 (214.07422400000002)
3-(ETHOXYCARBONYL)-1-METHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
4-(6-methylpyrazin-2-yl)oxybenzaldehyde
C12H10N2O2 (214.07422400000002)
8-ethoxy-4-oxo-1H-quinoline-3-carbonitrile
C12H10N2O2 (214.07422400000002)
2H-Isoindole-2-butanenitrile,1,3-dihydro-1,3-dioxo-
C12H10N2O2 (214.07422400000002)
4-chloro-6-morpholin-4-ylpyrimidin-2-amine
C8H11ClN4O (214.06213459999998)
3-(7-Cyano-1H-indol-3-yl)propanoic acid
C12H10N2O2 (214.07422400000002)
6-FLUORO-3-(PYRIDIN-4-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE
4-(1-methyl-6-oxopyridazin-3-yl)benzaldehyde
C12H10N2O2 (214.07422400000002)
N-(2-Hydroxyphenyl)-2-pyridinecarboxamide
C12H10N2O2 (214.07422400000002)
(4-Hydroxy-4-biphenylyl)boronic acid
C12H11BO3 (214.08012060000001)
Methyl 2-amino-4-(tert-butyl)thiazole-5-carboxylate
3-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-PROPIONIC ACID
PYRIDIN-3-YL-CARBAMIC ACID PHENYL ESTER
C12H10N2O2 (214.07422400000002)
4-(4-methoxypyrimidin-2-yl)benzaldehyde
C12H10N2O2 (214.07422400000002)
CHLORODIMETHYL(2,3,4,5-TETRAMETHYL-2,4-CYCLOPENTADIEN-1-YL)SILANE
C11H19ClSi (214.09444839999998)
methyl 8-oxo-1,4-dioxaspiro[4.5]decane-7-carboxylate
4-CHLORO-6-MORPHOLIN-4-YL-PYRIMIDIN-5-YLAMINE
C8H11ClN4O (214.06213459999998)
N-(2-chloro-6-((trimethylsilyl)ethynyl)pyridin-3-yl)pivalamide
2,2-dimethyl-5-(2-methylpropanoyl)-1,3-dioxane-4,6-dione
2-chloro-N-(1-cyanocycloheptyl)acetamide
C10H15ClN2O (214.08728499999998)
2-Chloro-N-ethyl-4-(methylamino)pyrimidine-5-carboxamide
C8H11ClN4O (214.06213459999998)
Phenaglycodol
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
4-((Trimethylsilyl)ethynyl)-1H-pyrrolo[2,3-b]pyridine
1-(4-CHLORO-2-FLUOROPHENYL)-PIPERAZINE
C10H12ClFN2 (214.06729939999997)
4-Methyl-2,2-bipyridine-4-carboxylic acid
C12H10N2O2 (214.07422400000002)
2-CHLORO-2,2-DIMETHYL-4-FLUOROPROPIOPHENONE
C11H12ClFO (214.05606639999996)
N-[2-(aminomethyl)phenyl]-N-methylmethanesulfonamide
ethyl 2-cyano-2-(4-cyanophenyl)acetate
C12H10N2O2 (214.07422400000002)
6-CHLORO-2-(4-MORPHOLINYL)-4-PYRIMIDINAMINE
C8H11ClN4O (214.06213459999998)
1-(2-Cyanoethyl)indole-6-carboxylic acid
C12H10N2O2 (214.07422400000002)
1H-Indole,7-fluoro-2,3-dihydro-2-(4-pyridinyl)-(9CI)
1-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole
5-(2-MORPHOLIN-4-YL-ETHYL)-[1,3,4]THIADIAZOL-2-YLAMINE
C8H14N4OS (214.08882739999999)
N-(2-formylquinolin-6-yl)acetamide
C12H10N2O2 (214.07422400000002)
6-(4-FLUOROPHENYL)-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
C12H7FN2O (214.05423839999997)
(2E)-N-(3,4-DICHLOROPHENYL)-2-(HYDROXYIMINO)ACETAMIDE
3-(5-Methoxy-1H-indol-3-yl)-3-oxopropanenitrile
C12H10N2O2 (214.07422400000002)
1-(PYRIMIDIN-2-YL)PIPERIDIN-4-AMINE HYDROCHLORIDE
C9H15ClN4 (214.09851799999998)
N-(PIPERIDIN-3-YL)PYRIMIDIN-2-AMINE HYDROCHLORIDE
C9H15ClN4 (214.09851799999998)
N-(PIPERIDIN-4-YL)PYRAZIN-2-AMINE HYDROCHLORIDE
C9H15ClN4 (214.09851799999998)
N-METHYL-2-METHYLAMINO-N-PHENYLACETAMIDEHYDROCHLORIDE
C10H15ClN2O (214.08728499999998)
4-Fluoro-3-(4-pyrimidinyl)-1H-pyrrolo[2,3-b]pyridine
5-(3-HYDROXYPHENYL)-PYRIDINE-3-CARBOXAMIDE
C12H10N2O2 (214.07422400000002)
4-(4-methyl-3-nitrophenyl)pyridine
