Exact Mass: 188.15247000000002

Exact Mass Matches: 188.15247000000002

Found 500 metabolites which its exact mass value is equals to given mass value 188.15247000000002, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

10-Hydroxydecanoic acid

10-hydroxy-decanoic acid

C10H20O3 (188.14123700000002)


10-hydroxycapric acid is a 10-carbon, omega-hydroxy fatty acid, shown to be the preferred hydroxylation product (together with the 9-OH isomer) of capric acid in biosystems, and used as a standard in lipid assays; reported to have cytotoxic effects. It is a straight-chain saturated fatty acid and an omega-hydroxy-medium-chain fatty acid. It is functionally related to a decanoic acid. It is a conjugate acid of a 10-hydroxycaprate. 10-Hydroxydecanoic acid, also known as 10-OH-capric acid or 10-OH-caprate, belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain. Based on a literature review a significant number of articles have been published on 10-Hydroxydecanoic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). 10-hydroxydecanoic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically 10-Hydroxydecanoic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources. 10-Hydroxydecanoic acid (NSC 15139) is a saturated fatty acid of 10-hydroxy-trans-2-decenoic acid from royal jelly, with anti-inflammatory activity[1].

   

Glycylleucine

(2S)-2-(2-aminoacetamido)-4-methylpentanoic acid

C8H16N2O3 (188.11608660000002)


Glycylleucine is a dipeptide composed of glycine and leucine. 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. It appears to be a common substrate for glycyl-leucine dipeptidase. A dipeptide that appears to be a common substrate for glycyl-leucine dipeptidase. [HMDB] KEIO_ID G071 Glycyl-l-leucine is a dipeptide that can be a common substrate for?glycyl-leucine?dipeptidase.

   

Dimethyltryptamine

N-(2-(1H-indol-3-yl)Ethyl)-N,N-dimethylamine (acd/name 4.0)

C12H16N2 (188.13134159999998)


An N-methylated indoleamine derivative, a serotonergic hallucinogen found in several plants, especially Prestonia amazonica (Apocynaceae) and in mammalian brain, blood, and urine. It apparently acts as an agonist at some types of serotonin receptors and an antagonist at others.; DMT is a derivative of tryptamine with two additional methyl groups at the amine nitrogen atom. DMT is often synthesized by the Speeter-Anthony synthesis from indole using oxalyl chloride, dimethylamine, and lithium aluminium hydride as reagents. DMT is usually used in its base form, but it is more stable as a salt, e.g. as a fumarate. In contrast to DMTs base, its salts are water-soluble. DMT in solution degrades relatively fast and should be stored protected from air and light in a freezer. Highly pure DMT crystals, when evaporated out of a solvent and depositing upon glass, often produce small but highly defined white crystalline needles which when viewed under intense light will sparkle, and appear colorless under high magnification. In labs, it has been known to be explosive under a certain degree of heat.; DMT is a powerful psychoactive substance. If DMT is smoked, injected, or orally ingested with an MAOI, it can produce powerful entheogenic experiences including intense visual hallucinations, euphoria, even true hallucinations (perceived extensions of reality). A trip sitter is recommended to assist the drug user in staying physically and mentally healthy, and, in the case of smoked DMT, to catch the pipe if the user loses awareness of it.; DMT is classified in the United States as a Schedule I drug. In December of 2004, the Supreme Court lifted a stay thereby allowing the Brazil-based Uniaeo do Vegetal (UDV) church to use a decoction containing DMT in their Christmas services that year. This decoction is a tea made from boiled leaves and vines, known as hoasca within the UDV, and ayahuasca in different cultures. In Gonzales v. O Centro EspArita Beneficente Uniaeo do Vegetal, the Supreme Court heard arguments on November 1, 2005 and unanimously ruled in February 2006 that the U.S. federal government must allow the UDV to import and consume the tea for religious ceremonies under the 1993 Religious Freedom Restoration Act. There are no drug tests that would show DMT usage. None of the basic NIDA 5 drug tests or any extended drug test will show a result for DMT.; Dimethyltryptamine (DMT), also known as N,N-dimethyltryptamine, is a psychedelic tryptamine. It is not to be confused with 5-MeO-DMT and is similar in chemical structure to the neurotransmitter serotonin. DMT is created in small amounts by the human body during normal metabolism by the enzyme tryptamine-N-methyltransferase. Pure DMT at room temperature is a clear or white crystalline solid. DMT was first chemically synthesized in 1931. It also occurs naturally in many species of plants. DMT-containing plants are used in several South American shamanic practices. It is one of the main active constituents of snuffs like yopo and of the drink ayahuasca.; Oral ingestion: DMT, which is broken down by the digestive enzyme monoamine oxidase, is practically inactive if taken orally, unless combined with a monoamine oxidase inhibitor (MAOI). The traditional South American ayahuasca, or yage, is a tea mixture containing DMT and a MAOI. There are a number of admixtures to this brew, but most commonly it is simply the leaves of Psychotria viridis (containing DMT), and the vine Banisteriopsis caapi (the source of MAOI). Other DMT containing plants, including Diplopterys cabrerana, are sometimes used in ayahuasca in different areas of South America. Two common sources in the western US are Reed canary grass (Phalaris arundinacea) and Harding grass (Phalaris aquatica). These invasive grasses contain low levels of DMT and other alkaloids. Taken orally with an appropriate MAOI, DMT produces a long lasting (over 3 hour), slow, but deep spiritual experience. MAOIs should be used with extreme caution as they... Dimethyltryptamine is an N-methylated indoleamine derivative, a serotonergic hallucinogen found in several plants, especially Prestonia amazonica (Apocynaceae) and in mammalian brain, blood, and urine. It apparently acts as an agonist at some types of serotonin receptors and an antagonist at others. DMT is a derivative of tryptamine with two additional methyl groups at the amine nitrogen atom. DMT is often synthesized by the Speeter-Anthony synthesis from indole using oxalyl chloride, dimethylamine, and lithium aluminium hydride as reagents. DMT is usually used in its base form, but it is more stable as a salt, e.g. as a fumarate. In contrast to DMTs base, its salts are water-soluble. DMT in solution degrades relatively fast and should be stored protected from air and light in a freezer. Highly pure DMT crystals, when evaporated out of a solvent and depositing upon glass, often produce small but highly defined white crystalline needles which when viewed under intense light will sparkle, and appear colorless under high magnification. In labs, it has been known to be explosive under a certain degree of heat. DMT is a powerful psychoactive substance. If DMT is smoked, injected, or orally ingested with an MAOI, it can produce powerful entheogenic experiences including intense visual hallucinations, euphoria, even true hallucinations (perceived extensions of reality). A trip sitter is recommended to assist the drug user in staying physically and mentally healthy, and, in the case of smoked DMT, to catch the pipe if the user loses awareness of it. DMT is classified in the United States as a Schedule I drug. There are no drug tests that would show DMT usage. None of the basic NIDA 5 drug tests or any extended drug test will show a result for DMT. Dimethyltryptamine (DMT), also known as N,N-dimethyltryptamine, is a psychedelic tryptamine. It is not to be confused with 5-MeO-DMT and is similar in chemical structure to the neurotransmitter serotonin. DMT is created in small amounts by the human body during normal metabolism by the enzyme tryptamine-N-methyltransferase. Pure DMT at room temperature is a clear or white crystalline solid. DMT was first chemically synthesized in 1931. It also occurs naturally in many species of plants. DMT-containing plants are used in several South American shamanic practices. It is one of the main active constituents of snuffs like yopo and of the drink ayahuasca. Oral ingestion: DMT, which is broken down by the digestive enzyme monoamine oxidase, is practically inactive if taken orally, unless combined with a monoamine oxidase inhibitor (MAOI). The traditional South American ayahuasca, or yage, is a tea mixture containing DMT and a MAOI. There are a number of admixtures to this brew, but most commonly it is simply the leaves of Psychotria viridis (containing DMT), and the vine Banisteriopsis caapi (the source of MAOI). Other DMT containing plants, including Diplopterys cabrerana, are sometimes used in ayahuasca in different areas of South America. Two common sources in the western US are Reed canary grass (Phalaris arundinacea) and Harding grass (Phalaris aquatica). These invasive grasses contain low levels of DMT and other alkaloids. Taken orally with an appropriate MAOI, DMT produces a long lasting (over 3 hour), slow, but deep spiritual experience. MAOIs should be used with extreme caution as they can have lethal complications with some prescription drugs, such as SSRI antidepressants, and some over-the-counter drugs. Smoked: If DMT is smoked, the maximal effects last for a short period of time (5-30 minutes dose dependent). The onset after inhalation is very fast (less than 45 seconds) and maximal effects are reached within about a minute. The Business Mans lunch trip is a common name due to the relatively short duration of vaporized, insufflated, or injected DMT. D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens

   

PROPAMOCARB

Pesticide9_Propamocarb_C9H20N2O2_Propyl [3-(dimethylamino)propyl]carbamate

C9H20N2O2 (188.15247000000002)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 2945 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3982; ORIGINAL_PRECURSOR_SCAN_NO 3980 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3982; ORIGINAL_PRECURSOR_SCAN_NO 3981 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3972; ORIGINAL_PRECURSOR_SCAN_NO 3970 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3970; ORIGINAL_PRECURSOR_SCAN_NO 3968 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3995; ORIGINAL_PRECURSOR_SCAN_NO 3993 CONFIDENCE standard compound; INTERNAL_ID 1075; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4002; ORIGINAL_PRECURSOR_SCAN_NO 4000 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3996; ORIGINAL_PRECURSOR_SCAN_NO 3993 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3998 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3978; ORIGINAL_PRECURSOR_SCAN_NO 3976 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3986; ORIGINAL_PRECURSOR_SCAN_NO 3985 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4015; ORIGINAL_PRECURSOR_SCAN_NO 4014 CONFIDENCE standard compound; INTERNAL_ID 648; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3969; ORIGINAL_PRECURSOR_SCAN_NO 3968 CONFIDENCE standard compound; INTERNAL_ID 2779

