Exact Mass: 238.11837859999997
Exact Mass Matches: 238.11837859999997
Found 500 metabolites which its exact mass value is equals to given mass value 238.11837859999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pirimicarb
CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6664; ORIGINAL_PRECURSOR_SCAN_NO 6663 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6584; ORIGINAL_PRECURSOR_SCAN_NO 6582 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6632; ORIGINAL_PRECURSOR_SCAN_NO 6631 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6671; ORIGINAL_PRECURSOR_SCAN_NO 6669 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6662; ORIGINAL_PRECURSOR_SCAN_NO 6661 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6612; ORIGINAL_PRECURSOR_SCAN_NO 6610 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2711 CONFIDENCE standard compound; INTERNAL_ID 8417 CONFIDENCE standard compound; INTERNAL_ID 4039 CONFIDENCE standard compound; INTERNAL_ID 2577 D010575 - Pesticides > D007306 - Insecticides KEIO_ID P177; [MS3] KO009152 KEIO_ID P177; [MS3] KO009153 KEIO_ID P177; [MS2] KO009151 D016573 - Agrochemicals KEIO_ID P177
Felbamate
Felbamate is an anticonvulsant drug used in the treatment of epilepsy. It is used to treat partial seizures (with and without generalization) in adults and partial and generalized seizures associated with Lennox-Gastaut syndrome in children. It has a weak inhibitory effect on GABA receptor binding sites. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics Felbamate (W-554) is a potent nonsedative anticonvulsant whose clinical effect may be related to the inhibition of N-methyl-D-aspartate (NMDA).
Agroclavine
An ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8.
1,5-Dioxo-7a-methyloctahydro-1H-indene-4-propanoic acid
4'-Methoxychalcone
4-Methoxychalcone is found in citrus. 4-Methoxychalcone is reported to occur in Citrus limon (lemon) (unsubstantiated Reported to occur in Citrus limon (lemon) (unsubstantiated). 4-Methoxychalcone is found in lemon and citrus. 4-Methoxychalcone is a member of chalcones. 4'-Methoxychalcone regulates adipocyte differentiation through PPARγ activation. 4'-Methoxychalcone modulates the expression and secretion of various adipokines in adipose tissue that are involved in insulin sensitivity[1].
Glycyltyrosine
Glycyltyrosine is a dipeptide composed of glycine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Gly-Tyr is a dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. It has a role as a metabolite. It is functionally related to a glycine and a L-tyrosine. A dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. Glycyl-L-tyrosine is a dipeptide containing glycine and L-tyrosine[1].
Secobarbital
Secobarbital is only found in individuals that have used or taken this drug. It is a barbiturate derivative drug. It possesses anaesthetic, anticonvulsant, sedative and hypnotic properties. In the United Kingdom, it was known as Quinalbarbitone. Secobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
Benzyl cinnamate
Benzyl cinnamate is found in cumin. Benzyl cinnamate is isolated from various plant species. Benzyl cinnamate is present in Sumatra and Penang benzoin, Peru and tolu balsams, main constituent of copaiba balsam. Benzyl cinnamate is a flavouring agent. Benzyl cinnamate is isolated from various plant spp.. It is found in Sumatra and Penang benzoin, Peru and tolu balsams, main constituent of copaiba balsam. Can be used as a flavouring agent. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1].
15(R)-hydroperoxy-EPE
15(R)-hydroperoxy-EPE, also known as 4-(2-HYDROXYETHYL)-1-piperazine ethanesulfonate or Hepes, is classified as a member of the N-alkylpiperazines. N-alkylpiperazines are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group. 15(R)-hydroperoxy-EPE is considered to be soluble (in water) and acidic COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS D019995 - Laboratory Chemicals > D002021 - Buffers
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside is found in herbs and spices. (x)-1,2-Propanediol 1-O-b-D-glucopyranoside is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). (x)-1,2-Propanediol 1-O-b-D-glucopyranoside is found in herbs and spices.
Cinnamyl benzoate
Cinnamyl benzoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene
1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is found in herbs and spices. 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is isolated from parsley oil and other Petroselinum species. Isolated from parsley oil and other Petroselinum subspecies 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is found in herbs and spices and parsley.
