Exact Mass: 135.0879
Exact Mass Matches: 135.0879
Found 474 metabolites which its exact mass value is equals to given mass value 135.0879,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Adenine
Adenine is the parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6. It has a role as a human metabolite, a Daphnia magna metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a purine nucleobase and a member of 6-aminopurines. It derives from a hydride of a 9H-purine. A purine base and a fundamental unit of adenine nucleotides. Adenine is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Adenine is a natural product found in Fritillaria cirrhosa, Annona purpurea, and other organisms with data available. Adenine is a purine nucleobase with an amine group attached to the carbon at position 6. Adenine is the precursor for adenosine and deoxyadenosine nucleosides. Adenine is a purine base. Adenine is found in both DNA and RNA. Adenine is a fundamental component of adenine nucleotides. Adenine forms adenosine, a nucleoside, when attached to ribose, and deoxyadenosine when attached to deoxyribose; it forms adenosine triphosphate (ATP), a nucleotide, when three phosphate groups are added to adenosine. Adenosine triphosphate is used in cellular metabolism as one of the basic methods of transferring chemical energy between chemical reactions. Purine inborn errors of metabolism (IEM) are serious hereditary disorders, which should be suspected in any case of neonatal fitting, failure to thrive, recurrent infections, neurological deficit, renal disease, self-mutilation and other manifestations. Investigation usually starts with uric acid (UA) determination in urine and plasma. (OMIM 300322, 229600, 603027, 232400, 232600, 232800, 201450, 220150, 232200, 162000, 164050, 278300). (A3372, A3373). Adenine is a metabolite found in or produced by Saccharomyces cerevisiae. A purine base and a fundamental unit of ADENINE NUCLEOTIDES. See also: adenine; dextrose, unspecified form (component of) ... View More ... Adenine is a purine base. Adenine is found in both DNA and RNA. Adenine is a fundamental component of adenine nucleotides. Adenine forms adenosine, a nucleoside, when attached to ribose, and deoxyadenosine when attached to deoxyribose; it forms adenosine triphosphate (ATP), a nucleotide, when three phosphate groups are added to adenosine. Adenosine triphosphate is used in cellular metabolism as one of the basic methods of transferring chemical energy between chemical reactions. Purine inborn errors of metabolism (IEM) are serious hereditary disorders, which should be suspected in any case of neonatal fitting, failure to thrive, recurrent infections, neurological deficit, renal disease, self-mutilation and other manifestations. Investigation usually starts with uric acid (UA) determination in urine and plasma. (OMIM 300322, 229600, 603027, 232400, 232600, 232800, 201450, 220150, 232200, 162000, 164050, 278300). (PMID: 17052198, 17520339). Widespread throughout animal and plant tissue, purine components of DNA, RNA, and coenzymes. Vitamin The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6. Adenine (/ˈædɪnɪn/) (symbol A or Ade) is a purine nucleobase. It is one of the four nucleobases in the nucleic acids of DNA, the other three being guanine (G), cytosine (C), and thymine (T). Adenine derivatives have various roles in biochemistry including cellular respiration, in the form of both the energy-rich adenosine triphosphate (ATP) and the cofactors nicotinamide adenine dinucleotide (NAD), flavin adenine dinucleotide (FAD) and Coenzyme A. It also has functions in protein synthesis and as a chemical component of DNA and RNA.[2] The shape of adenine is complementary to either thymine in DNA or uracil in RNA. The adjacent image shows pure adenine, as an independent molecule. When connected into DNA, a covalent bond is formed between deoxyribose sugar and the bottom left nitrogen (thereby removing the existing hydrogen atom). The remaining structure is called an adenine residue, as part of a larger molecule. Adenosine is adenine reacted with ribose, as used in RNA and ATP; Deoxyadenosine is adenine attached to deoxyribose, as used to form DNA. Adenine forms several tautomers, compounds that can be rapidly interconverted and are often considered equivalent. However, in isolated conditions, i.e. in an inert gas matrix and in the gas phase, mainly the 9H-adenine tautomer is found.[3][4] Purine metabolism involves the formation of adenine and guanine. Both adenine and guanine are derived from the nucleotide inosine monophosphate (IMP), which in turn is synthesized from a pre-existing ribose phosphate through a complex pathway using atoms from the amino acids glycine, glutamine, and aspartic acid, as well as the coenzyme tetrahydrofolate. Adenine (6-Aminopurine), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine acts as a chemical component of DNA and RNA. Adenine 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][3]. Adenine (6-Aminopurine), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine acts as a chemical component of DNA and RNA. Adenine 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][3]. Adenine (6-Aminopurine), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine acts as a chemical component of DNA and RNA. Adenine 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][3].