   

Homo-L-arginine

(2S)-2-amino-6-carbamimidamidohexanoic acid

C7H16N4O2 (188.1273196)


L-homoarginine, also known as N6-(aminoiminomethyl)-L-lysine or N6-amidino-L-lysine, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. More specifically, L-homoarginine is a naturally occurring, non-proteinogenic, cationic amino acid. It is formed in the liver in a reaction catalyzed by L-arginine:glycine amidinotransferase (AGAT) when transferring the amidino group from arginine to lysine. It is an alternative substrate for nitric oxide (NO) synthase. L-homoarginine increases the availability of NO and thereby affects endothelial function. High homoarginine levels may exert positive actions that are relevant to cardiovascular health, including enhanced endothelial function, inhibition of platelet aggregation and stimulation of insulin secretion (PMID: 30866658). Recent studies have demonstrated that low serum homoarginine levels are a strong predictor of cardiovascular mortality (PMID: 24583919). L-homoarginine is a substrate of the human cationic amino acid CAT1 [solute carrier family 7 (SLC7A1)], CAT2A (SLC7A2A) or CAT2B (SLC7A2B) (PMID: 28684763). According to published human metabolomic data, L-homoarginine can be found primarily in blood, cerebrospinal fluid (CSF), and urine, as well as in human intestinal and testes tissues. Moreover, L-homoarginine has been found to be associated with liver cirrhosis and the genetic disorder, hyperargininemia. Homoarginine is an organ-specific uncompetitive inhibitor of human liver and bone alkaline phosphohydrolase (PMID: 5063678). H-HoArg-OH, a homologue arginine, is a strong inhibitor of human bone and liver alkaline phosphatase.

   

L-Targinine

(2S)-2-amino-5-(3-methylcarbamimidamido)pentanoic acid

C7H16N4O2 (188.12731960000002)


L-Targinine is found in pulses. L-Targinine is isolated from broad bean seed L-Targinine has been identified in the human placenta (PMID: 32033212). C471 - Enzyme Inhibitor > C29574 - Nitric Oxide Synthase Inhibitor D004791 - Enzyme Inhibitors

   

N6,N6,N6-Trimethyl-L-lysine

S)-5-Amino-5-carboxy-N,N,N-trimethyl-1-pentanaminium

C9H20N2O2 (188.15247000000002)


N6,N6,N6-Trimethyl-L-lysine is a methylated derivative of the amino acid lysine. It is a component of histone proteins, a precursor of carnitine and a coenzyme of fatty acid oxidation. N6,N6,N6-Trimethyl-L-lysine residues are found in a number of proteins and are generated by the action of S-adenosyl-L-methionine on exposed lysine residues. When trimethyllysine is released from cognate proteins via proteolysis, it serves as a precursor for carnitine biosynthesis. Mitochondrial 6-N-trimethyllysine dioxygenase converts 6-N-trimethyllysine to 3-hydroxy-6-N-trimethyllysine as the first step for carnitine biosynthesis. Because the subsequent carnitine biosynthesis enzymes are cytosolic, 3-hydroxy-6-N-trimethyllysine must be transported out of the mitochondria by a putative mitochondrial 6-N-trimethyllysine/3-hydroxy-6-N-trimethyllysine transporter system. Plasma -N-trimethyllysine concentrations are significantly lower in systemic carnitine deficiency patients compared to normal individuals, but no significant difference in urinary -N-trimethyllysine excretion is seen between the two groups. [HMDB] N6,N6,N6-Trimethyl-L-lysine is a methylated derivative of the amino acid lysine. It is a component of histone proteins, a precursor of carnitine and a coenzyme of fatty acid oxidation. N6,N6,N6-Trimethyl-L-lysine residues are found in a number of proteins and are generated by the action of S-adenosyl-L-methionine on exposed lysine residues. When trimethyllysine is released from cognate proteins via proteolysis, it serves as a precursor for carnitine biosynthesis. Mitochondrial 6-N-trimethyllysine dioxygenase converts 6-N-trimethyllysine to 3-hydroxy-6-N-trimethyllysine as the first step for carnitine biosynthesis. Because the subsequent carnitine biosynthesis enzymes are cytosolic, 3-hydroxy-6-N-trimethyllysine must be transported out of the mitochondria by a putative mitochondrial 6-N-trimethyllysine/3-hydroxy-6-N-trimethyllysine transporter system. Plasma -N-trimethyllysine concentrations are significantly lower in systemic carnitine deficiency patients compared to normal individuals, but no significant difference in urinary -N-trimethyllysine excretion is seen between the two groups. D050258 - Mitosis Modulators > D008934 - Mitogens

   

7,8-diaminopelargonate

7,8-Diaminopelargonic acid

C9H20N2O2 (188.15247000000002)


7,8-diaminononanoate, also known as 7,8-dap or 7,8-diaminopelargonic acid, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, 7,8-diaminononanoate is considered to be a fatty acid lipid molecule. 7,8-diaminononanoate is slightly soluble (in water) and a weakly acidic compound (based on its pKa). 7,8-diaminononanoate can be found in a number of food items such as devilfish, walnut, rapini, and swamp cabbage, which makes 7,8-diaminononanoate a potential biomarker for the consumption of these food products. 7,8-diaminononanoate exists in E.coli (prokaryote) and yeast (eukaryote).

   

6-Acetamido-3-aminohexanoate

6-acetamido-3-aminohexanoic acid

C8H16N2O3 (188.11608660000002)


   

6-hydroxy-3,7-dimethyloctanoic acid

6-hydroxy-3,7-dimethyloctanoic acid

C10H20O3 (188.14123700000002)


A hydroxy fatty acid that consists of caprylic acid bearing two additional methyl substituents at positions 3 and 7 as well as a hydroxy substituent at position 6.

   

(3S)-6-Acetamido-3-aminohexanoic acid

(3S)-6-Acetamido-3-aminohexanoic acid

C8H16N2O3 (188.11608660000002)


   

3-hydroxydecanoate

L-beta-Hydroxydecanoic acid

C10H20O3 (188.141237)


3-Hydroxycapric acid (CAS: 14292-26-3) is a normally occurring carboxylic acid in human blood plasma. Medium- and long-chain 3-hydroxymonocarboxylic acids represent intermediates in the beta-oxidation of fatty acids. They accumulate in the plasma of patients with an inherited deficiency of long-chain 3-hydroxyacyl-CoA dehydrogenase (EC 1.1.1.35) (PMID: 1912723). 3-Hydroxyacyl-CoA dehydrogenase (HADH) deficiency has been described in diverse clinical cases: juvenile-onset recurrent myoglobinuria, hypoketotic hypoglycemic encephalopathy, hypertrophic/dilatative cardiomyopathy, sudden infant death, and fulminant hepatic failure (OMIM: 231530). 3-Hydroxycapric acid has some shape-transforming action on the membrane of intact human erythrocytes (PMID: 7318031). 3-hydroxycapric acid is a normally occurring carboxylic acid in human blood plasma. Medium- and long-chain 3-hydroxymonocarboxylic acids represent intermediates in the beta-oxidation of fatty acids. They accumulate in the plasma of patients with an inherited deficiency of long-chain 3-hydroxyacylCoA dehydrogenase [EC 1.1.1.35]. (PMID: 1912723) 3-Hydroxycapric acid is an inhibitor for mitotic progression.

   

Alanylvaline

(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoic acid

C8H16N2O3 (188.11608660000002)


Alanylvaline is a dipeptide composed of alanine and valine. 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.

   

Glycyl-Isoleucine

2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid

C8H16N2O3 (188.11608660000002)


Glycyl-Isoleucine is a dipeptide composed of glycine and isoleucine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

Leucyl-Glycine

2-[(2-Amino-1-hydroxy-4-methylpentylidene)amino]acetate

C8H16N2O3 (188.11608660000002)


Leucyl-Glycine is a dipeptide composed of leucine and glycine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

1,1-Dimethoxynonane

N-Nonanal dimethyl acetal

C11H24O2 (188.1776204)


1,1-Dimethoxynonane is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive .

   

cis-p-Menthane-1,7,8-triol

1-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol

C10H20O3 (188.14123700000002)


trans-p-Menthane-1,7,8-triol is found in herbs and spices. trans-p-Menthane-1,7,8-triol is a constituent of Foeniculum vulgare (fennel) Constituent of Foeniculum vulgare (fennel). cis-p-Menthane-1,7,8-triol is found in herbs and spices.

   

(1R,2R,4R,8R)-p-Menthane-2,8,9-triol

2-(3-hydroxy-4-methylcyclohexyl)propane-1,2-diol

C10H20O3 (188.14123700000002)


(1S*,2S*,4R*,8S*)-p-Menthane-2,8,9-triol is found in fats and oils. (1S*,2S*,4R*,8S*)-p-Menthane-2,8,9-triol is a constituent of fruit of Carum carvi (caraway).

   

(1R,2R,4S)-p-Menthane-1,2,8-triol

4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol

C10H20O3 (188.14123700000002)


(1R,2R,4S)-p-Menthane-1,2,8-triol is found in fats and oils. (1R,2R,4S)-p-Menthane-1,2,8-triol is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1R,2R,4S)-p-Menthane-1,2,8-triol is found in fats and oils and herbs and spices.