Tyrosylglycine
Tyrosylglycine is a dipeptide composed of asparagine and glycine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Tyrosylglycine has been identified in the human placenta (PMID: 32033212).
gamma-Glutaminyl-4-hydroxybenzene
gamma-Glutaminyl-4-hydroxybenzene is found in mushrooms. gamma-Glutaminyl-4-hydroxybenzene is isolated from the gill tissue of the edible mushrooms Agaricus bisporus (button mushroom) and Agaricus hortensi
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is found in tea. 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is a constituent of the essential oil Leptospermum scoparium (red tea). Constituent of the essential oil Leptospermum scoparium (red tea). 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is found in tea.
10,11-Dihydrocarbamazepine
Nomifensine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators Nomifensine is a norepinephrine-dopamine reuptake inhibitor that blocks dopamine and norepinephrine reuptake transporters to increase the amount of norepinephrine and dopamine provided to receptors by synapses.
Proxyphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1]. Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1].
4-(4-Aminophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
[(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyhexan-2-yl] 2-hydroxypropanoate
N,N-Dimethyl-4-(3-pyridin-4-ylprop-1-enyl)aniline
Potassium dodecanoate
It is used in foods as a binder, emulsifier and anticaking agent
ObtucarbamateA
Obtucarbamate A isolated from Disporum cantoniense has antitussive activity[1].
Sporothriolide
A furofuran that is (3aR,6aR)-hexahydrofuro[3,4-b]furan substituted by an oxo group at positions 2 and 4, methylene group at position 3 and by an hexyl group at position 6. It is a metabolite isolated from several species of fungi.
Nomifensine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators ORIGINAL_PRECURSOR_SCAN_NO 6773; CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6775 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6775; ORIGINAL_PRECURSOR_SCAN_NO 6773 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6815; ORIGINAL_PRECURSOR_SCAN_NO 6814 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6815; ORIGINAL_PRECURSOR_SCAN_NO 6812 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6843; ORIGINAL_PRECURSOR_SCAN_NO 6841 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6841; ORIGINAL_PRECURSOR_SCAN_NO 6839 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6852; ORIGINAL_PRECURSOR_SCAN_NO 6850 Nomifensine is a norepinephrine-dopamine reuptake inhibitor that blocks dopamine and norepinephrine reuptake transporters to increase the amount of norepinephrine and dopamine provided to receptors by synapses.
Pentaethylene glycol
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5033; ORIGINAL_PRECURSOR_SCAN_NO 5030 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5065; ORIGINAL_PRECURSOR_SCAN_NO 5062 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6656; ORIGINAL_PRECURSOR_SCAN_NO 6654 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5078; ORIGINAL_PRECURSOR_SCAN_NO 5077 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6681; ORIGINAL_PRECURSOR_SCAN_NO 6677 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6680; ORIGINAL_PRECURSOR_SCAN_NO 6679
(-)-heptadeca-1,7t,9t-triene-11,13,15-triyn-6-ol|(all-E)-1,7,9-Heptadecatriene-11,13,15-triyn-6-ol|heptadeca-1,7t,9t-triene-11,13,15-triyn-6-ol|trans.trans-Heptadecatrien-(1.7.9)-triin-(11.13.15)-ol-(6)
1-(3-Methyl-2-oxo-3-pyrrolinyl)-4-methyl-5-oxo-2-pyrrolidinecarboxylic acid
6.6-Dimethyl-5-methoxy-3-hydroxy-2-isobutyryl-cyclohexadien-(2.4)-on-(1) (Agglomeron)|Agglomeron|Agglomerone
(2E,8E,10E)-2,8,10,16-Heptadecatetraene-4,6-diyna|2,8,10,16-Heptadecatetraene-4,6-diynal|heptadeca-2t,8t,10t,16-tetraene-4,6-diynal
2-(3-Methyl-3-hydroxy-1-oxobutyl)-4-(1-hydroxyethyl)phenol
10-hydroxy-8,9-dioxyisopropylidene-thymol|9-hydroxy-8,10-isopropylendioxythymol
(E)-2-methoxy-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
(all-E)-5,7,9,15-Heptadecatetraene-11,13-diyn-4-one
(5E,7E,9Z)-5,7,9-Heptadecatriene-11,13,15-triyn-4-ol
(+)-(7S,8R)-4-hydroxy-3,7-dimethoxy-1,2,3,4,5,6,7-heptanorlign-8-one
decyl hydrogen sulfate
An alkyl sulfate that is the sulfuric ester of decanol.