C12H10N2O2 (214.07422400000002)
6-(TRIFLUOROMETHYL)-2,3,4-TRIHYDRONAPHTHALEN-1-ONE
2-Methyl-4-phenyl-5-pyrimidinecarboxylic acid
C12H10N2O2 (214.07422400000002)
2-AMINO-5-(4-METHOXY-PHENYL)-FURAN-3-CARBONITRILE
C12H10N2O2 (214.07422400000002)
Bamnidazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
1-(2-Hydroxyethyl)-3-Methylimidazolium Tetrafluoroborate
4-METHYL-2-PHENYL-5-PYRIMIDINECARBOXYLIC ACID
C12H10N2O2 (214.07422400000002)
5-TERT-BUTYL-1,3,4-THIADIAZOLE-2-CARBOXYLICACIDETHYLESTER
Pyridin-4-yl-carbamic acid phenyl ester
C12H10N2O2 (214.07422400000002)
3-Quinolinecarbonitrile,7-ethoxy-4-hydroxy-(9CI)
C12H10N2O2 (214.07422400000002)
3-[dimethyl(trimethylsilylmethyl)silyl]prop-2-ynoate
C9H18O2Si2 (214.08452880000002)
1H-INDOLE-3-PROPANOIC ACID, 5-CYANO-
C12H10N2O2 (214.07422400000002)
(3-Cyano-2-methyl-indol-1-yl)-acetic acid
C12H10N2O2 (214.07422400000002)
1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
C12H7FN2O (214.05423839999997)
N-(PIPERIDIN-3-YL)PYRAZIN-2-AMINE HYDROCHLORIDE
C9H15ClN4 (214.09851799999998)
1H-Indole,7-fluoro-2,3-dihydro-2-(2-pyridinyl)-(9CI)
Magnesium acetate tetrahydrate
Acetic acid magnesium tetrahydrate is a hydrated form of anhydrous magnesium acetate salt. As a salt form of Magnesium, Magnesium acetate is one of the bioavailable forms of magnesium and forms a very water soluble compound. Acetic acid magnesium tetrahydrate can be used as an electrolyte supplementation or a reagent in molecular biology experiments[1].
N-[3-(AMINOMETHYL)PHENYL]-N-METHYLACETAMIDEHYDROCHLORIDE
C10H15ClN2O (214.08728499999998)
Ethyl 2-(dimethylaminomethyl)-4-thiazolecarboxylate
(3aR,4S,5R,6aS)-4-[(Acetyloxy)methyl]hexahydro-5-hydroxy-2H-cyclopenta[b]furan-2-one
N-(PIPERIDIN-4-YL)METHANESULFONAMIDE HYDROCHLORIDE
5-Methyl-2-(2-pyrimidinyl)benzoic acid
C12H10N2O2 (214.07422400000002)
3-(6-methylpyrazin-2-yl)oxybenzaldehyde
C12H10N2O2 (214.07422400000002)
Pyridine,2-[(4-nitrophenyl)methyl]-
C12H10N2O2 (214.07422400000002)
[(Bicycloheptenyl)ethyl]dimethylchlorosilane
C11H19ClSi (214.09444839999998)
2-Amino-1-(4-(dimethylamino)phenyl)ethanone hydrochloride
C10H15ClN2O (214.08728499999998)
1-(4-Fluorophenyl)-2-oxo-1,2-dihydropyridine-4-carbonitrile
C12H7FN2O (214.05423839999997)
2-amino-N-(2,6-dimethylphenyl)acetamide hydrochloride
C10H15ClN2O (214.08728499999998)
N-(2-hydroxyphenyl)pyridine-3-carboxamide
C12H10N2O2 (214.07422400000002)
N-(2-Hydroxyphenyl)-4-pyridinecarboxamide
C12H10N2O2 (214.07422400000002)
9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, cis-(+)-
5-Fluoro-1-[(oxolan-2-yl)methyl]pyrimidine-2,4(1H,3H)-dione
5-(Hydroxymethyl)-6-(1-hydroxypropyl)-4-methoxypyran-2-one
(1r,2s,3r,4s)-2,3-Dimethyl-7-Oxabicyclo[2.2.1]heptane-2,3-Dicarboxylic Acid
(1S,2S)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol
3-Furan-2-yl-N-pyridin-3-yl-acrylamide
C12H10N2O2 (214.07422400000002)
2-(1,3-Benzothiazol-2-yl)-3-methyl-2-butenenitrile
4-(2-Amino-1-hydroxyethyl)-5-nitrobenzene-1,2-diol
4-(5-(Difluoromethyl)pyridin-2-yl)morpholine
C10H12F2N2O (214.09176459999998)
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2H-pyrimidin-1-yl)oxolane-3,4-diol
3-[(1E)-buta-1,3-dienyl]-5-hydroxyisochromen-1-one
amifostine
