Exact Mass: 341.0462
Exact Mass Matches: 341.0462
Found 156 metabolites which its exact mass value is equals to given mass value 341.0462,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aristolochic acid
Aristolochic acid A is an aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. It has a role as a nephrotoxin, a carcinogenic agent, a mutagen, a toxin and a metabolite. It is a monocarboxylic acid, a C-nitro compound, a cyclic acetal, an organic heterotetracyclic compound, an aromatic ether and a member of aristolochic acids. Aristolochic acid is a natural product found in Thottea duchartrei, Aristolochia, and other organisms with data available. Aristolochic acids are a family of carcinogenic, mutagenic, and nephrotoxic compounds commonly found in the Aristolochiaceae family of plants, including Aristolochia and Asarum (wild ginger), which are commonly used in Chinese herbal medicine. Aristolochic acid I is the most abundant of the aristolochic acids and is found in almost all Aristolochia species. Aristolochic acids are often accompanied by aristolactams. See also: Aristolochia fangchi root (part of). D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1]. Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1].
Propiconazole
CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9740; ORIGINAL_PRECURSOR_SCAN_NO 9738 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9692; ORIGINAL_PRECURSOR_SCAN_NO 9687 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9695; ORIGINAL_PRECURSOR_SCAN_NO 9694 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9733; ORIGINAL_PRECURSOR_SCAN_NO 9731 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9714; ORIGINAL_PRECURSOR_SCAN_NO 9713 CONFIDENCE standard compound; INTERNAL_ID 1346; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9736; ORIGINAL_PRECURSOR_SCAN_NO 9735 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2400 C254 - Anti-Infective Agent > C514 - Antifungal Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 212 CONFIDENCE standard compound; INTERNAL_ID 8415 CONFIDENCE standard compound; INTERNAL_ID 2576 CONFIDENCE standard compound; INTERNAL_ID 4035 KEIO_ID T108; [MS2] KO009255 KEIO_ID T108
Alpha-hydroxymidazolam
Alpha-hydroxymidazolam is a metabolite of midazolam. Midazolam, marketed in English-speaking countries under the trade names Dormicum, Hypnovel, and Versed, is a short-acting drug in the benzodiazepine class developed by Hoffmann-La Roche in the 1970s. The drug is used for treatment of acute seizures, moderate to severe insomnia, and for inducing sedation and amnesia before medical procedures. It possesses profoundly potent anxiolytic, amnestic, hypnotic, anticonvulsant, skeletal muscle relaxant, and sedative properties. (Wikipedia)
7-Chloro-6-demethylcepharadione B
7-Chloro-6-demethylcepharadione B is found in herbs and spices. 7-Chloro-6-demethylcepharadione B is an alkaloid from Houttuynia cordata (Yu Xing Cao).
4-hydroxymidazolam
4-hydroxymidazolam is a metabolite of midazolam. Midazolam (marketed in English-speaking countries under the trade names Dormicum, Hypnovel, and Versed, is a short-acting drug in the benzodiazepine class developed by Hoffmann-La Roche in the 1970s. The drug is used for treatment of acute seizures, moderate to severe insomnia, and for inducing sedation and amnesia before medical procedures. It possesses profoundly potent anxiolytic, amnestic, hypnotic, anticonvulsant, skeletal muscle relaxant, and sedative properties. (Wikipedia)
Alkaloid A6
Alkaloid A6 is found in herbs and spices. Alkaloid A6 is an alkaloid A6 is an alkaloid from callus cultures of several Ruta species. Alkaloid from callus cultures of several Ruta subspecies Alkaloid A6 is found in herbs and spices.
HBOA glucuronide
2-Hydroxy-1,4-benzoxazin-3-one glucuronide (HBOA glucuronide) is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 23681766).
2-Hydroxy-1,4-benzoxazin-3-one glucuronide
Iberin-cysteine-glycine
N-(4-Acetyl-2-(2,4-difluorophenoxy)phenyl)methanesulfonamide
6-Chloro-5-(4-(1-hydroxycyclobutyl)phenyl)-1H-indole-3-carboxylic acid
PF-06409577 is a potent and selective allosteric activator of AMPK α1β1γ1 isoform with an EC50 of 7 nM.
Linotroban
C78275 - Agent Affecting Blood or Body Fluid > C29750 - Thrombolytic Agent
1-(3,4-Dihydroxybenzoyl)-6,7-dihydroxy-3-isoquinolinecarboxylic acid
sialic acid thiol
Aristolochic acid III
Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 10-methoxy-6-nitro- is a natural product found in Aristolochia argentina, Aristolochia clematitis, and other organisms with data available.
