Exact Mass: 253.1631
Exact Mass Matches: 253.1631
Found 241 metabolites which its exact mass value is equals to given mass value 253.1631,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Irgarol
CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8830; ORIGINAL_PRECURSOR_SCAN_NO 8829 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8893; ORIGINAL_PRECURSOR_SCAN_NO 8891 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8806; ORIGINAL_PRECURSOR_SCAN_NO 8802 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8852; ORIGINAL_PRECURSOR_SCAN_NO 8850 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8811; ORIGINAL_PRECURSOR_SCAN_NO 8810 CONFIDENCE standard compound; INTERNAL_ID 55; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8878; ORIGINAL_PRECURSOR_SCAN_NO 8875 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1011 CONFIDENCE standard compound; EAWAG_UCHEM_ID 302 CONFIDENCE standard compound; INTERNAL_ID 4008 CONFIDENCE standard compound; INTERNAL_ID 8798 CONFIDENCE standard compound; INTERNAL_ID 4034
Penciclovir
Penciclovir is only found in individuals that have used or taken this drug. It is a guanine analogue antiviral drug used for the treatment of various herpesvirus infections. It is a nucleoside analogue which exhibits low toxicity and good selectivity. [Wikipedia]Penciclovir has in vitro activity against herpes simplex virus types 1 (HSV-1) and 2 (HSV-2). In cells infected with HSV-1 or HSV-2, viral thymidine kinase phosphorylates penciclovir to a monophosphate form. The monophosphate form of the drug is then converted to penciclovir triphosphate by cellular kinases. The intracellular triphosphate of penciclovir is retained in vitro inside HSV-infected cells for 10-20 hours, compared with 0.7-1 hour for acyclovir. in vitro studies show that penciclovir triphosphate selectively inhibits viral DNA polymerase by competing with deoxyguanosine triphosphate. Inhibition of DNA synthesis of virus-infected cells inhibits viral replication. In cells not infected with HSV, DNA synthesis is unaltered. Resistant mutants of HSV can occur from qualitative changes in viral thymidine kinase or DNA polymerase. The most commonly encountered acyclovir-resistant mutants that are deficient in viral thymidine kinase are also resistant to penciclovir. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent CONFIDENCE standard compound; EAWAG_UCHEM_ID 3288 KEIO_ID P157; [MS2] KO009149 KEIO_ID P157 Penciclovir (VSA 671) is a potent and selective anti-herpesvirus agent with EC50 values of 0.5, 0.8 μg/ml for HSV-1 (HFEM), HSV-2 (MS), respectively. Penciclovir shows anti-herpesvirus activity with no-toxic. Penciclovir preventes mortality in mouse[1][2].
2-({[(4-methoxyphenyl)methyl](methyl)amino}methyl)-2-methylpropane-1,3-diol
Tolpropamine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Tolpropamine is an alkylamine H1-antihistamine.
2-Amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-3H-purin-6-one
Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
1R-cis-3,3,5-Trimethylcyclohexyl ester5-oxo-L-proline
N-(2-(1-Naphthalenyl)ethyl)cyclobutanecarboxamide
Ethacridine
D000890 - Anti-Infective Agents C254 - Anti-Infective Agent
Nefopam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
nefopam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
(6R,8S)-(+)-herbindole C|(6R,8S)-herbindole C|herbindole C
2.3-di hydroxypropyl-(2-amino-2-deoxy)-beta-D-glucopyranoside
2-allyl-5-(2,3-dihydroxypropyl)-trans-decahydroquinoline
2-methyl-4-(7(9)9H-purin-6-ylamino)-butane-1,2,3-triol|6-(2,3,4-trihydroxy-3-methylbutylamino)purine
methyl 4-amino-2-(2,3-dihydroxy-3-methylbutyl)benzoate
A benzoate ester that is methyl 4-aminobenzoate substituted by a 2,3-dihydroxy-3-methylbutyl group at position 2. It is isolated from the wood-decayed fungus Xylaria sp.BCC9653 and exhibits potent cytotoxicity against African green monkey kidney fibroblast (Vero) cells.