C5H15N2O3PS (214.05409699999998)
V - Various > V03 - All other therapeutic products > V03A - All other therapeutic products > V03AF - Detoxifying agents for antineoplastic treatment C26170 - Protective Agent > C2459 - Chemoprotective Agent > C2080 - Cytoprotective Agent D020011 - Protective Agents > D011837 - Radiation-Protective Agents Amifostine (WR2721) is a broad-spectrum cytoprotective agent and a radioprotector. Amifostine selectively protects normal tissues from damage caused by radiation and chemotherapy. Amifostine is potent hypoxia-inducible factor-α1 (HIF-α1) and p53 inducer. Amifostine protects cells from damage by scavenging oxygen-derived free radicals. Amifostine reduces renal toxicity and has antiangiogenic action[1][2][3][4].
Phenyl salicylate
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals ATC code: G04BX12
N,N-dimethyl-N-p-tolylsulfamide
A member of the class of sulfamides that is N,N-dimethylsulfuric diamide substituted by a 4-methylphenyl group at the amino nitrogen atom. It is a metabolite of the agrochemical tolylfluanid.
(+)-(7S,8S)-guaiacylglycerol
The (-)-(7S,8S)-stereoisomer of guaiacylglycerol. It has been isolated from the stems of Sinocalamus affinis.
(-)-(7R,8S)-guaiacylglycerol
The (-)-(7R,8S)-stereoisomer of guaiacylglycerol. It has been isolated from the stems of Sinocalamus affinis.
3-[5-(hydroxymethyl)-5-methyl-2-oxofuran-3-yl]-2-methylpropanoic acid
methyl 4-(acetyloxy)-3-hydroxycyclohex-1-ene-1-carboxylate
7-(methylsulfanyl)trideca-1,3,5,7-tetraen-9,11-diyne
(1s,2z,5s,6s)-2-(octa-2,4,6-triyn-1-ylidene)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
(1s,5s,6s)-2-(octa-2,4,6-triyn-1-ylidene)-3,7-dioxabicyclo[4.1.0]heptan-5-ol
6-hydroxy-7-methyl-1-oxo-hexahydro-3h-cyclopenta[c]pyran-4-carboxylic acid
(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-hy-droxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one
{"Ingredient_id": "HBIN003122","Ingredient_name": "(1r,4r,4as,7as)-4,7-dihydroxymethyl-1-hy-droxyl-1,4,4a,7a-tetrahydrocyclopenta-6-ene[e]pyran-3-one","Alias": "NA","Ingredient_formula": "C10H14O5","Ingredient_Smile": "C1C=C(C2C1C(C(=O)OC2O)CO)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6034","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-3-(1',2',3',4'-tetrahydroxybutyl)pyrazine
{"Ingredient_id": "HBIN005959","Ingredient_name": "2-methyl-3-(1',2',3',4'-tetrahydroxybutyl)pyrazine","Alias": "NA","Ingredient_formula": "C9H14N2O4","Ingredient_Smile": "CC1=CN=C(C=N1)C(C(C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31681","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-methyl-5-(1',2',3',4'-tetrahydroxybutyl)pyrazine
{"Ingredient_id": "HBIN005979","Ingredient_name": "2-methyl-5-(1',2',3',4'-tetrahydroxybutyl)pyrazine","Alias": "NA","Ingredient_formula": "C9H14N2O4","Ingredient_Smile": "CC1=CN=C(C=N1)C(C(C(CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14744","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,4-dimethyl-7α,8β-dihydroxy-3,5-dioxobicyclo[4.3.1]dec-1(10)-en-2-one