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-1-pentanone
4,6-dehydro-1,2,4,5-tetrahydro-2,5-dioxopilocarpin
1-[(3S,3aR,6S,7aS)-1,3,3a,6,7,7a-hexahydro-3a,6-dihydroxy-3,7a-dimethyl-3,6-methanobenzofuran-5-yl]ethanone|cucubaldiol
1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
(all-E)-1,7,9,15-Heptadecatetraene-11,13-diyn-6-one
1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methyl-1-propanone
trans-6-(1-hydroxyethyl)-3,4-dihydroxy-2,2-dimethylchromane
2,6-Dimethyl-3-O-methyl-4-isobutyrylphloroglucinol
Benzyl_cinnamate
Benzyl cinnamate is the cinnamate ester derived from cinnamic acid and benzyl alcohol. Occuring in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, it is used in heavy oriental perfumes, as a fixative and as a flavouring agent. It has a role as a flavouring agent, a fragrance, a fixative, an antigen and an epitope. Benzyl cinnamate is a natural product found in Friesodielsia velutina and Isotachis japonica with data available. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1].
felbamate
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018691 - Excitatory Amino Acid Antagonists C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics Felbamate (W-554) is a potent nonsedative anticonvulsant whose clinical effect may be related to the inhibition of N-methyl-D-aspartate (NMDA).
1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one
(E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-one
secobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators CONFIDENCE standard compound; INTERNAL_ID 2307 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8346
OCP_239.0946_17.0
C12H15ClN2O (238.08728499999998)
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1301
PIRIMICARB
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one
Metapramine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
HEPES
D019995 - Laboratory Chemicals > D002021 - Buffers MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; JKMHFZQWWAIEOD-UHFFFAOYSA-N_STSL_0147_HEPES_2000fmol_180419_S2_LC02_MS02_32; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
Tyr-Gly
A dipeptide formed from L-tyrosine and glycine residues.
2,2,4,4-tetramethyl-6-propanoylcyclohexane-1,3,5-trione
Cinnamein
Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1]. Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1].
1-(3-Ethyl-2,4-dihydroxy-6-methoxyphenyl)-1-butanone
2-(2-FLUOROBENZYL)ACETOACETIC ACID ETHYL ESTER
C13H15FO3 (238.10051719999998)
5-METHYL-4-PROPOXY-1,3-PHENYLENEBISBORONIC ACID
C10H16B2O5 (238.11837859999997)
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
tert-butyl 4-cyano-2-ethyl-3-oxopyrrolidine-1-carboxylate
3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-nitrobenzene-1,3-diamine
2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane
C14H19ClO (238.11243539999998)
tert-butyl (3R,5S)-6-chloro-3,5-dihydroxyhexanoate
C10H19ClO4 (238.09718039999998)
tert-butyl 3-(3-amino-1H-pyrazol-5-yl)azetidine-1-carboxylate
2-CHLORO-1-(4-HEXYL-PHENYL)-ETHANONE
C14H19ClO (238.11243539999998)
1-(4-tert-butylphenyl)-4-chlorobutan-1-one
C14H19ClO (238.11243539999998)
dimethoxy-(3-methyl-3-phenylbutyl)silane
C13H22O2Si (238.13889920000003)
1-(4-FLUORO-PHENYL)-5-METHYL-1H-PYRAZOLE-3-CARBOXYLICACID
(2-[(TERT-BUTOXYCARBONYL)AMINO]PYRIDIN-3-YL)BORONIC ACID
5-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