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide
penciclovir
J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AB - Nucleosides and nucleotides excl. reverse transcriptase inhibitors D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C471 - Enzyme Inhibitor > C29575 - DNA Polymerase Inhibitor C254 - Anti-Infective Agent > C281 - Antiviral Agent Penciclovir (VSA 671) is a potent and selective anti-herpesvirus agent with EC50 values of 0.5, 0.8 μg/ml for HSV-1 (HFEM), HSV-2 (MS), respectively. Penciclovir shows anti-herpesvirus activity with no-toxic. Penciclovir preventes mortality in mouse[1][2].
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based: Match]
N-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]acetamide [IIN-based on: CCMSLIB00000848409]
8-Azaspiro[4.5]decane-8-butanoic acid, 7,9-dioxo(buspirone metabolite)
(8S,Z)-6-((2R)-4-hydroxy-2-methylpentylidene)-8-methyloctahydroindolizin-8-ol
(7R,8R,E)-8-methyl-6-((R)-2-methylpentylidene)octahydroindolizine-7,8-diol
3-((2R,5R)-2-allyldecahydroquinolin-5-yl)propane-1,2-diol
N-[1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide
N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
5-tert-butyl-2-(diethylaminomethyl)furan-3-carboxylic acid
2-tri(propan-2-yl)silyl-1,3-oxazole-5-carbaldehyde
3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)-1-PYRROLIDINECARBOXYLIC ACID1,1-DIMETHYLETHYL ESTER
tert-butyl 2-formyl-7-azaspiro[3.5]nonane-7-carboxylate
Meladrazine
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
Premazepam
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1-ETHYL-2-PYRIDIN-3-YL-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-OL
2-(5-AMINO-ISOXAZOL-3-YL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3,3-Dimethyl-3H-spiro[benzo[c]furan-1,4-piperidine] hydrochloride
tert-butyl 3-(2-methyl-2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
6-ethoxy-2,2,4-trimethyl-1H-quinoline,hydrochloride
5-fluoro-2-methoxypyridine-3-boronic acid pinacol ester
N-(3,4-dimethoxyphenyl)-Carbamic acid 1,1-dimethylethyl ester
3-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-5-METHOXYPYRIDINE
5,6-dihydrobenzo[f]isoquinolin-1-yl(trimethyl)silane
2-(1-PHENYL-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)-ETHANOL
(5-([TERT-BUTYL(DIMETHYL)SILYL]OXY)PYRIDIN-3-YL)BORONIC ACID
4,5,7,8-TETRAHYDRO-6H-THIENO[2,3-D]AZEPINE-6-CARBOXYLIC ACID, T-BUTYLESTER
ethyl 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
ST 91
ST91 is a α2-adrenoceptor (α2AR) agonist. ST91 activates both α2AAR and non-α2AAR subtypes to produce spinal antinociception[1][2][3].
Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
ethyl 3-(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-acetate
Crilvastatin
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors D009676 - Noxae > D000963 - Antimetabolites
ETHYL (1R,5R,6R)-5-(1-ETHYLPROPOXY)-7-AZABICYCLO[4.1.0]HEPT-3-ENE-3-CARBOXYLATE
2-(acetoxymethyl)4-(3-methoxypropoxy)-3-methylpyridine
Choline bitartrate
It is used as a food additive Choline bitartrate is a vitamin-like essential nutrient, can affect diseases such as liver disease, atherosclerosis and neurological disorders[1][2]. Choline bitartrate is a precursor for the neurotransmitter acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism[3]. Choline bitartrate is a vitamin-like essential nutrient, can affect diseases such as liver disease, atherosclerosis and neurological disorders[1][2]. Choline bitartrate is a precursor for the neurotransmitter acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism[3]. Choline bitartrate is a vitamin-like essential nutrient, can affect diseases such as liver disease, atherosclerosis and neurological disorders[1][2]. Choline bitartrate is a precursor for the neurotransmitter acetylcholine, as a methyl donor in various metabolic processes, and in lipid metabolism[3].