{"Ingredient_id": "HBIN009947","Ingredient_name": "4,4-dimethyl-7\u03b1,8\u03b2-dihydroxy-3,5-dioxobicyclo[4.3.1]dec-1(10)-en-2-one","Alias": "NA","Ingredient_formula": "C10H14O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6338","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-3-methylnaphtho[2,3-c]furan-4(9h)-one,9ci
{"Ingredient_id": "HBIN011607","Ingredient_name": "5-hydroxy-3-methylnaphtho[2,3-c]furan-4(9h)-one,9ci","Alias": "NA","Ingredient_formula": "C13H10O3","Ingredient_Smile": "NA","Ingredient_weight": "214.22","OB_score": "NA","CAS_id": "159539-23-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7671","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxy-3-methylnaphtho[2,3-c]furan-4(9h)-one,9ci; Δ9,9a-isomer
{"Ingredient_id": "HBIN011609","Ingredient_name": "5-hydroxy-3-methylnaphtho[2,3-c]furan-4(9h)-one,9ci; \u03949,9a-isomer","Alias": "NA","Ingredient_formula": "C13H10O3","Ingredient_Smile": "NA","Ingredient_weight": "214.22","OB_score": "NA","CAS_id": "159539-25-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7669","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,4r,6r,7r,8e,10s)-6,7-dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-one
2-methyl-4,6,11,13-tetraazatricyclo[8.3.0.0³,⁷]trideca-1,3(7),8,10-tetraene-5,12-diimine
(2r,5z)-5-ethylidene-2-hydroxy-2-methyl-3-methylidenehexanedioic acid
(4r,4as,5r,7as)-5-hydroxy-4,7-bis(hydroxymethyl)-1h,4h,4ah,5h,7ah-cyclopenta[c]pyran-3-one
(3z,5r,6z,8s,9r,10r)-5,8,9-trihydroxy-10-methyl-5,8,9,10-tetrahydrooxecin-2-one
(3as,4r,6as)-6,6a-bis(hydroxymethyl)-4-methoxy-3h,3ah,4h-cyclopenta[b]furan-2-one
(4r,5r,7z)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-dien-4-ol
(4r,6r,7s,8e)-6,7-dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-one
5-ethylidene-2-hydroxy-2-methyl-3-methylidenehexanedioic acid
6-[(2s,3s)-2,3-dihydroxybutan-2-yl]-4-methoxypyran-2-one
(1s,3r,9s,10r)-9-hydroxy-3-methyl-4,11-dioxabicyclo[8.1.0]undecane-5,7-dione
3,4,5-tris(hydroxymethyl)-3h,3ah,4h,6ah-cyclopenta[b]furan-2-one
4-hydroxy-4-(5-oxo-2h-furan-2-yl)butan-2-yl acetate
1,6-dihydroxy-7-methyl-1h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyran-4-carboxylic acid
(3e,5e,7z)-7-(methylsulfanyl)trideca-1,3,5,7-tetraen-9,11-diyne
(1r,2r)-1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol
10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.0²,⁴]dodecan-8-one
1,8a-dihydroxy-3-(1-hydroxyethyl)-3h,6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
3,7-dimethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),7,9-pentaen-11-one
(1s,4s,6s,7s,10s,11s)-7,10-dihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-2-one
(1r,4r,6r,7r,8e,10r)-6,7-dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-one
4-methoxy-[2,2'-bipyridine]-6-carbaldehyde
C12H10N2O2 (214.07422400000002)
6,7-dihydroxy-4-methyl-3,11-dioxabicyclo[8.1.0]undec-8-en-2-one
(4s,4as,5r,7as)-5-hydroxy-7-(hydroxymethyl)-1h,3h,4h,4ah,5h,7ah-cyclopenta[c]pyran-4-carboxylic acid
6,7-dihydroxy-6-methyl-tetrahydro-3ah-spiro[1-benzofuran-3,2'-oxiran]-2-one
6,6a-bis(hydroxymethyl)-4-methoxy-3h,3ah,4h-cyclopenta[b]furan-2-one
(1s,3s,5r,8r,9r,11r)-3-methyl-2,6,12-trioxatetracyclo[6.4.0.0³,¹¹.0⁵,⁹]dodecane-5,11-diol
11-methoxy-2,6-diazatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,8,10-hexaen-12-ol
C12H10N2O2 (214.07422400000002)