tert-butyl 3-(1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
1-(4-PIPERIDYL)-1H-1,2,3-BENZOTRIAZOLE HYDROCHLORIDE
C11H15ClN4 (238.09851799999998)
2-Amino-6-fluoro pyridine-5-boronic acid pinacol ester
C11H16BFN2O2 (238.12887980000002)
3-Fluoro-2-aminopyridine-5-boronic acid pinacol ester
C11H16BFN2O2 (238.12887980000002)
(9,9-Dimethyl-9H-fluoren-2-yl)boronic acid
C15H15BO2 (238.11650400000002)
4-(PIPERIDIN-4-YLOXY)-BENZONITRILE HYDROCHLORIDE
C12H15ClN2O (238.08728499999998)
6-tert-butoxycarbonylamino-pyridine-2-carboxylic acid
8-METHYL-2,3-DIHYDROFURO[3,2-E]IMIDAZO-[1,2-C]PYRIMIDINE-9-CARBOXYLIC ACID
nealbarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
2-chloro-1-(4-phenylpiperazin-1-yl)ethanone
C12H15ClN2O (238.08728499999998)
6-METHOXY-1,2,3,4-TETRAHYDRO-9 H-PYRIDO[3,4-B]INDOLE HYDROCHLORIDE
C12H15ClN2O (238.08728499999998)
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
2-Phenylh-imidazo[1,2-a]pyridin-6-ylboronic acid
C13H11BN2O2 (238.09135360000002)
N-(4-chlorophenyl)piperidine-4-carboxamide
C12H15ClN2O (238.08728499999998)
2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
tert-Butyl (4-amino-2-methylbutan-2-yl)carbamate hydrochloride
4-(tert-Butyldimethylsiloxy)benzyl alcohol
C13H22O2Si (238.13889920000003)
tert-butyl N-[(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]carbamate
PIPERIDINE-3-CARBOXYLIC ACID (4-CHLORO-PHENYL)-AMIDE
C12H15ClN2O (238.08728499999998)
Benzene, 1-(benzyloxy)-4-(2-propynyloxy)- (7CI,8CI)
3-([(DIETHYLAMINO)CARBONYL]OXY)-4-PYRIDINECARBOXYLIC ACID
Rolodine
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
2-Methyl-5-(6-methyl-benzooxazol-2-yl)-phenylamine
2-(PIPERIDIN-3-YL)BENZO[D]OXAZOLE
C12H15ClN2O (238.08728499999998)
1-(4-CHLORO-PHENYL)-2-PYRROLIDIN-1-YL-ETHYL]-METHYL-AMINE
C13H19ClN2 (238.12366839999999)
N-(2,2-DIMETHOXY-ETHYL)-N-METHYL-2-PYRIDIN-2-YL-ACETAMIDE
Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoate
2-(2-CHLOROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
2,2-dimethylpropane-1,3-diyl cyclohex-4-ene-1,2-dicarboxylate
2-(4-chlorophenyl)-2-piperidin-1-ylethanamine
C13H19ClN2 (238.12366839999999)
tert-butyl 2-methoxy-4,6-dimethylpyrimidine-5-carboxylate
4-Fluoro-3-hydroxyphenylboronic acid pinacol ester
C12H16BFO3 (238.11764680000002)
Acetonitrile,(p-aminophenyl)(p-methoxyphenyl)- (7CI,8CI)
N-(4-AMINOBUTYL)-N-METHYL CARBAMIC ACID TERT-BUTYL ESTER-HCl
(7S)-7-Amino-5,7-dihydro-5-methyl-6H-dibenz[b,d]azepin-6-one
1(2H)-Isoquinolinone, 2-(3-aminopropyl)-, hydrochloride (1:1)
C12H15ClN2O (238.08728499999998)
4-benzylpiperazine-1-carbonyl chloride
C12H15ClN2O (238.08728499999998)
3-chloro-4-(N-cyclohexyl-N-methylamino)aniline
C13H19ClN2 (238.12366839999999)
Piperidine, 1-[(2-chloro-3-pyridinyl)carbonyl]-3-methyl- (9CI)
C12H15ClN2O (238.08728499999998)
TERT-BUTYL 3-AMINO-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
(4-((TERT-BUTOXYCARBONYL)AMINO)PYRIDIN-3-YL)BORONIC ACID
2-(2-PYRIMIDINYL)PROPANEDIOIC ACID 1,3-DIETHYL ESTER
1-(1-PHENYLCYCLOPROPYL)PIPERAZINE HYDROCHLORIDE
C13H19ClN2 (238.12366839999999)
[6-[(tert-Butoxycarbonyl)amino]pyridin-3-yl]boronic acid
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
(9,9-dimethyl-9H-fluoren-4-yl)boronic acid
C15H15BO2 (238.11650400000002)
(S)-(2-methoxyphenyl)((tetrahydro-2H-pyran-4-yl)oxy)methanol
7-cyclopropyl-2,7-diazaspiro[3.5]nonane (dihydrochloride)
1H-Indole,2,3-dihydro-7-(1-methylethyl)-2-(3-pyridinyl)-(9CI)