N-Acetylarylamine
N-Acetylarylamine is an odourless solid chemical of leaf or flake-like appearance. It is also known as acetanilide, N-phenylacetamide, acetanil, or acetanilid, and was formerly known by the trade name Antifebrin. N-Acetylarylamine has analgesic and fever-reducing properties; it is in the same class of drugs as acetaminophen (paracetamol). Under the name acetanilid it formerly figured in the formula of a number of patent medicines and over the counter drugs. In 1948, Julius Axelrod and Bernard Brodie discovered that acetanilide is much more toxic in these applications than other drugs, causing methemoglobinemia and ultimately doing damage to the liver and kidneys. As such, acetanilide has largely been replaced by less toxic drugs, in particular acetaminophen, which is a metabolite of acetanilide and whose use Axelrod and Brodie suggested in the same study. Acetanilide has analgesic and fever-reducing properties; it is in the same class of drugs as acetaminophen (paracetamol). Under the name acetanilid it formerly figured in the formula of a number of patent medicines and over the counter drugs. In 1948, Julius Axelrod and Bernard Brodie discovered that acetanilide is much more toxic in these applications than other drugs, causing methemoglobinemia and ultimately doing damage to the liver and kidneys. As such, acetanilide has largely been replaced by less toxic drugs, in particular acetaminophen, which is a metabolite of acetanilide and whose use Axelrod and Brodie suggested in the same study. KEIO_ID A130
(R)-Amphetamine
==(R)==-Amphetamine is an enantiomer of amphetamine that is urinary metabolite from selegeline (drug used for the treatment of early-stage Parkinsons disease, depression and senile dementia). ==(R)==-Amphetamine as stereoisomer is not considered psychoactive and has little abuse potential. The stimulatory effect on locomotor activity and dopamine synthesis may be contributed to by the action of R-methamphetamine. If anyone is prescribed and takes selegiline, they can and will test positive for amphetamine/methamphetamine on most drug tests. [HMDB] (R)-amphetamine is an enantiomer of amphetamine that is urinary metabolite from selegeline (drug used for the treatment of early-stage Parkinsons disease, depression and senile dementia). (R)-amphetamine as stereoisomer is not considered psychoactive and has little abuse potential. The stimulatory effect on locomotor activity and dopamine synthesis may be contributed to by the action of R-methamphetamine. If anyone is prescribed and takes selegiline, they can and will test positive for amphetamine/methamphetamine on most drug tests. N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
N-benzylformamide
N-benzylformamide, also known as N-(phenylmethyl)formamide, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. N-benzylformamide is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). N-benzylformamide can be synthesized from formamide. N-benzylformamide can also be synthesized into benzylaminocarbonyl group. N-benzylformamide can be found in a number of food items such as enokitake, wax apple, mexican oregano, and adzuki bean, which makes N-benzylformamide a potential biomarker for the consumption of these food products.