7-Chloro-6-demethylcepharadione B
N-({[4-(Trifluoromethoxy)anilino]carbonyl}oxy)pyrazine-2-carboximidamide
1-S-Oxide-3,3-(1-Methyl-2,5-pyrrolidinediyl)bis-1,2-dithiolan-4-ol
Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-,2-hydroxyethyl ester
1,2-Dichloro-8-hydroxy-6-methoxy-7-propyl-9H-pyrrolo[2,1-b][1,3]benzoxazine-9-one
1-Hydroxymidazolam
An imidazobenzodiazepine that is midazolam in which one of the hydrogens of the methyl group is substituted by a hydroxy group. It is the major metabolite of the anesthetic, midazolam. CONFIDENCE standard compound; INTERNAL_ID 2277
PROPICONAZOLE
C254 - Anti-Infective Agent > C514 - Antifungal Agent
4-Hydroxymidazolam
An imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at position 4. It is the minor hydroxylated metabolite of the anesthetic, midazolam.
3-[3-(1,3-benzodioxol-5-yloxy)-2-oxopyrrolidin-1-yl]benzoic acid
2-(3-BROMO-PHENYL)-QUINOLINE-4-CARBOXYLIC ACID METHYL ESTER
2-Naphthalenecarboxamide,N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-
Climazolam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
METHYL 5-OXO-6-TRIFLUOROMETHANESULFONYLOXY-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLATE
4-METHOXY-5-NITRO-3-(TRIFLUOROMETHYL)-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
N-Methyl-2,4-dinitro-N-phenyl-6-(trifluoromethyl)aniline
(1R,4S) Sertraline Hydrochloride
6-Bromo-2-((tert-butyldimethylsilyloxy)methyl)furo[3,2-b]pyridine
tert-Butyl 4-(5-bromopyridin-2-yl)piperazine-1-carboxylate
2-((((9H-FLUOREN-9-YL)METHOXY)CARBONYL)AMINO)MALONIC ACID
tert-butyl 4-(6-bromopyridin-3-yl)piperazine-1-carboxylate
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluoroaniline hydrochloride
3-(1-[(4-methylphenyl)sulfonyl]-1h-indol-3-yl)acrylic acid
2-[(4-amino-2,5-dimethoxyphenyl)sulphonyl]ethyl hydrogen sulphate
BENZYL 1,1-DICHLORO-2-OXO-7-AZASPIRO[3.5]NONANE-7-CARBOXYLATE
tert-Butyl 4-(4-bromopyridin-2-yl)piperazine-1-carboxylate
A 438079 hydrochloride
A 438079 (hydrochloride) is a potent, and selective?P2X7 receptor?antagonist with?pIC50?of 6.9.
N-hydroxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzenecarboximidamide
cis-N-Methyl-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine hydrochloride
2-(4-BROMO-PHENYL)-QUINOLINE-4-CARBOXYLICACIDHYDRAZIDE
Phe-Mer-Nite
D010575 - Pesticides > D005659 - Fungicides, Industrial > D010663 - Phenylmercury Compounds D000890 - Anti-Infective Agents D016573 - Agrochemicals D004202 - Disinfectants
4-[2-CHLORO-5-(TRIFLUOROMETHYL)PHENOXY]-2-FLUOROANILINE HYDROCHLORIDE
(E)-4-Methyl-N-(1-(2-(trifluoroMethyl)phenyl)ethylidene)benzenesulfonaMide
ethyl 6-broMo-5-hydroxy-2-(2-hydroxyethyl)-1-Methyl-1H-indole-3-carboxylate
2-(2-METHYL-1H-BENZO[D]IMIDAZOL-1-YL)-PROPANOIC ACID
tert-Butyl 4-(3-bromopyridin-2-yl)piperazine-1-carboxylate
3-CHLORO-N-METHYL-N-((3-(P-TOLYL)-1,2,4-OXADIAZOL-5-YL)METHYL)BENZAMIDE
tert-butyl 4-(5-bromopyridin-3-yl)piperazine-1-carboxylate
4-(2,3-Dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
4-chloro-N-(2-methylquinolin-6-yl)-2-nitrobenzamide
p-Hydroxymercuribenzoic acid
D010575 - Pesticides > D005659 - Fungicides, Industrial > D010663 - Phenylmercury Compounds D004791 - Enzyme Inhibitors > D006902 - Hydroxymercuribenzoates D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors D004791 - Enzyme Inhibitors > D008626 - Mercuribenzoates
Benzamide, 3-fluoro-N-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxyphenyl)-
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent
Palifosfamide tromethamine
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
3-Hydroxy-4-methoxydiclofenac
An organochlorine compound that is a metabolite of diclofenac having hydroxy and methoxy groups at positions 3 and 4 respectively..
Trimethyl pyrrolo[2,1-a]isoquinoline-1,2,3-tricarboxylate
2,3-Dihydro-5-oxo-N-(3-(trifluoromethyl)phenyl)-5H-thiazolo(3,2-a)pyrimidine-6-carboxamide
4-chloro-N-(8-methyl-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide
1-[(3R,4S)-1-(2,3-dichlorophenyl)-4-hydroxypentan-3-yl]-1H-imidazole-4-carboxamide
1,1,1,3,3,3-Hexafluoro-2-{4-[(2,2,2-trifluoroethyl)amino]phenyl}propan-2-OL
Sertraline hydrochloride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators
8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1]. Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1].