tert-butyl 4-oxo-8-azaspiro[4.5]decane-8-carboxylate
(R)-1-(TERT-BUTOXYCARBONYL)-2-(PROP-2-YN-1-YL)PYRROLIDINE-2-CARBOXYLIC ACID
2-methyl-1-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydro-1H-isoquinoline
Acetic acid,2-thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
4-FLUORO-1,4-PIPERIDINEDICHARBOXYLIC ACID,1(1,1-DIMETHYLETHYL)ESTER, LITHIUM SALT
5-ethyl-5-(4-methyl-1-piperidyl)-1,3-diazinane-2,4,6-trione
4-(TERT-BUTYL)-N,N-DIMETHYL-[1,1-BIPHENYL]-4-AMINE
tert-butyl 2-(5-cyclopropyl-1H-tetrazol-1-yl)ethylcarbamate
1,2,3,4-tetrahydro-N-(4-methoxyphenyl)-1-Naphthalenamine
2-(3-oxodecahydroquinoxalin-2-yl)-N-propylacetamide
3-fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenylboronic acid
(2-fluoro-4-((4-hydroxypiperidin-1-yl)Methyl)phenyl)boronic acid
3,3-Dimethyl-3H-spiro[isobenzofuran-1,4-piperidine] hydrochloride
3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester
tert-butyl 8-oxo-2-azaspiro[4.5]decane-2-carboxylate
4-(1-ISOPROPYL-1H-PYRROLO[2,3-C]PYRIDIN-3-YL)PYRIMIDIN-2-AMINE
2-TERT-BUTYL 4-METHYL 3,5-DIMETHYL-1H-PYRROLE-2,4-DICARBOXYLATE
TERT-BUTYL 3-[5-(2-AMINO-ETHYL)-THIOPHEN-3-YL]-ACRYLATE
acrylic acid, butyl prop-2-enoate, prop-2-enenitrile
Trimethyldiphenylpropylamine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders
N-(2,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
N-(2,3-Dihydro-1H-inden-5-yl)-5-methyl-2-pyrazinecarboxamide
n-[2-(3,4-Dimethoxyphenyl)ethyl]-1,1,1-trimethylsilanamine
tolpropamine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
(1S)-1-[(2S)-2-amino-4-methylpentanamido]ethyl(methoxy)phosphinate
4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxyllate
2-Amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
2-{2-[4-(Dimethylamino)phenyl]ethenyl}-1-ethylpyridin-1-ium
N-tert-butyl-1,2-dihydroacenaphthylene-5-carboxamide
N2,N4-ditert-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
1-(3-Methyl-5-nitroimidazol-4-yl)piperidine-4-carboxamide
Silanamine, 1,1,1-trimethyl-N-[3-[(trimethylsilyl)oxy]phenyl]-
cyclo(Pro-Arg)
A homodetic cyclic peptide resulting from the formal condensation of both the amino and acid groups of proline with the acid and amino groups of arginine. It is found in the deep-sea sponge Geodia barretti.
Adenine (hemisulfate)
Adenine hemisulfate (6-Aminopurine hemisulfate), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine hemisulfate acts as a chemical component of DNA and RNA. Adenine hemisulfate also plays an important role in biochemistry involved in cellular respiration, the form of both ATP and the cofactors (NAD and FAD), and protein synthesis[1][2]. Adenine hemisulfate (6-Aminopurine hemisulfate), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine hemisulfate acts as a chemical component of DNA and RNA. Adenine hemisulfate also plays an important role in biochemistry involved in cellular respiration, the form of both ATP and the cofactors (NAD and FAD), and protein synthesis[1][2].
Omaciclovir
Omaciclovir (H2G) is a potent and selective inhibitor of herpesvirus replication. Omaciclovir is a nucleoside analog with antiviral activity[1].