   

9-Hydroxydecanoic acid

3-amino-1-Phenyl-1H-4-oxa-5-aza-phenanthrene-2-carbonitrile

C10H20O3 (188.14123700000002)


9-Hydroxydecanoic acid is found in mushrooms. 9-Hydroxydecanoic acid is present in Agaricus campestris (field mushroom). Present in Agaricus campestris (field mushroom). 9-Hydroxydecanoic acid is found in mushrooms.

   

Ethyl (±)-3-hydroxyoctanoate

Ethyl (±)-3-hydroxyoctanoic acid

C10H20O3 (188.14123700000002)


Ethyl (±)-3-hydroxyoctanoate is isolated from various fruits; Ethyl (±)-3-hydroxyoctanoate is a flavouring agent [CCD]. Isolated from various fruits; Flavouring agent [CCD]

   

Polycartine B

1,2,3,4,6,7,8,9-Octahydrophenazine

C12H16N2 (188.13134159999998)


Polycartine B is a flavour enhancer. Flavour enhancer

   

2,6-Dimethyl-7-octene-2,3,6-triol

2,6-Dimethyl-7-octene-2,3,6-triol

C10H20O3 (188.14123700000002)


2,6-Dimethyl-7-octene-2,3,6-triol is found in alcoholic beverages. 2,6-Dimethyl-7-octene-2,3,6-triol is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). 2,6-Dimethyl-7-octene-2,3,6-triol is found in alcoholic beverages, fruits, and common grape.

   

7-Methyl-3-methylene-1,6,7-octanetriol

7-methyl-3-methylideneoctane-1,6,7-triol

C10H20O3 (188.14123700000002)


7-Methyl-3-methylene-1,6,7-octanetriol is found in herbs and spices. 7-Methyl-3-methylene-1,6,7-octanetriol is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). 7-Methyl-3-methylene-1,6,7-octanetriol is found in herbs and spices.

   

5-Methyl-2-phenyl-2-hexenal

a-(3-Methylbutylidene)benzeneacetaldehyde, 9ci

C13H16O (188.12010859999998)


5-Methyl-2-phenyl-2-hexenal is found in cocoa and cocoa products. 5-Methyl-2-phenyl-2-hexenal is a constituent of various plant species and cooked foods e.g. cocoa beans and roasted peanut. 5-Methyl-2-phenyl-2-hexenal is a flavouring ingredient Constituent of various plant subspecies and cooked foods e.g. cocoa beans and roasted peanut. Flavouring ingredient. 5-Methyl-2-phenyl-2-hexenal is found in cocoa and cocoa products and nuts.

   

2-Hydroxydecanoate

(S)-alpha-Hydroxydecanoic acid

C10H20O3 (188.141237)


2-Hydroxydecanoate (CAS: 5393-81-7), also known as alpha-hydroxycapric acid, is classified as a member of the medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 2-Hydroxydecanoate is considered to be a practically insoluble (in water) and a weakly acidic compound. 2-Hydroxydecanoate can be found in feces.

   

(1S,2S,4R,8R)-p-Menthane-1,2,9-triol

4-(1-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol

C10H20O3 (188.14123700000002)


(1S,2S,4R,8R)-p-Menthane-1,2,9-triol is found in herbs and spices. (1S,2S,4R,8R)-p-Menthane-1,2,9-triol is a constituent of caraway fruits. Constituent of caraway fruits. (1S,2S,4R,8R)-p-Menthane-1,2,9-triol is found in herbs and spices.

   

xi-5-Hydroxydecanoic acid

5-Hydroxydecanoic acid, monosodium salt

C10H20O3 (188.14123700000002)


Present as triglycerides in milk/butter fat. The glycerol monoester is a synthetic butter-like flavour ingredient. xi-5-Hydroxydecanoic acid is found in milk and milk products. xi-5-Hydroxydecanoic acid is found in milk and milk products. Present as triglycerides in milk/butter fat. The glycerol monoester is a synthetic butter-like flavour ingredient. D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

   

Valylalanine

(2S)-2-[(2S)-2-amino-3-methylbutanamido]propanoic acid

C8H16N2O3 (188.11608660000002)


Valylalanine is a dipeptide composed of valine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. 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.

   

Isoleucyl-Glycine

2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]acetate

C8H16N2O3 (188.11608660000002)


Isoleucyl-Glycine is a dipeptide composed of isoleucine and glycine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.

   

(R)-3-Hydroxydecanoic acid

Myrmicacin monosodium (+-)-isomer

C10H20O3 (188.14123700000002)


In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.(R)-3-Hydroxydecanoic acid is an intermediate in fatty acid biosynthesis. Specifically,(R)-3-Hydroxydecanoic acid is converted from 3-Oxodecanoic acid via two enzymes; fatty-acid Synthase and 3-oxoacyl- [acyl-carrier- protein] reductase.( EC:2.3.1.85 and EC:1.1.1.100) [HMDB] In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.(R)-3-Hydroxydecanoic acid is an intermediate in fatty acid biosynthesis. Specifically,(R)-3-Hydroxydecanoic acid is converted from 3-Oxodecanoic acid via two enzymes; fatty-acid Synthase and 3-oxoacyl- [acyl-carrier- protein] reductase.( EC:2.3.1.85 and EC:1.1.1.100).

   

2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine

2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine

C12H16N2 (188.13134159999998)


2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine is found in eggs. 2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine is a constituent of chicken eggs. Constituent of chicken eggs. 2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine is found in eggs.

   

2-Butyl-3-phenyl-2-propen-1-al

(2Z)-2-(phenylmethylidene)hexanal

C13H16O (188.12010859999998)


2-Butyl-3-phenyl-2-propen-1-al is a food flavorant.

   

2-Hexyl-1,3-dioxan-5-ol

2-Hexyl-trans-1,3-dioxan-5-ol

C10H20O3 (188.14123700000002)


2-Hexyl-1,3-dioxan-5-ol is a flavouring agent for beverages, baked goods and candies. Flavouring agent for beverages, baked goods and candies

   

2-Hexyl-1,3-dioxolane-4-methanol

Heptanal, cyclic (hydroxymethyl)ethylene acetal

C10H20O3 (188.14123700000002)


2-Hexyl-1,3-dioxolane-4-methanol is a flavouring ingredient for beverages, baked goods and candies. Flavouring ingredient for beverages, baked goods and candies

   

3-Buten-2-one 1-(2,3,6-trimethyl phenyl)

3-Buten-2-one 1-(2,3,6-trimethyl phenyl)

C13H16O (188.12010859999998)


3-buten-2-one 1-(2,3,6-trimethyl phenyl) belongs to the family of Toluenes. These are compounds containing a benzene ring which bears a methane group.

   

1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl

1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl

C13H16O (188.12010859999998)


1-H-inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl belongs to the family of Indanones. These are compounds containing an indane ring bearing a ketone group.

   

2-Hydroxydecanoic acid

2-Hydroxydecanoic acid, monopotassium salt

C10H20O3 (188.14123700000002)


   

N-[2-[2-(2-Aminoethylamino)ethylamino]ethyl]acetamide

N-[2-({2-[(2-aminoethyl)amino]ethyl}amino)ethyl]ethanimidate

C8H20N4O (188.163703)


   

N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester

N-(3-Aminopropyl)-N-methylcarbamic acid tert-butyl ester

C9H20N2O2 (188.15247000000002)


   

N-(3-Amino-3-oxopropyl)-L-valine

2-[(3-Amino-3-oxopropyl)amino]-3-methylbutanoic acid

C8H16N2O3 (188.11608660000002)


   

alpha-Acetyllysine

2-acetyl-2,6-diaminohexanoic acid

C8H16N2O3 (188.11608660000002)


   

Methylarginine

2-amino-5-(N-methylcarbamimidamido)pentanoic acid

C7H16N4O2 (188.12731960000002)


   

delta-N-Methylarginine

2-amino-5-(N-methylcarbamimidamido)pentanoic acid

C7H16N4O2 (188.12731960000002)


   

Congressane

pentacyclo[7.3.1.1^{4,12}.0^{2,7}.0^{6,11}]tetradecane

C14H20 (188.15649200000001)


   

Fenproporex

3-[(1-phenylpropan-2-yl)amino]propanenitrile

C12H16N2 (188.13134159999998)


C78272 - Agent Affecting Nervous System > C29728 - Anorexiant

   

Ipidacrine

1H,2H,3H,5H,6H,7H,8H-cyclopenta[b]quinolin-9-amine

C12H16N2 (188.13134159999998)


N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Irene

1,1,2,6-tetramethyl-1,2,3,4-tetrahydronaphthalene

C14H20 (188.15649200000001)


   

Methyl 9-hydroxynonanoate

Methyl 9-hydroxynonanoic acid

C10H20O3 (188.14123700000002)


   

Methyl L-argininate

methyl 2-amino-5-[(diaminomethylidene)amino]pentanoate

C7H16N4O2 (188.12731960000002)


   

N2-Methyl-L-arginine

5-[(diaminomethylidene)amino]-2-(methylamino)pentanoic acid

C7H16N4O2 (188.12731960000002)


   

(2S)-2-Amino-5-(diaminomethylideneamino)-4-methylpentanoic acid

(2S)-2-Amino-5-(diaminomethylideneamino)-4-methylpentanoic acid

C7H16N4O2 (188.12731960000002)


   

(+/-)-2-Phenyl-4-methyl-2-hexenal

(+/-)-2-Phenyl-4-methyl-2-hexenal

C13H16O (188.12010859999998)


It is used as a food additive .