6-Hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
Sulfanyl 5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
2-(1H-benzimidazol-2-ylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
N-[3-[[2-furanyl(oxo)methyl]amino]phenyl]-5-nitro-2-furancarboxamide
4-(4-chlorophenyl)-3-[2-(4-methylphenyl)cyclopropyl]-1H-1,2,4-triazole-5-thione
2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylpyridine-3-carboxylic Acid
3-chloro-N-propan-2-yl-5H-indazolo[2,3-a][3,1]benzoxazine-9-carboxamide
2-(2,4-dichlorophenoxy)-N-[2-(methylthio)phenyl]acetamide
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
1-[2-Chloro-5-(trifluoromethyl)phenyl]sulfonylazepane
(5Z)-5-[4-(benzyloxy)-3-methoxybenzylidene]-1,3-thiazolidine-2,4-dione
1-[4-[(2-Hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]-2-(2-methyl-4-thiazolyl)ethanone
2-(2,6-Dichlorophenyl)-3-(2-furylmethyl)-5-methyl-thiazolidin-4-one
2-Deoxy-5,6-dihydroxy-5,6-dihydrocytidine 5-phosphate
2-(2,6-Dichlorophenyl)-3-(2-furylmethyl)-1,3-thiazinan-4-one
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid
8-amino-2,12-dihydroxy-4a,9-dihydro[1,3,2]dioxaphosphinino[4,5:5,6]pyrano[3,2-g]pteridin-10(4H)-one 2-oxide
A linear-fused organic heterotetracyclic compound consisting of a [1,3,2]dioxaphosphinane fused to a pyran ring which is in turn fused to a pteridine ring system.
Dimethyl 2,5-dichloro-4-methoxycarbonyl phenylaminomethylphophonate
Aristolochic_acid
Aristolochic acid A is an aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. It has a role as a nephrotoxin, a carcinogenic agent, a mutagen, a toxin and a metabolite. It is a monocarboxylic acid, a C-nitro compound, a cyclic acetal, an organic heterotetracyclic compound, an aromatic ether and a member of aristolochic acids. Aristolochic acid is a natural product found in Thottea duchartrei, Aristolochia, and other organisms with data available. Aristolochic acids are a family of carcinogenic, mutagenic, and nephrotoxic compounds commonly found in the Aristolochiaceae family of plants, including Aristolochia and Asarum (wild ginger), which are commonly used in Chinese herbal medicine. Aristolochic acid I is the most abundant of the aristolochic acids and is found in almost all Aristolochia species. Aristolochic acids are often accompanied by aristolactams. See also: Aristolochia fangchi root (part of). An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1]. Aristolochic acid A (Aristolochic acid I; TR 1736) is the main component of plant extract Aristolochic acids, which are found in various herbal plants of genus Aristolochia and Asarum. Aristolochic acid A significantly reduces both activator protein 1 (AP-1) and NF-κB activities. Aristolochic acid A reduces BLCAP gene expression in human cell lines[1].
1-(3,4-Dihydroxybenzoyl)-6,7-dihydroxy-3-isoquinolinecarboxylic acid
2-deoxy-5,6-dihydroxy-5,6-dihydrocytidine 5-monophosphate
A pyrimidine 2-deoxyribonucleoside 5-monophosphate having 5,6-dihydroxy-5,6-dihydrocytosine as the nucleobase. It is a metabolite produced by the bacterium Mycoplasma genitalium.
8-chloro-15,16-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,8,13,15-heptaene-11,12-dione
methyl 8-hydroxy-6-nitro-2h-phenanthro[3,4-d][1,3]dioxole-5-carboxylate
3,4,5-trihydroxy-6-methyloxan-2-yl 6-chloro-1h-indole-3-carboxylate
4-[(3e,5e)-6-chloro-3-(chloromethylidene)hex-5-en-1-yl]-2-(hept-6-yn-1-yl)-1,3-thiazole
Ariskanin A
{"Ingredient_id": "HBIN016753","Ingredient_name": "Ariskanin A","Alias": "AC1NSZ0Y; ariskanin a; methyl 3,4-dimethoxy-10-nitrophenanthrene-1-carboxylate; 128397-31-9","Ingredient_formula": "C18H15NO6","Ingredient_Smile": "COC1=C(C2=C(C(=C1)C(=O)OC)C(=CC3=CC=CC=C32)[N+](=O)[O-])OC","Ingredient_weight": "341.31","OB_score": "109.5065256","CAS_id": "128397-31-9","SymMap_id": "SMIT11790;SMIT14370","TCMID_id": "1691","TCMSP_id": "MOL010799","TCM_ID_id": "21669","PubChem_id": "5320068","DrugBank_id": "NA"}
aristolochic acid b ii methyl ester
{"Ingredient_id": "HBIN016803","Ingredient_name": "aristolochic acid b ii methyl ester","Alias": "NA","Ingredient_formula": "C18H15NO6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