2-Phenylacetamide
2-Phenylacetamide is an intermediate in phenylalanine metabolism and styrene degradation(KEGG ID C02505). It is the third to last step in the synthesis of phenylacetylglutamine and is converted from phenylalanine via the enzyme phenylalanine 2-monooxygenase [EC:1.13.12.9]. It is then converted to phenylacetate via the enzyme amidase [EC:3.5.1.4]. [HMDB] 2-Phenylacetamide is an intermediate in phenylalanine metabolism and styrene degradation(KEGG ID C02505). It is the third to last step in the synthesis of phenylacetylglutamine and is converted from phenylalanine via the enzyme phenylalanine 2-monooxygenase [EC:1.13.12.9]. It is then converted to phenylacetate via the enzyme amidase [EC:3.5.1.4]. 2-Phenylacetamide is an endogenous metabolite.
(+)-threo-2-Amino-3,4-dihydroxybutanoic acid
(+)-threo-2-Amino-3,4-dihydroxybutanoic acid is found in mushrooms. (+)-threo-2-Amino-3,4-dihydroxybutanoic acid is isolated from the mushroom Lyophyllum ulmariu
Dextroamphetamine
Dextroamphetamine is only found in individuals that have used or taken this drug. It is the dextrorotary stereoisomer of the amphetamine molecule, which can take two different forms. It is a slightly polar, weak base and is lipophilic. The exact mechanism of action is not known. Dextroamphetamine stimulates the release of norepinephrine from central adrenergic receptors. At higher dosages, it causes release of dopamine from the mesocorticolimbic system and the nigrostriatal dopamine systems by reversal of the monoamine transporters. Dextroamphetamine may also act as a direct agonist on central 5-HT receptors and may inhibit monoamine oxidase (MAO). In the periphery, amphetamines are believed to cause the release of noradrenaline by acting on the adrenergic nerve terminals and alpha- and beta-receptors. Modulation of serotonergic pathways may contribute to the calming affect. N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
N-Methylphenethylamine
N-Methylphenethylamine is a natural product found in Acacia kettlewelliae, Senegalia berlandieri, and other organisms with data available.
iso-nLc8Cer
iso-nLc8Cer, also known as Cumidine or 4-(1-Methylethyl)a0ine, is classified as a member of the Cumenes. Cumenes are aromatic compounds containing a prop-2-ylbenzene moiety. iso-nLc8Cer is considered to be slightly soluble (in water) and basic
2-Aminoacetophenone
2-Aminoacetophenone is found in cereals and cereal products. 2-Aminoacetophenone is a component of tortilla aroma and of other corn flour product Component of tortilla aroma and of other corn flour products. 2-Aminoacetophenone is found in cereals and cereal products.
2-Acetyl-6-methylpyridine
2-Acetyl-6-methylpyridine is found in alcoholic beverages. 2-Acetyl-6-methylpyridine is a minor component of rum. Flavour modifying agent for coffee. Minor component of rum. Flavour modifying agent for coffee. 2-Acetyl-6-methylpyridine is found in alcoholic beverages and coffee and coffee products.
2-Acetyl-4-methylpyridine
2-Acetyl-4-methylpyridine is found in fruits. 2-Acetyl-4-methylpyridine is a component of fig leaf absolute (Ficus carica). Component of fig leaf absolute (Ficus carica). 2-Acetyl-4-methylpyridine is found in fruits.
4-Acetyl-2-methylpyridine
4-Acetyl-2-methylpyridine is found in coffee and coffee products. 4-Acetyl-2-methylpyridine is a component of roasting coffee aroma. Component of roasting coffee aroma. 4-Acetyl-2-methylpyridine is found in coffee and coffee products.
2'-Aminoacetophenone
2-Aminoacetophenone, also known as O-acetylaniline or 1-acetyl-2-aminobenzene, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2-Aminoacetophenone exists as a solid, slightly soluble (in water), and an extremely weak acidic (essentially neutral) compound (based on its pKa). Within the cell, 2-aminoacetophenone is primarily located in the cytoplasm. 2-Aminoacetophenone is a sweet, foxy, and grape tasting compound that can be found in fruits and milk and milk products. This makes 2-aminoacetophenone a potential biomarker for the consumption of these food products. 2'-Aminoacetophenone is an aromatic compound containing a ketone substituted by one alkyl group, and a phenyl group. 2'-Aminoacetophenone can be used as a breath biomarker for the detection of Ps. Aeruginosa infections in the cystic fibrosis lung[1].