   

(3Z)-4-(2,3,6-trimethylphenyl)-3-buten-2-one

(3Z)-4-(2,3,5-trimethylphenyl)but-3-en-2-one

C13H16O (188.12010859999998)


Flavouring compound [Flavornet]

   

DIBOA tetrahexose

4-(C-Hydroxycarbonimidoyl)-2-(trimethylazaniumyl)butanoic acid

C8H16N2O3 (188.11608660000002)


   

HMBOA tetrahexose

5-Amino-5-carboxypentyltrimethylammonium

C9H20N2O2 (188.15247000000002)


   
   

2,5-Dimethyl-4-vinyl-2,3,5-hexanetriol

2,5-Dimethyl-4-vinyl-2,3,5-hexanetriol

C10H20O3 (188.14123700000002)


   

[1S-(1a,2a,4b)]-1-methyl-4-(1-methylethyl)-1,2,4-Cyclohexanetriol

[1S-(1a,2a,4b)]-1-methyl-4-(1-methylethyl)-1,2,4-Cyclohexanetriol

C10H20O3 (188.14123700000002)


   

(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene

(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene

C14H20 (188.15649200000001)


   
   
   

[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol

[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol

C10H20O3 (188.14123700000002)


   

cis-Methyl isoeugenol

cis-Methyl isoeugenol

C11H24O2 (188.1776204)


   

3,3,5,6-Tetramethyl-1-indanone

3,3,5,6-Tetramethyl-1-indanone

C13H16O (188.12010859999998)


   

1,3-Dibutyl-2-thiourea

1,3-Dibutyl-2-thiourea

C9H20N2S (188.134712)


   
   

Ipidacrine

Ipidacrine

C12H16N2 (188.13134159999998)


N - Nervous system > N06 - Psychoanaleptics > N06D - Anti-dementia drugs > N06DA - Anticholinesterases C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

2-Methyl-3-N,N-dimethylaminomethylindole

2-Methyl-3-N,N-dimethylaminomethylindole

C12H16N2 (188.13134159999998)


   

4-ethyltetrahydro-3-methyl-5-propylfuran-2,3-diol

4-ethyltetrahydro-3-methyl-5-propylfuran-2,3-diol

C10H20O3 (188.14123700000002)


   
   

5,11-Tridecadiene-7,9-diyn-4-ol|Aethusanol A

5,11-Tridecadiene-7,9-diyn-4-ol|Aethusanol A

C13H16O (188.12010859999998)


   
   

4-(2,3,6-Trimethylphenyl)but-3-en-2-one

4-(2,3,6-Trimethylphenyl)but-3-en-2-one

C13H16O (188.12010859999998)


   
   

13-norcypera-1(5),11(12)-diene

13-norcypera-1(5),11(12)-diene

C14H20 (188.15649200000001)


   
   
   
   

heptanal diethyl acetal

heptanal diethyl acetal

C11H24O2 (188.1776204)


   

(E)-1,5-Tridecadiene-7,9-diyn-4-ol|trans-Trideca-1,5-dien-7,9-diin-4-ol

(E)-1,5-Tridecadiene-7,9-diyn-4-ol|trans-Trideca-1,5-dien-7,9-diin-4-ol

C13H16O (188.12010859999998)


   
   

@2,3-dihydro-aethusanol-B|Dihydroaethusanol B|trideca-8t,10t-diene-4,6-diyn-1-ol

@2,3-dihydro-aethusanol-B|Dihydroaethusanol B|trideca-8t,10t-diene-4,6-diyn-1-ol

C13H16O (188.12010859999998)


   

1,11-Undecanediol

Undecane-1,11-diol

C11H24O2 (188.1776204)


   

1alpha-(Hydroxymethyl)-4beta-(1,2-dihydroxy-1-methylethyl)cyclohexane

1alpha-(Hydroxymethyl)-4beta-(1,2-dihydroxy-1-methylethyl)cyclohexane

C10H20O3 (188.14123700000002)


   

2-(1-phenylethyl)-3,6-dihydro-2H-pyran

2-(1-phenylethyl)-3,6-dihydro-2H-pyran

C13H16O (188.12010859999998)


   

INDOLE, 3-(2-(METHYLAMINO)ETHYL)-1-METHYL-

INDOLE, 3-(2-(METHYLAMINO)ETHYL)-1-METHYL-

C12H16N2 (188.13134159999998)


   
   
   
   

4,6-dimethylnonane-3,7-diol

4,6-dimethylnonane-3,7-diol

C11H24O2 (188.1776204)


   
   
   
   
   

1,3-Di-tert-butyl-2-thiourea

1,3-Di-tert-butyl-2-thiourea

C9H20N2S (188.134712)


   
   
   

Tetraethylthiourea

Tetraethylthiourea

C9H20N2S (188.134712)


   
   
   

4-(3,3-dimethylpenta-1,4-dienyl)phenol

4-(3,3-dimethylpenta-1,4-dienyl)phenol

C13H16O (188.12010859999998)


   

Laminine

2-amino-6-(trimethylazaniumyl)hexanoate

C9H20N2O2 (188.15247000000002)


   

AC-Lys-OH

N-alpha-Acetyl-L-lysine

C8H16N2O3 (188.11608660000002)


An acetyl-L-lysine where the acetyl group is located at the N(2)-posiiton. N-Alpha-acetyllysine is a N-acetylated amino acid. It is a normal constituent of human urine with concentrations in normal samples too small to allow its routine detection; however, it has been found at increased levels in the urine of a patient with aminoacylase I deficiency. (PMID 16274666) [HMDB] Acetyl-L-lysine is an endogenous metabolite.

   

10-Hydroxydecanoate

10-Hydroxydecanoic acid

C10H20O3 (188.14123700000002)


10-Hydroxydecanoic acid (NSC 15139) is a saturated fatty acid of 10-hydroxy-trans-2-decenoic acid from royal jelly, with anti-inflammatory activity[1].

   
   
   
   

N6-acetyl-L-lysine

N(6)-acetyl-L-lysine

C8H16N2O3 (188.11608660000002)


An N(6)-acyl-L-lysine where the N(6)-acyl group is specified as acetyl. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; DTERQYGMUDWYAZ-ZETCQYMHSA-N_STSL_0232_N-epsilon-Acetyl-L-lysine (N6)_8000fmol_190114_S2_LC02MS02_018; 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. Nepsilon-Acetyl-L-lysine is a derivative of the amino acid lysine.

   

Homoarginine

Homo-L-arginine

C7H16N4O2 (188.12731960000002)


An L-lysine derivative that is the L-enantiomer of homoarginine. Homoarginine is a guanidino compounds of guanidinoethanesulfonic acid. It is an organ-specific uncompetitive inhibitor of human liver and bone alkaline phosphohydrolase. (PMID 5063678). L-Homoarginine is found in grass pea. H-HoArg-OH, a homologue arginine, is a strong inhibitor of human bone and liver alkaline phosphatase.

   

Glycylleucine

Glycylleucine

C8H16N2O3 (188.11608660000002)


Annotation level-3 Glycyl-l-leucine is a dipeptide that can be a common substrate for?glycyl-leucine?dipeptidase.

   

Ala-val

2-(2-amino-3-methylbutanamido)propanoic acid

C8H16N2O3 (188.11608660000002)


A dipeptide formed from L-alanyl and L-valine residues.

   

Gly-ile

2-(2-amino-3-methylpentanamido)acetic acid

C8H16N2O3 (188.11608660000002)


A dipeptide formed from glycine and L-isoleucine residues.

   

Gly-leu

Gly-leu

C8H16N2O3 (188.11608660000002)


A dipeptide composed of glycine and L-leucine joined by a peptide linkage.

   
   

10-Hydroxydecanoic acid

10-Hydroxydecanoic acid

C10H20O3 (188.14123700000002)


10-Hydroxydecanoic acid (NSC 15139) is a saturated fatty acid of 10-hydroxy-trans-2-decenoic acid from royal jelly, with anti-inflammatory activity[1].

   
   
   
   

N-Alpha-acetyllysine

N-Alpha-acetyllysine

C8H16N2O3 (188.11608660000002)


MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; VEYYWZRYIYDQJM-ZETCQYMHSA-N_STSL_0236_N-Alpha-acetyllysine_1000fmol_190403_S2_LC02MS02_049; 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.

   
   

Leucylglycine

Leucylglycine

C8H16N2O3 (188.11608660000002)


Annotation level-2

   
   
   

N,N-Dibutylthiourea

N,N-dibutylcarbamimidothioic acid

C9H20N2S (188.134712)


CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4283; ORIGINAL_PRECURSOR_SCAN_NO 4281 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4279; ORIGINAL_PRECURSOR_SCAN_NO 4275 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8580; ORIGINAL_PRECURSOR_SCAN_NO 8578 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8587; ORIGINAL_PRECURSOR_SCAN_NO 8585 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8610; ORIGINAL_PRECURSOR_SCAN_NO 8608 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8628; ORIGINAL_PRECURSOR_SCAN_NO 8626 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8654; ORIGINAL_PRECURSOR_SCAN_NO 8652 CONFIDENCE standard compound; INTERNAL_ID 1353; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8636; ORIGINAL_PRECURSOR_SCAN_NO 8634

   

NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE

NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE

C9H20N2O2 (188.15247000000002)


   
   
   
   
   
   
   
   
   
   

N,N,N-Trimethyl-lysine; AIF; CE0; CorrDec

N,N,N-Trimethyl-lysine; AIF; CE0; CorrDec

C9H20N2O2 (188.15247000000002)


   

N,N,N-Trimethyl-lysine; AIF; CE10; CorrDec

N,N,N-Trimethyl-lysine; AIF; CE10; CorrDec

C9H20N2O2 (188.15247000000002)


   

N,N,N-Trimethyl-lysine; AIF; CE30; CorrDec

N,N,N-Trimethyl-lysine; AIF; CE30; CorrDec

C9H20N2O2 (188.15247000000002)


   