ALPHA-METHYL-N-PHENYL-1H-BENZOTRIAZOLE-1-METHANAMINE
4-(5-ETHYL-2-METHOXY-PHENYL)-4-HYDROXY-BUTYRIC ACID
6-(5,6-dimethyl-1,3-dihydrobenzoimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]isoxazole-3-carboxylic acid
5-Fluoro-2-hydroxyphenylboronic acid, pinacol ester
C12H16BFO3 (238.11764680000002)
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)ETHANOL
ISOPROPYL β-D-THIOGLUCOPYRANOSIDE
tert-butyl3-(4-amino-1H-pyrazol-1-yl)azetidine-1-carboxylate
1-(3-(4-chlorophenyl)propyl)piperazine
C13H19ClN2 (238.12366839999999)
2-(4-FLUOROBENZYL)ACETOACETICACIDETHYLESTER
C13H15FO3 (238.10051719999998)
tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
4-(4-ETHOXY-3-METHYL-PHENYL)-4-HYDROXY-BUTYRIC ACID
Cicloprofen
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Semaxanib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
PhiKan 083 is a carbazole derivative, which binds to the surface cavity and stabilizes Y220C (a p53 mutant), with a Kd of 167 μM. PhiKan 083 can be used for cancer research[1].
(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 1,6,7,8,9,9a-hexahydro-6-methyl-4-oxo-, ethyl ester
Benzeneacetic acid, 4-methoxy-, trimethylsilyl ester
Acetic acid, [p-(trimethylsiloxy)phenyl]-, methyl ester
Acetic acid, phenyl(trimethylsiloxy)-, methyl ester
Acetic acid, (m-methoxyphenyl)-, trimethylsilyl ester
1-(5-Methoxy-2-[(trimethylsilyl)oxy]phenyl)ethanone
Acetic acid, [m-(trimethylsiloxy)phenyl]-, methyl ester
3-(3-Hydroxy-7,8-dihydro-6H-cyclohepta[D]isoxazol-4-YL)-L-alanine
(2r)-3-{[(Benzylamino)carbonyl]amino}-2-Hydroxypropanoic Acid
4-(Acetylamino)-3-[(diaminomethyl)amino]benzoic acid
Proxyphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1]. Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1].
hydrogen (1S)-1-[(2S)-2-amino-4-methylpentanamido]ethylphosphonate
C8H19N2O4P (238.10823839999998)
(2S)-2-amino-4-(2-amino-3-hydroxy-4-methylphenyl)-4-oxobutanoic acid
[(1S)-1-(L-Leucylamino)ethyl]phosphonic acid
C8H19N2O4P (238.10823839999998)
(2R)-2-amino-4-(2-amino-3-hydroxy-4-methylphenyl)-4-oxobutanoic acid
[(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyhexan-2-yl] 2-hydroxypropanoate
5,7-dimethyl-N-phenyl-2-pyrazolo[1,5-a]pyrimidinamine
2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinamine
2-Chloro-1-(4-isopropylphenyl)-3-methyl-1-butanone
C14H19ClO (238.11243539999998)
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide
3-Methoxy-6-methyl-5-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol
1,2-DI-Tert-butyl-1,2-difluoro-1,2-dimethyldisilane
C10H24F2Si2 (238.13845279999998)
3-(4-Hydroxyphenyl)propionic acid, trimethylsilyl ester
Bicyclo[3.2.0]heptan-2-one, 5-methyl-6-trimethylsilyloxy-6-vinyl-
C13H22O2Si (238.13889920000003)
1-Trimethylsilyloxy-4-butoxybenzene
C13H22O2Si (238.13889920000003)
2-(Trimethylsilylmethyl)benzaldehyde dimethyl acetal
C13H22O2Si (238.13889920000003)
9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid
A dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5, a methyl substituent at position 7a and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer).
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione
2-[4-(2-Hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonate
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Tyr-Gly zwitterion
A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-tyrosylglycine; major species at pH 7.3.