4-Acetyl-3-methylpyridine
4-Acetyl-3-methylpyridine is found in coffee and coffee products. 4-Acetyl-3-methylpyridine is a component of roasting coffee aroma. Component of roasting coffee aroma. 4-Acetyl-3-methylpyridine is found in coffee and coffee products.
Amphetamine
Amphetamine is a chiral compound. The racemic mixture can be divided into its optical antipodes: levo- and dextro-amphetamine. Amphetamine is the parent compound of its own structural class, comprising a broad range of psychoactive derivatives, e.g., MDMA (Ecstasy) and the N-methylated form, methamphetamine. Amphetamine is a homologue of phenethylamine. N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
4-(Hydroxymethyl)benzenediazonium(1+)
4-(Hydroxymethyl)benzenediazonium(1+) is found in mushrooms. 4-(Hydroxymethyl)benzenediazonium(1+) is a constituent of the basal stalk of the common edible mushroom Agaricus bisporus
3-Butylpyridine
3-Butylpyridine is found in sweet orange. 3-Butylpyridine is a maillard product. Maillard product. 3-Butylpyridine is found in tea and sweet orange.
3-(2-Methylpropyl)pyridine
3-(2-Methylpropyl)pyridine is a flavouring ingredient. Flavouring ingredient
2-(2-Methylpropyl)pyridine
2-(2-Methylpropyl)pyridine is a flavouring ingredient. Flavouring ingredient
2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde
Proline-derived Maillard product. Proline-derived Maillard product
5-(2-Furanyl)-3,4-dihydro-2H-pyrrole
Proline-derived Maillard product. Proline-derived Maillard product
2-Acetyl-5-methylpyridine
2-Acetyl-5-methylpyridine is found in coffee and coffee products. 2-Acetyl-5-methylpyridine is a component of roasting coffee aroma. Component of roasting coffee aroma. 2-Acetyl-5-methylpyridine is found in coffee and coffee products.
1H-Pyrazolo[3,4-d]pyrimidin-4-amine
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D009676 - Noxae > D000963 - Antimetabolites Pyrazoloadenine is a potent RET (REarranged during Transfection) lung cancer oncoprotein inhibitor. Pyrazoloadenine shows anticancer activity[1][2].
4-Aminobenzamidine
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D000970 - Antineoplastic Agents
N,N-DIMETHYLBENZYLAMINE
N,n-dimethylbenzylamine, also known as N-benzyl-n,n-dimethylamine nitrate or benzyl-dimethyl-amine, is a member of the class of compounds known as phenylmethylamines. Phenylmethylamines are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine. N,n-dimethylbenzylamine is slightly soluble (in water) and a very strong basic compound (based on its pKa). N,n-dimethylbenzylamine can be found in tea, which makes n,n-dimethylbenzylamine a potential biomarker for the consumption of this food product.
N,N-Dimethyl-3-methylaniline
N,n-dimethyl-3-methylaniline is a member of the class of compounds known as aminotoluenes. Aminotoluenes are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group. N,n-dimethyl-3-methylaniline is slightly soluble (in water) and a very strong basic compound (based on its pKa). N,n-dimethyl-3-methylaniline can be found in sweet orange, which makes n,n-dimethyl-3-methylaniline a potential biomarker for the consumption of this food product.