N,N,N-Trimethyl-lysine; AIF; CE0; MS2Dec

N,N,N-Trimethyl-lysine; AIF; CE0; MS2Dec

C9H20N2O2 (188.15247000000002)


   

N,N,N-Trimethyl-lysine; AIF; CE10; MS2Dec

N,N,N-Trimethyl-lysine; AIF; CE10; MS2Dec

C9H20N2O2 (188.15247000000002)


   

N,N,N-Trimethyl-lysine; AIF; CE30; MS2Dec

N,N,N-Trimethyl-lysine; AIF; CE30; MS2Dec

C9H20N2O2 (188.15247000000002)


   
   
   
   
   
   
   
   
   
   
   
   
   
   

3R-hydroxy-decanoic acid

Decanoic acid, 3-hydroxy-, (R)-

C10H20O3 (188.14123700000002)


   

3S-hydroxy-decanoic acid

Decanoic acid, 3-hydroxy-, (S)-

C10H20O3 (188.14123700000002)


   
   
   
   
   
   
   
   
   

D-9-Hydroxydecanoic acid

Decanoic acid, 9-hydroxy-, (R)-

C10H20O3 (188.14123700000002)


   

L-9-Hydroxydecanoic acid

Decanoic acid, 9-hydroxy-, (S)-

C10H20O3 (188.14123700000002)


   
   

Ile-gly

2-(2-aminoacetamido)-3-methylpentanoic acid

C8H16N2O3 (188.11608660000002)


A dipeptide formed from L-isoleucine and glycine residues.

   

Leu-gly

2-(2-aminoacetamido)-4-methylpentanoic acid

C8H16N2O3 (188.11608660000002)


A dipeptide formed from L-leucine and glycine residues.

   

Val-ala

2-(2-aminopropanamido)-3-methylbutanoic acid

C8H16N2O3 (188.11608660000002)


A dipeptide formed from L-valine and L-alanine residues.

   

FEMA 3199

a-(3-Methylbutylidene)benzeneacetaldehyde, 9ci

C13H16O (188.12010859999998)


   

Polycartine B

1,2,3,4,6,7,8,9-Octahydrophenazine

C12H16N2 (188.13134159999998)


   

(1R,2R,4R,8R)-p-Menthane-2,8,9-triol

2-(3-hydroxy-4-methylcyclohexyl)propane-1,2-diol

C10H20O3 (188.14123700000002)


   

7-Methyl-3-methylene-1,6,7-octanetriol

7-methyl-3-methylideneoctane-1,6,7-triol

C10H20O3 (188.14123700000002)


   

2-Isopentyl-7-azaindole

2-(3-Methylbutyl)-1H-pyrrolo[2,3-b]pyridine

C12H16N2 (188.13134159999998)


   

nonanal dimethyl acetal

N-Nonanal dimethyl acetal

C11H24O2 (188.1776204)


   

cis-p-Menthane-1,7,8-triol

1-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol

C10H20O3 (188.14123700000002)


   

FEMA 2191

(2Z)-2-(phenylmethylidene)hexanal

C13H16O (188.12010859999998)


   

2,6-Dimethyl-7-octene-2,3,6-triol

2,6-Dimethyl-7-octene-2,3,6-triol

C10H20O3 (188.14123700000002)


   

(1S,2S,4R,8R)-p-Menthane-1,2,9-triol

4-(1-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol

C10H20O3 (188.14123700000002)


   

Heptanal 1,3-glyceryl acetal

2-Hexyl-trans-1,3-dioxan-5-ol

C10H20O3 (188.14123700000002)


   

FEMA 2542

Heptanal, cyclic (hydroxymethyl)ethylene acetal

C10H20O3 (188.14123700000002)


   

(1R,2R,4S)-p-Menthane-1,2,8-triol

4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol

C10H20O3 (188.14123700000002)


   

Ethyl 3-hydroxyoctanoate

Ethyl (±)-3-hydroxyoctanoate

C10H20O3 (188.14123700000002)


   

3-Buten-2-one 1-(2,3,6-trimethyl phenyl)

3-Buten-2-one 1-(2,3,6-trimethyl phenyl)

C13H16O (188.12010859999998)


   

3,3,5,6-tetramethyl-2,3-dihydro-1H-inden-1-one

1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl

C13H16O (188.12010859999998)


   

1-(2,3,6-trimethylphenyl)but-3-en-2-one

1-(2,3,6-trimethyl phenyl)-3-Buten-2-one

C13H16O (188.12010859999998)


   
   

FA 10:0;O

6-hydroxy-3,7-dimethyloctanoic acid

C10H20O3 (188.14123700000002)


   

7,8-Diaminononanoic acid

7,8-DAP;7,8-DAPA;7,8-Diaminononanoate;7,8-diaminopelargonic acid;DAP;DAPA

C9H20N2O2 (188.15247000000002)


An amino fatty acid carrying amino substituents at positions 7 and 8. Some of its isomers are naturally occurring intermediates of biotin synthesis, and targets of antimicrobial and herbicide development.

   

FOH 10:1;O2

7-methyl-3-methylideneoctane-1,6,7-triol

C10H20O3 (188.14123700000002)


   

FAL 13:5

2-tridecene-4,7-diynal

C13H16O (188.12010859999998)


   

WE 10:0;O

Hexyl (R)-3-hydroxybutyrate

C10H20O3 (188.14123700000002)


   

(2-Amino-tert-butyl)carbamic acid tert-butyl ester

(2-Amino-tert-butyl)carbamic acid tert-butyl ester

C9H20N2O2 (188.15247000000002)


   

n,n-diisobutylthiourea

n,n-diisobutylthiourea

C9H20N2S (188.134712)


   

ALPHA,ALPHA-DICYCLOPROPYLBENZENEMETHANOL

ALPHA,ALPHA-DICYCLOPROPYLBENZENEMETHANOL

C13H16O (188.12010859999998)


   

trimethylsilyl 3,3-dimethylbutanoate

trimethylsilyl 3,3-dimethylbutanoate

C9H20O2Si (188.12325000000004)


   

2,2-DI-N-BUTYL-1,3-PROPANEDIOL

2,2-DI-N-BUTYL-1,3-PROPANEDIOL

C11H24O2 (188.1776204)


   
   

n,n-di-sec-butylthiourea

n,n-di-sec-butylthiourea

C9H20N2S (188.134712)


   

2,2,5,7-TETRAMETHYLTETRALIN

2,2,5,7-TETRAMETHYLTETRALIN

C14H20 (188.15649200000001)


   

tert-butyl N-[2-(dimethylamino)ethyl]carbamate

tert-butyl N-[2-(dimethylamino)ethyl]carbamate

C9H20N2O2 (188.15247000000002)


   

TERT-BUTYL2-(ETHYLAMINO)ETHYLCARBAMATE

TERT-BUTYL2-(ETHYLAMINO)ETHYLCARBAMATE

C9H20N2O2 (188.15247000000002)


   
   

Promoxolane

1,3-Dioxolane-4-methanol,2,2-bis(1-methylethyl)-

C10H20O3 (188.14123700000002)


C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant

   

2,5-Dimethyltryptamine

2-(2,5-DIMETHYL-1H-INDOL-3-YL)-ETHYLAMINE

C12H16N2 (188.13134159999998)


   

(1R,4R)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane

(1R,4R)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane

C12H16N2 (188.13134159999998)


   
   

2-methyldecane-2,5-diol

2-methyldecane-2,5-diol

C11H24O2 (188.1776204)


   
   

N,N-dimethyl-1-(7-methyl-1H-indol-3-yl)methanamine

N,N-dimethyl-1-(7-methyl-1H-indol-3-yl)methanamine

C12H16N2 (188.13134159999998)


   
   

TERT-BUTYL N-(2-AMINO-2-METHYLPROPYL)CARBAMATE

TERT-BUTYL N-(2-AMINO-2-METHYLPROPYL)CARBAMATE

C9H20N2O2 (188.15247000000002)


   

1-Eth-1-ynyl-4-(pentyloxy)benzene

1-Eth-1-ynyl-4-(pentyloxy)benzene

C13H16O (188.12010859999998)


   

H-Gly-Ile-OH

N-Glycyl-L-isoleucine

C8H16N2O3 (188.11608660000002)


   

tert-Butyl L-2-hydroxy-4-methylpentanoate

tert-Butyl L-2-hydroxy-4-methylpentanoate

C10H20O3 (188.14123700000002)


   

1H-Benzimidazole,2-(1,1-dimethylethyl)-5-methyl-(9CI)

1H-Benzimidazole,2-(1,1-dimethylethyl)-5-methyl-(9CI)

C12H16N2 (188.13134159999998)


   
   
   

tert-Butyl-(3-aminobutyl)carbamat

tert-Butyl-(3-aminobutyl)carbamat

C9H20N2O2 (188.15247000000002)


   

(1S,4S)-2-(o-tolyl)-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-(o-tolyl)-2,5-diazabicyclo[2.2.1]heptane

C12H16N2 (188.13134159999998)


   

Acetic acid,2-[2-(1-piperazinyl)ethoxy]-

Acetic acid,2-[2-(1-piperazinyl)ethoxy]-

C8H16N2O3 (188.11608660000002)


   

Quinoxaline, 1,2,3,4-tetrahydro-2-(2-methyl-2-propenyl)- (9CI)

Quinoxaline, 1,2,3,4-tetrahydro-2-(2-methyl-2-propenyl)- (9CI)

C12H16N2 (188.13134159999998)


   

Quinoxaline, 1,2,3,4-tetrahydro-2-(1-methyl-2-propenyl)- (9CI)

Quinoxaline, 1,2,3,4-tetrahydro-2-(1-methyl-2-propenyl)- (9CI)

C12H16N2 (188.13134159999998)


