Exact Mass: 253.12634409
Exact Mass Matches: 253.12634409
Found 103 metabolites which its exact mass value is equals to given mass value 253.12634409,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Irgarol
C11H19N5S (253.13610939999998)
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
C10H15N5O3 (253.11748400000002)
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-Amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-3H-purin-6-one
C10H15N5O3 (253.11748400000002)
Diethyl 1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Ethacridine
C15H15N3O (253.12150599999998)
D000890 - Anti-Infective Agents C254 - Anti-Infective Agent
Premazepam
C15H15N3O (253.12150599999998)
ethyl 1-cyclohexyl-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate
2-(1-adamantylcarbonyl)hydrazine-1-carbothioamide
C12H19N3OS (253.12487639999998)
2-methyl-4-(7(9)9H-purin-6-ylamino)-butane-1,2,3-triol|6-(2,3,4-trihydroxy-3-methylbutylamino)purine
C10H15N5O3 (253.11748400000002)
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
C10H15N5O3 (253.11748400000002)
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)
N-[1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-methylbutyl]acetamide
N-[[2-chloro-5-(3-methoxypropyl)phenyl]methyl]cyclopropanamine
Premazepam
C15H15N3O (253.12150599999998)
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
3,3-Dimethyl-3H-spiro[benzo[c]furan-1,4-piperidine] hydrochloride
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
5,6-dihydrobenzo[f]isoquinolin-1-yl(trimethyl)silane
C16H19NSi (253.12866939999998)
(5-([TERT-BUTYL(DIMETHYL)SILYL]OXY)PYRIDIN-3-YL)BORONIC ACID
C11H20BNO3Si (253.13054400000004)
1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine
C12H16FN3O2 (253.12264879999998)
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
1-(4-METHOXYBENZYL)-1H-INDAZOL-5-AMINE
C15H15N3O (253.12150599999998)
2-(acetoxymethyl)4-(3-methoxypropoxy)-3-methylpyridine
(R)-1-(TERT-BUTOXYCARBONYL)-2-(PROP-2-YN-1-YL)PYRROLIDINE-2-CARBOXYLIC ACID
4-FLUORO-1,4-PIPERIDINEDICHARBOXYLIC ACID,1(1,1-DIMETHYLETHYL)ESTER, LITHIUM SALT
C11H17FLiNO4 (253.13016040000002)
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
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
acrylic acid, butyl prop-2-enoate, prop-2-enenitrile
9-(4-Hydroxy-2-(hydroxymethyl)butyl)guanine
C10H15N5O3 (253.11748400000002)
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
C15H15N3O (253.12150599999998)
1-[4-(2-Oxo-2-Phenylethyl)phenyl]guanidine
C15H15N3O (253.12150599999998)
Ethacridine
C15H15N3O (253.12150599999998)
D000890 - Anti-Infective Agents C254 - Anti-Infective Agent
1-(1-Adamantylcarbonyl)thiosemicarbazide
C12H19N3OS (253.12487639999998)
(1S)-1-[(2S)-2-amino-4-methylpentanamido]ethyl(methoxy)phosphinate
C9H22N2O4P+ (253.13171219999998)
2-Amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
C15H15N3O (253.12150599999998)
N-(2-ethoxyphenyl)-1H-benzimidazol-2-amine
C15H15N3O (253.12150599999998)
1-(3-Methyl-5-nitroimidazol-4-yl)piperidine-4-carboxamide
C10H15N5O3 (253.11748400000002)
Silanamine, 1,1,1-trimethyl-N-[3-[(trimethylsilyl)oxy]phenyl]-
C12H23NOSi2 (253.13181079999998)
Omaciclovir
C10H15N5O3 (253.11748400000002)
Omaciclovir (H2G) is a potent and selective inhibitor of herpesvirus replication. Omaciclovir is a nucleoside analog with antiviral activity[1].
(2s)-2-amino-n-[hydroxy(methoxy)phosphoryl]-n,4-dimethylpentanehydrazonic acid
(3z,4s)-4-(1-methylimidazol-4-yl)-3-(phenylmethylidene)-4,5-dihydropyrrol-2-ol
C15H15N3O (253.12150599999998)
(2r,3r)-2-methyl-4-(3h-purin-6-ylamino)butane-1,2,3-triol
C10H15N5O3 (253.11748400000002)
4-(1,5-dihydroxyhex-2-en-1-ylidene)-5-hydroxy-2-isopropyl-2h-pyrrol-3-one
(2e)-n-[(2r)-2-ethyl-5-methyl-3-oxofuran-2-yl]-5-hydroxy-3-methylpent-2-enimidic acid
(1s,2s,8r,11r,14r)-14-hydroxy-12,12-dimethyl-9,13-dioxa-6-azatetracyclo[6.6.0.0¹,¹¹.0²,⁶]tetradecan-10-one
2-methyl-4-(3h-purin-6-ylamino)butane-1,2,3-triol
C10H15N5O3 (253.11748400000002)
14-hydroxy-12,12-dimethyl-9,13-dioxa-6-azatetracyclo[6.6.0.0¹,¹¹.0²,⁶]tetradecan-10-one
(2s,3s,4s,9'as)-3-hydroxy-4-methyl-hexahydro-1'h-spiro[oxolane-2,9'-pyrrolo[1,2-a]azepine]-3',5-dione
n-[1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid
1-(hydroxymethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1h-isoquinolin-5-ol
(4s)-4,5-dihydroxy-4-[(2e)-5-hydroxyhex-2-en-1-yl]-2-(propan-2-ylidene)pyrrol-3-one
n-[(1s)-1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]ethanimidic acid
n-[(1s,2s)-1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid
(2e)-n-[(2s)-2-ethyl-5-methyl-3-oxofuran-2-yl]-5-hydroxy-3-methylpent-2-enimidic acid
n-[1-(4-methoxy-6-oxopyran-2-yl)-2-methylbutyl]ethanimidic acid
5,6,7,8-tetramethoxy-1,2,3,4-tetrahydroisoquinoline
(2s,4e)-4-[(2e)-1,5-dihydroxyhex-2-en-1-ylidene]-5-hydroxy-2-isopropyl-2h-pyrrol-3-one
6-[(1r,2s)-1,2-dihydroxypropyl]-2-imino-3-methyl-4a,8a-dihydro-1h-pteridin-4-one
C10H15N5O3 (253.11748400000002)