N-Methylphenethylamine
N-methylphenethylamine, also known as N-methylphenethylamine hydrochloride or N-methylphenethylamine, conjugate acid, is a member of the class of compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. N-methylphenethylamine is slightly soluble (in water) and a very strong basic compound (based on its pKa). N-methylphenethylamine can be found in a number of food items such as apple, white cabbage, carrot, and cabbage, which makes N-methylphenethylamine a potential biomarker for the consumption of these food products. N-Methylphenethylamine (NMPEA) is a naturally occurring trace amine neuromodulator in humans that is derived from the trace amine, phenethylamine (PEA). It has been detected in human urine (<1 Œºg over 24 hours) and is produced by phenylethanolamine N-methyltransferase with phenethylamine as a substrate. PEA and NMPEA are both alkaloids that are found in a number of different plant species as well. Some Acacia species, such as A. rigidula, contain remarkably high levels of NMPEA (~2300‚Äì5300 ppm). NMPEA is also present at low concentrations (< 10 ppm) in a wide range of foodstuffs . N-methylphenethylamine, also known as N-methylphenethylamine hydrochloride or N-methylphenethylamine, conjugate acid, is a member of the class of compounds known as phenethylamines. Phenethylamines are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine. N-methylphenethylamine is slightly soluble (in water) and a very strong basic compound (based on its pKa). N-methylphenethylamine can be found in a number of food items such as apple, white cabbage, carrot, and cabbage, which makes N-methylphenethylamine a potential biomarker for the consumption of these food products. N-Methylphenethylamine (NMPEA) is a naturally occurring trace amine neuromodulator in humans that is derived from the trace amine, phenethylamine (PEA). It has been detected in human urine (<1 μg over 24 hours) and is produced by phenylethanolamine N-methyltransferase with phenethylamine as a substrate. PEA and NMPEA are both alkaloids that are found in a number of different plant species as well. Some Acacia species, such as A. rigidula, contain remarkably high levels of NMPEA (~2300–5300 ppm). NMPEA is also present at low concentrations (< 10 ppm) in a wide range of foodstuffs .
4-Hydroxybenzotriazole
CONFIDENCE standard compound; INTERNAL_ID 2380 CONFIDENCE Reference Standard (Level 1); Source; 4OHBT_MSMS.txt CONFIDENCE standard compound; INTERNAL_ID 8681 CONFIDENCE standard compound; INTERNAL_ID 8213 CONFIDENCE standard compound; INTERNAL_ID 4201 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2900 CONFIDENCE standard compound; INTERNAL_ID 2236
1-Hydroxybenzotriazole
CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2378; ORIGINAL_PRECURSOR_SCAN_NO 2376 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2376; ORIGINAL_PRECURSOR_SCAN_NO 2375 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2379; ORIGINAL_PRECURSOR_SCAN_NO 2375 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2370; ORIGINAL_PRECURSOR_SCAN_NO 2369 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2440; ORIGINAL_PRECURSOR_SCAN_NO 2438 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2380; ORIGINAL_PRECURSOR_SCAN_NO 2378 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5008; ORIGINAL_PRECURSOR_SCAN_NO 5005 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5019; ORIGINAL_PRECURSOR_SCAN_NO 5018 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5044; ORIGINAL_PRECURSOR_SCAN_NO 5043 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5043; ORIGINAL_PRECURSOR_SCAN_NO 5039 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5051; ORIGINAL_PRECURSOR_SCAN_NO 5048 CONFIDENCE standard compound; INTERNAL_ID 852; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5050; ORIGINAL_PRECURSOR_SCAN_NO 5049 INTERNAL_ID 852; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5050; ORIGINAL_PRECURSOR_SCAN_NO 5049 CONFIDENCE standard compound; INTERNAL_ID 2232 CONFIDENCE Reference Standard (Level 1); Source; 1OHBT_MSMS.txt CONFIDENCE standard compound; EAWAG_UCHEM_ID 2899
Zarzissine
A organonitrogen heterocyclic compound that is 1H-imidazo[4,5-d]pyridazine substituted by an amino group at position 2. A guanidine alkaloid isolated from Anchinoe paupertas, it exhibits cytotoxic activity against human and murine tumor cell lines.