   

1,2-Dihydrospiro[indole-3,4-piperidine]

1,2-Dihydrospiro[indole-3,4-piperidine]

C12H16N2 (188.13134159999998)


   
   

Etryptamine

Etryptamine Acetate

C12H16N2 (188.13134159999998)


C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor

   
   

(1-Allyloxy-but-3-enyl)-benzene

(1-Allyloxy-but-3-enyl)-benzene

C13H16O (188.12010859999998)


   
   

1-Ethyl-2-isopropyl-1H-benzimidazole

1-Ethyl-2-isopropyl-1H-benzimidazole

C12H16N2 (188.13134159999998)


   

1H-Benzimidazole,1-ethyl-2-propyl-(9CI)

1H-Benzimidazole,1-ethyl-2-propyl-(9CI)

C12H16N2 (188.13134159999998)


   

3-methyl-1-phenyl-2-hexene 1,5-epoxide

3-methyl-1-phenyl-2-hexene 1,5-epoxide

C13H16O (188.12010859999998)


   
   

1H-Benzimidazole,1-pentyl-(9CI)

1H-Benzimidazole,1-pentyl-(9CI)

C12H16N2 (188.13134159999998)


   

tert-Butyl 3-(methylamino)propylcarbamate

tert-Butyl 3-(methylamino)propylcarbamate

C9H20N2O2 (188.15247000000002)


   

3-hydroxy Nonanoic Acid methyl ester

3-hydroxy Nonanoic Acid methyl ester

C10H20O3 (188.14123700000002)


   

tert-Butyl-(4-aminobutan-2-yl)carbamat

tert-Butyl-(4-aminobutan-2-yl)carbamat

C9H20N2O2 (188.15247000000002)


   
   
   

2-PHENYL-OCTAHYDRO-PYRROLO[3,4-C]PYRROLE

2-PHENYL-OCTAHYDRO-PYRROLO[3,4-C]PYRROLE

C12H16N2 (188.13134159999998)


   

((1-ETHOXY-2-METHYLPROP-1-EN-1-YL)OXY)TRIMETHYLSILANE

((1-ETHOXY-2-METHYLPROP-1-EN-1-YL)OXY)TRIMETHYLSILANE

C9H20O2Si (188.12325000000004)


   

tert-butyl-(1-methoxyethenoxy)-dimethylsilane

tert-butyl-(1-methoxyethenoxy)-dimethylsilane

C9H20O2Si (188.12325000000004)


   

6-Amino-3-benzyl-3-azabicyclo[3.1.0]hexane

6-Amino-3-benzyl-3-azabicyclo[3.1.0]hexane

C12H16N2 (188.13134159999998)


   

2-(1H-Indol-3-yl)-2-methyl-1-propanamine

2-(1H-Indol-3-yl)-2-methyl-1-propanamine

C12H16N2 (188.13134159999998)


   
   

7-methoxy-3,7-dimethyloctan-2-ol

7-methoxy-3,7-dimethyloctan-2-ol

C11H24O2 (188.1776204)


   

1H-Benzimidazole,2-(1-ethylpropyl)-(9CI)

1H-Benzimidazole,2-(1-ethylpropyl)-(9CI)

C12H16N2 (188.13134159999998)


   

1-methyl-2-(1-methylcyclohexyl)benzene

1-methyl-2-(1-methylcyclohexyl)benzene

C14H20 (188.15649200000001)


   

1-methyl-3-(1-methylcyclohexyl)benzene

1-methyl-3-(1-methylcyclohexyl)benzene

C14H20 (188.15649200000001)


   

2-BENZYL-2,5-DIAZA-BICYCLO[2,2,1]HEPTANE

2-BENZYL-2,5-DIAZA-BICYCLO[2,2,1]HEPTANE

C12H16N2 (188.13134159999998)


   
   

1-cyclohexyl-4-ethylbenzene

1-cyclohexyl-4-ethylbenzene

C14H20 (188.15649200000001)


   

1,1,3,3-tetramethylinden-2-one

1,1,3,3-tetramethylinden-2-one

C13H16O (188.12010859999998)


   

5,5-Diethyltricyclo[5.2.1.02,6]deca-3,8-diene

5,5-Diethyltricyclo[5.2.1.02,6]deca-3,8-diene

C14H20 (188.15649200000001)


   
   
   

3-(tert-butyldimethylsilyloxy)propanal

3-(tert-butyldimethylsilyloxy)propanal

C9H20O2Si (188.12325000000004)


   
   

(2H10)Phenanthrene

(2H10)Phenanthrene

C14D10 (188.14101778)


   

isononanal dimethyl acetal

1,1-Dimethoxy-3,5,5-trimethylhexane

C11H24O2 (188.1776204)


   
   

6-ACETYL-7-METHYL-1,2,3,4-TETRAHYDRONAPHTHALENE

6-ACETYL-7-METHYL-1,2,3,4-TETRAHYDRONAPHTHALENE

C13H16O (188.12010859999998)


   

Quinoxaline, 1,2-dihydro-2-isopropyl-3-methyl- (6CI)

Quinoxaline, 1,2-dihydro-2-isopropyl-3-methyl- (6CI)

C12H16N2 (188.13134159999998)


   

4-PHENYLCYCLOHEXANECARBALDEHYDE

4-PHENYLCYCLOHEXANECARBALDEHYDE

C13H16O (188.12010859999998)


   

Quinoxaline, 1,2,3,4-tetrahydro-1,4-dimethyl-2-vinyl- (7CI)

Quinoxaline, 1,2,3,4-tetrahydro-1,4-dimethyl-2-vinyl- (7CI)

C12H16N2 (188.13134159999998)


   

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene

1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene

C14H20 (188.15649200000001)


   
   

tert-Butyl (R)-2-hydroxy-4-methylpentanoate

tert-Butyl (R)-2-hydroxy-4-methylpentanoate

C10H20O3 (188.14123700000002)


   
   

11-chloro-1-undecene

11-chloro-1-undecene

C11H21Cl (188.1331696)


   
   

2-METHYL-6-PHENYL-CYCLOHEXANONE

2-METHYL-6-PHENYL-CYCLOHEXANONE

C13H16O (188.12010859999998)


   
   

1-cyclohexyl-2-ethylbenzene

1-cyclohexyl-2-ethylbenzene

C14H20 (188.15649200000001)


   

1-cyclohexyl-3-ethylbenzene

1-cyclohexyl-3-ethylbenzene

C14H20 (188.15649200000001)


   

2,3,4,5,6,7,8,9-octadeuterio-1,10-phenanthroline

2,3,4,5,6,7,8,9-octadeuterio-1,10-phenanthroline

C12D8N2 (188.118962224)


   

1-(1H-indol-3-yl)-2-methylpropan-2-amine

1-(1H-indol-3-yl)-2-methylpropan-2-amine

C12H16N2 (188.13134159999998)


   

2-cyclohexyl-1,3-dimethylbenzene

2-cyclohexyl-1,3-dimethylbenzene

C14H20 (188.15649200000001)


   

1-methyl-4-(4-methyl-cyclohexyl)-benzene

1-methyl-4-(4-methyl-cyclohexyl)-benzene

C14H20 (188.15649200000001)


   

N-(TERT-BUTOXYCARBONYL)-2-METHYL-1,3-DIAMINOPROPANE

N-(TERT-BUTOXYCARBONYL)-2-METHYL-1,3-DIAMINOPROPANE

C9H20N2O2 (188.15247000000002)


   

1-Hexen-3-one,5-methyl-1-phenyl-

1-Hexen-3-one,5-methyl-1-phenyl-

C13H16O (188.12010859999998)


   

5-tert-butyl-2,3-dihydroinden-1-one

5-tert-butyl-2,3-dihydroinden-1-one

C13H16O (188.12010859999998)


   

(E)-1,4-BIS(-4-BROMOSTYRYL)BENZENE

(E)-1,4-BIS(-4-BROMOSTYRYL)BENZENE

C13H16O (188.12010859999998)


   
   
   

methyl 3-[3-(dimethylamino)propylamino]propanoate

methyl 3-[3-(dimethylamino)propylamino]propanoate

C9H20N2O2 (188.15247000000002)


   
   

Methanone,cyclopropyl[4-(1-methylethyl)phenyl]-

Methanone,cyclopropyl[4-(1-methylethyl)phenyl]-

C13H16O (188.12010859999998)


   

(2H10)Anthracene

(2H10)Anthracene

C14D10 (188.14101778)


   

4-(4-ISOPROPYLPHENYL)BUT-3-EN-2-ONE

4-(4-ISOPROPYLPHENYL)BUT-3-EN-2-ONE

C13H16O (188.12010859999998)


   

Acetic acid,2-(trimethylsilyl)-, 1,1-dimethylethyl ester

Acetic acid,2-(trimethylsilyl)-, 1,1-dimethylethyl ester

C9H20O2Si (188.12325000000004)


   

tert-butyldimethylsilyl (r)-(-)-glycidy&

tert-butyldimethylsilyl (r)-(-)-glycidy&

C9H20O2Si (188.12325000000004)


   

tert-butyl 2-aminopropyl(methyl)carbamate

tert-butyl 2-aminopropyl(methyl)carbamate

C9H20N2O2 (188.15247000000002)


   
   

Di-t-butyl(i-propyl)phosphine

Di-t-butyl(i-propyl)phosphine

C11H25P (188.169378)


   

ethyl 2-methyl-2-trimethylsilyl-propanoate

ethyl 2-methyl-2-trimethylsilyl-propanoate

C9H20O2Si (188.12325000000004)


   

2-(2,2-Dimethylpropyl)-1H-benzimidazole

2-(2,2-Dimethylpropyl)-1H-benzimidazole

C12H16N2 (188.13134159999998)