Benzeneethanamine, a-methyl-
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1540 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2822
4-ISOPROPYLANILINE
CONFIDENCE standard compound; INTERNAL_ID 2430 CONFIDENCE standard compound; INTERNAL_ID 8822 CONFIDENCE standard compound; INTERNAL_ID 8116 CONFIDENCE standard compound; INTERNAL_ID 4145 CONFIDENCE standard compound; EAWAG_UCHEM_ID 52
Adenine
COVID info from PDB, Protein Data Bank, COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2357 INTERNAL_ID 2357; CONFIDENCE Reference Standard (Level 1) MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; GFFGJBXGBJISGV_STSL_0142_Adenine_0125fmol_180430_S2_LC02_MS02_16; 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. Adenine (6-Aminopurine), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine acts as a chemical component of DNA and RNA. Adenine 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][3]. Adenine (6-Aminopurine), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine acts as a chemical component of DNA and RNA. Adenine 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][3]. Adenine (6-Aminopurine), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine acts as a chemical component of DNA and RNA. Adenine 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][3].
2-PHENYLACETAMIDE
A monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2. 2-Phenylacetamide is an endogenous metabolite.
O-Acetylaniline
2'-Aminoacetophenone is an aromatic compound containing a ketone substituted by one alkyl group, and a phenyl group. 2'-Aminoacetophenone can be used as a breath biomarker for the detection of Ps. Aeruginosa infections in the cystic fibrosis lung[1].
6H-Pyrrolo[2,3-d]pyrimidin-6-one, 5,7-dihydro- (8CI)
2-Amino-1,4,5,6-tetrahydropyrimidine Hydrochloride
formic acid, compound with 2-(dimethylamino)ethanol (1:1)
N,1,2,2,2-pentadeuterio-1-(2,3,4,5,6-pentadeuteriophenyl)-N-(trideuteriomethyl)ethanamine
N-Methylbenzamide
N-Methylbenzamide is a potent phosphodiesterase 10A (PDE10A) inhibitor. N-Methylbenzamide has anti-cancer activity[1][2].
1H-Pyrrolo[3,4-c]pyridin-7-amine,2,3-dihydro-(9CI)
2-methyl-3,5,7,8,9-pentazabicyclo[4.3.0]nona-2,4,6,8-tetraene
5H-Pyrrolo[2,3-d]pyrimidin-5-one, 6,7-dihydro- (9CI)
Pyrazolo[1,5-a]pyrimidin-5(4H)-one,2-amino-6,7-dihydro-
3,7,8,9-tetrazabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-amine
5H-Cyclopentapyrimidin-2-amine, 6,7-dihydro- (9CI)
Adenin
COVID info from PDB, Protein Data Bank, COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Adenine (6-Aminopurine), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine acts as a chemical component of DNA and RNA. Adenine 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][3]. Adenine (6-Aminopurine), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine acts as a chemical component of DNA and RNA. Adenine 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][3]. Adenine (6-Aminopurine), a purine, is one of the four nucleobases in the nucleic acid of DNA. Adenine acts as a chemical component of DNA and RNA. Adenine 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][3].
N-Methylphenethylamine
N-Methylbenzeneethanamine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=589-08-2 (retrieved 2024-08-21) (CAS RN: 589-08-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Sympamin
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Levamfetamine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Benzeneacetate
D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
Dextroamphetamine
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
4-Hydroxy-L-threonine
A hydroxy-amino acid consisting of L-threonine having a hydroxy substituent at the 4-position.
O-Aminoacetophenone
An aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group.
glycine betaine hydrate
A hydrate that is the monohydrate form of glycine betaine.
Phenylacetate
A monocarboxylic acid anion that is the conjugate base of phenylacetic acid.
para-isopropylaniline
A substituted aniline carrying an isopropyl group at position 4. It is a metabolite of isoproturon.
4-hydroxy-L-threonine zwitterion
An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 4-hydroxy-L-threonine; major species at pH 7.3.
α-hydroxymethylserine
{"Ingredient_id": "HBIN015557","Ingredient_name": "\u03b1-hydroxymethylserine","Alias": "alpha-hydroxymethylserine","Ingredient_formula": "C4H9NO4","Ingredient_Smile": "CNC(CO)(C(=O)O)O","Ingredient_weight": "135.12 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15891","TCMID_id": "31238;10520","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129856910","DrugBank_id": "NA"}