   

tert-butyldimethylsilyl (s)-(-)-glycidy&

tert-butyldimethylsilyl (s)-(-)-glycidy&

C9H20O2Si (188.12325000000004)


   

(1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane

(1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane

C12H16N2 (188.13134159999998)


   
   

1H-Benzimidazole,1-butyl-7-methyl-(9CI)

1H-Benzimidazole,1-butyl-7-methyl-(9CI)

C12H16N2 (188.13134159999998)


   

1H-Benzimidazole,1,5-dimethyl-2-propyl-(9CI)

1H-Benzimidazole,1,5-dimethyl-2-propyl-(9CI)

C12H16N2 (188.13134159999998)


   

4-benzyloxy-3,3-dimethylbut-1-yne

4-benzyloxy-3,3-dimethylbut-1-yne

C13H16O (188.12010859999998)


   

3,3-Bis(methoxymethyl)heptane

3,3-Bis(methoxymethyl)heptane

C11H24O2 (188.1776204)


   

(α,β,β,2,3,5,6-2H7)Tyrosine

(α,β,β,2,3,5,6-2H7)Tyrosine

C9H4D7NO3 (188.117829846)


   
   

(S)-tert-butyl 1-(methylamino)propan-2-ylcarbamate

(S)-tert-butyl 1-(methylamino)propan-2-ylcarbamate

C9H20N2O2 (188.15247000000002)


   
   
   
   

2-methyl-2-phenylcyclohexan-1-one

2-methyl-2-phenylcyclohexan-1-one

C13H16O (188.12010859999998)


   

3-(4-TERT-BUTYL-PHENYL)-PROPENAL

3-(4-TERT-BUTYL-PHENYL)-PROPENAL

C13H16O (188.12010859999998)


   

Butane,1,1-[(1-methylethylidene)bis(oxy)]bis-

Butane,1,1-[(1-methylethylidene)bis(oxy)]bis-

C11H24O2 (188.1776204)


   

1-Octyl-2-thiourea

1-Octyl-2-thiourea

C9H20N2S (188.134712)


   

2-(2,7-Dimethyl-1H-indol-3-yl)ethanamine

2-(2,7-Dimethyl-1H-indol-3-yl)ethanamine

C12H16N2 (188.13134159999998)


   

(S)-2-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PROPIONALDEHYDE

(S)-2-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PROPIONALDEHYDE

C9H20O2Si (188.12325000000004)


   
   

1H-Benzimidazole,2-methyl-1-(2-methylpropyl)-(9CI)

1H-Benzimidazole,2-methyl-1-(2-methylpropyl)-(9CI)

C12H16N2 (188.13134159999998)


   

1H-Benzimidazole,2-methyl-1-(1-methylpropyl)-(9CI)

1H-Benzimidazole,2-methyl-1-(1-methylpropyl)-(9CI)

C12H16N2 (188.13134159999998)


   

1H-Benzimidazole,2-ethyl-1-propyl-(9CI)

1H-Benzimidazole,2-ethyl-1-propyl-(9CI)

C12H16N2 (188.13134159999998)


   

(R)-2-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PROPIONALDEHYDE

(R)-2-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PROPIONALDEHYDE

C9H20O2Si (188.12325000000004)


   
   
   

Propaneperoxoic acid,2,2-dimethyl-, 1,1-dimethylpropyl ester

Propaneperoxoic acid,2,2-dimethyl-, 1,1-dimethylpropyl ester

C10H20O3 (188.14123700000002)


   

1H-Benzimidazole,1-butyl-2-methyl-

1H-Benzimidazole,1-butyl-2-methyl-

C12H16N2 (188.13134159999998)


   

1H-Indole-3-methanamine,N,N,1-trimethyl-

1H-Indole-3-methanamine,N,N,1-trimethyl-

C12H16N2 (188.13134159999998)


   

7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

7-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one

C13H16O (188.12010859999998)


   

1-Phenyl-3-methoxy-1,5-hexadiene

((CHLOROMETHYL)PHENYLETHYL)TRIMETHOXYSILANE

C13H16O (188.12010859999998)


   
   

Cyclohexyldimethoxy(methyl)silane

Cyclohexyldimethoxy(methyl)silane

C9H20O2Si (188.12325000000004)


   
   

1-((TERT-BUTYLDIMETHYLSILYL)OXY)PROPAN-2-ONE

1-((TERT-BUTYLDIMETHYLSILYL)OXY)PROPAN-2-ONE

C9H20O2Si (188.12325000000004)


   

butyl(3-carboxypropyl)nitrosamine

butyl(3-carboxypropyl)nitrosamine

C8H16N2O3 (188.11608660000002)


D009676 - Noxae > D002273 - Carcinogens

   
   

Ethyl 3-hydroxy-2,2-dimethylhexanoate

Ethyl 3-hydroxy-2,2-dimethylhexanoate

C10H20O3 (188.14123700000002)


   
   

POLYETHYLENEGLYCOL 300 MONONONYL ETHER

POLYETHYLENEGLYCOL 300 MONONONYL ETHER

C11H24O2 (188.1776204)


   
   

5-(1,2-Dimethylprop-1-enyl)-1,2,3-trimethylbenzene

5-(1,2-Dimethylprop-1-enyl)-1,2,3-trimethylbenzene

C14H20 (188.15649200000001)


   

(2E)-1-(2,3,6-Trimethylphenyl)-2-buten-1-one

(2E)-1-(2,3,6-Trimethylphenyl)-2-buten-1-one

C13H16O (188.12010859999998)


   

(S)-6,6a,7,8,9,10-Hexahydro-5H-pyrido[1,2-a]quinoxaline

(S)-6,6a,7,8,9,10-Hexahydro-5H-pyrido[1,2-a]quinoxaline

C12H16N2 (188.13134159999998)


   

(R)-6,6a,7,8,9,10-Hexahydro-5H-pyrido[1,2-a]quinoxaline

(R)-6,6a,7,8,9,10-Hexahydro-5H-pyrido[1,2-a]quinoxaline

C12H16N2 (188.13134159999998)


   

trans-1-Butyl-4-(chloromethyl)cyclohexane

trans-1-Butyl-4-(chloromethyl)cyclohexane

C11H21Cl (188.1331696)


   

2,2-DIHYDROXY-2,2-DIISOBUTYLPROPANE

2,2-DIHYDROXY-2,2-DIISOBUTYLPROPANE

C11H24O2 (188.1776204)


   

[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid

[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid

C8H16N2O3 (188.11608660000002)


   

tert-butyldimethylsilyl glycidyl ether

tert-butyldimethylsilyl glycidyl ether

C9H20O2Si (188.12325000000004)


   

1H-Benzimidazole,2-butyl-1-methyl-(9CI)

1H-Benzimidazole,2-butyl-1-methyl-(9CI)

C12H16N2 (188.13134159999998)


   

1-(1,1-dimethyl-2,3-dihydroinden-5-yl)ethanone

1-(1,1-dimethyl-2,3-dihydroinden-5-yl)ethanone

C13H16O (188.12010859999998)


   

2,2,5,7-tetramethyl-3H-inden-1-one

2,2,5,7-tetramethyl-3H-inden-1-one

C13H16O (188.12010859999998)


   
   

1,4,6,7-tetramethyl-1,2,3,4-tetrahydronaphthalene

1,4,6,7-tetramethyl-1,2,3,4-tetrahydronaphthalene

C14H20 (188.15649200000001)


   

1,3-ditert-butylthiourea

1,3-ditert-butylthiourea

C9H20N2S (188.134712)


   

1,1-Ethyne-1,2-diyldi(2H5)benzene

1,1-Ethyne-1,2-diyldi(2H5)benzene

C14D10 (188.14101778)


   

1H-Benzimidazole,5,6-dimethyl-1-propyl-(9CI)

1H-Benzimidazole,5,6-dimethyl-1-propyl-(9CI)

C12H16N2 (188.13134159999998)


   

5-Butyl-2-methyl-1H-benzimidazole

5-Butyl-2-methyl-1H-benzimidazole

C12H16N2 (188.13134159999998)


   

3-Benzyl-3-azabicyclo[3.1.0]hexan-6-amine

3-Benzyl-3-azabicyclo[3.1.0]hexan-6-amine

C12H16N2 (188.13134159999998)


   

1H-Benzimidazole,1-(2-methylbutyl)-(9CI)

1H-Benzimidazole,1-(2-methylbutyl)-(9CI)

C12H16N2 (188.13134159999998)


   

1H-Benzimidazole,1-(3-methylbutyl)-(9CI)

1H-Benzimidazole,1-(3-methylbutyl)-(9CI)

C12H16N2 (188.13134159999998)


   
   

3-(N-Ethyl-m-toluidino)propiononitrile

3-(N-Ethyl-m-toluidino)propiononitrile

C12H16N2 (188.13134159999998)


   

Heptanedioic acid,1,7-dihydrazide

Heptanedioic acid,1,7-dihydrazide

C7H16N4O2 (188.12731960000002)


   
   

2,3,4,6,7,11b-Hexahydro-1H-pyrazino[2,1-a]isoquinoline

2,3,4,6,7,11b-Hexahydro-1H-pyrazino[2,1-a]isoquinoline

C12H16N2 (188.13134159999998)


   

1-Penten-3-one,4,4-dimethyl-1-phenyl-

1-Penten-3-one,4,4-dimethyl-1-phenyl-

C13H16O (188.12010859999998)


   

7-Quinolinamine,1,2-dihydro-2,2,4-trimethyl-

7-Quinolinamine,1,2-dihydro-2,2,4-trimethyl-

C12H16N2 (188.13134159999998)


   

1H-Benzimidazole,1-ethyl-2,5,6-trimethyl-(9CI)

1H-Benzimidazole,1-ethyl-2,5,6-trimethyl-(9CI)

C12H16N2 (188.13134159999998)


   

2-Ethyl-1-isopropyl-1H-benzimidazole

2-Ethyl-1-isopropyl-1H-benzimidazole

C12H16N2 (188.13134159999998)


   

9-ethoxynonan-1-ol

9-ethoxynonan-1-ol

C11H24O2 (188.1776204)


   

3-(tert-Butoxycarbonylamino)propanamide

3-(tert-Butoxycarbonylamino)propanamide

C8H16N2O3 (188.11608660000002)


   
   
   

(7R,8S)-7,8-diaminononanoic acid

(7R,8S)-7,8-diaminononanoic acid

C9H20N2O2 (188.15247000000002)


The isomer of 7,8-diaminononanoic acid having (R)- and (S)- configurations at C-7 and C-8, respectively; an intermediate in the biosynthetic pathway of biotin. As biotin is made exclusively in plants and microorganisms, both the chemical structure and biosynthetic enzymes of DAPA are targets for the development of herbicides and antimicrobial drugs.

   
   
   

4,4-Bipyridine, 1,1,4,4-tetrahydro-1,1-dimethyl-

4,4-Bipyridine, 1,1,4,4-tetrahydro-1,1-dimethyl-

C12H16N2 (188.13134159999998)


   

3-Hydroxy-4-methylnonanoic acid

3-Hydroxy-4-methylnonanoic acid

C10H20O3 (188.14123700000002)


   

1-(2,3,6-Trimethylphenyl)-3-buten-2-one

1-(2,3,6-Trimethylphenyl)-3-buten-2-one

C13H16O (188.12010859999998)


   
   

S-Octyl ethanethioate

S-Octyl ethanethioate

C10H20OS (188.123479)


A thioacetate ester of octane-1-thiol.

   
   
   
   

1-(1H-indol-3-yl)-N-methylpropan-2-amine

1-(1H-indol-3-yl)-N-methylpropan-2-amine

C12H16N2 (188.13134159999998)


   
   
   

1-[1-(Isobutoxy)ethoxy]-3-methylbutane

1-[1-(Isobutoxy)ethoxy]-3-methylbutane

C11H24O2 (188.1776204)


   

1,2-Dimethyl-1H-indole-3-ethylamine

1,2-Dimethyl-1H-indole-3-ethylamine

C12H16N2 (188.13134159999998)


   

Hexanoic acid, trimethylsilyl ester

Hexanoic acid, trimethylsilyl ester

C9H20O2Si (188.12325000000004)


   

2-[(2-Amino-3-methylbutanoyl)amino]propanoic acid

2-[(2-Amino-3-methylbutanoyl)amino]propanoic acid

C8H16N2O3 (188.11608660000002)


   

1-(1H-indol-2-yl)-2-methylpropan-2-amine

1-(1H-indol-2-yl)-2-methylpropan-2-amine

C12H16N2 (188.13134159999998)


   

Silane, 1,3-propanediylbis(trimethyl-

Silane, 1,3-propanediylbis(trimethyl-

C9H24Si2 (188.14164639999998)


   

1-(1-Butoxyethoxy)-3-methylbutane

1-(1-Butoxyethoxy)-3-methylbutane

C11H24O2 (188.1776204)


   
   
   

Silane, trimethyl[(1-methylhexyl)oxy]-

Silane, trimethyl[(1-methylhexyl)oxy]-

C10H24OSi (188.15963339999996)


   

Pentane, 2-methyl-4-keto-2-trimethylsiloxy-

Pentane, 2-methyl-4-keto-2-trimethylsiloxy-

C9H20O2Si (188.12325000000004)


   
   

4-[(Trimethylsilyl)oxy]cyclohexanol

4-[(Trimethylsilyl)oxy]cyclohexanol

C9H20O2Si (188.12325000000004)


   

Decyloxy-methanol

Decyloxy-methanol

C11H24O2 (188.1776204)


   

[3-(1,3,2-Dioxaborolan-2-yloxy)propyl]guanidine

[3-(1,3,2-Dioxaborolan-2-yloxy)propyl]guanidine

C6H15BN3O3+ (188.120641)


   

fenproporex

fenproporex

C12H16N2 (188.13134159999998)


C78272 - Agent Affecting Nervous System > C29728 - Anorexiant

   

688-82-4

Heptanal, diethyl acetal

C11H24O2 (188.1776204)


   

2S-hydroxy-decanoic acid

(2S)-2-Hydroxydecanoic acid

C10H20O3 (188.14123700000002)


   

(9R)-9-hydroxydecanoic acid

(9R)-9-hydroxydecanoic acid

C10H20O3 (188.14123700000002)


An (omega-1)-hydroxy fatty acid that is capric acid in which the 9-pro-R hydrogen is replaced by a hydroxy group.

   

1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl

1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl

C13H16O (188.12010859999998)


1-H-inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl belongs to the family of Indanones. These are compounds containing an indane ring bearing a ketone group.

   

delta-N-Methylarginine

2-amino-5-(N-methylcarbamimidamido)pentanoic acid

C7H16N4O2 (188.12731960000002)


   
   

(2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoate

(2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoate

C8H16N2O3 (188.11608660000002)


   
   
   

3-Methylarginine

3-Methylarginine

C7H16N4O2 (188.12731960000002)


A non-proteinogenic alpha-amino acid that is arginine carrying a methyl group at position 3. It is a rare amino acid produced by Pseudomonas syringae syringae, with a strong toxicity against Pseudomonas syringae glycinea, two soybean pathogens.

   

(3S)-6-acetamido-3-aminohexanoate

(3S)-6-acetamido-3-aminohexanoate

C8H16N2O3 (188.11608660000002)


   

{[(2S)-2-azaniumyl-4-methylpentanoyl]amino}acetate

{[(2S)-2-azaniumyl-4-methylpentanoyl]amino}acetate

C8H16N2O3 (188.11608660000002)


   

(3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid

(3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid

C10H20O3 (188.14123700000002)


An optically active form of 6-hydroxy-3,7-dimethyloctanoic acid, having (3R,6S)-configuration.

   

Propyl 2-(1-hydroxyethyl)pentanoate

Propyl 2-(1-hydroxyethyl)pentanoate

C10H20O3 (188.14123700000002)


   

Benzeneacetaldehyde, a-(2-methylbutylidene)-

Benzeneacetaldehyde, a-(2-methylbutylidene)-

C13H16O (188.12010859999998)


   

(2S)-2-Amino-5-(diaminomethylideneamino)-4-methylpentanoic acid

(2S)-2-Amino-5-(diaminomethylideneamino)-4-methylpentanoic acid

C7H16N4O2 (188.12731960000002)


   
   

(2S)-2-acetamido-6-ammoniohexanoate

(2S)-2-acetamido-6-ammoniohexanoate

C8H16N2O3 (188.11608660000002)


   

(2S)-2-ammonio-5-(N-methylcarbamimidamido)pentanoate

(2S)-2-ammonio-5-(N-methylcarbamimidamido)pentanoate

C7H16N4O2 (188.12731960000002)


   
   

5-methyl-L-arginine

5-methyl-L-arginine

C7H16N4O2 (188.12731960000002)


A non-proteinogenic L-alpha-amino acid that is L-arginine substituted by a methyl group at position 5.

   
   
   
   

(-)-Selegiline(1+)

(-)-Selegiline(1+)

C13H18N+ (188.1439168)


   

(3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid

(3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid

C10H20O3 (188.14123700000002)


An optically active form of 6-hydroxy-3,7-dimethyloctanoic acid, having (3S,6R)-configuration.

   
   

2-Methylpentanoic acid trimethylsilyl ester

2-Methylpentanoic acid trimethylsilyl ester

C9H20O2Si (188.12325000000004)


   

4-Methylvaleric acid, trimethylsilyl ester

4-Methylvaleric acid, trimethylsilyl ester

C9H20O2Si (188.12325000000004)


   
   

(1-Isopropyl-2-methylpropoxy)trimethylsilane

(1-Isopropyl-2-methylpropoxy)trimethylsilane

C10H24OSi (188.15963339999996)


   
   

Isovaleraldehyde dipropyl acetal

Isovaleraldehyde dipropyl acetal

C11H24O2 (188.1776204)


   

Butanal butyl isopropyl acetal

Butanal butyl isopropyl acetal

C11H24O2 (188.1776204)


   

Acetaldehyde butylpentyl acetal

Acetaldehyde butylpentyl acetal

C11H24O2 (188.1776204)


   

2,3-Dimethyl-3-pentanol, TMS derivative

2,3-Dimethyl-3-pentanol, TMS derivative

C10H24OSi (188.15963339999996)


   

4,4-Dimethyl-2-pentanol, TMS derivative

4,4-Dimethyl-2-pentanol, TMS derivative

C10H24OSi (188.15963339999996)


   

2,2-Dimethyl-3-pentanol, TMS derivative

2,2-Dimethyl-3-pentanol, TMS derivative

C10H24OSi (188.15963339999996)


   
   

Propanal isopentyl isopropyl acetal

Propanal isopentyl isopropyl acetal

C11H24O2 (188.1776204)


   

Ethyl (2R,3R,4S)-2,4-dimethyl-3-hydroxyhexanoate

Ethyl (2R,3R,4S)-2,4-dimethyl-3-hydroxyhexanoate

C10H20O3 (188.14123700000002)


   

1-Butylbicyclo(3.2.2)nona-3,6,8-trien-2-one

1-Butylbicyclo(3.2.2)nona-3,6,8-trien-2-one

C13H16O (188.12010859999998)


   

Dimethyltryptamine

N,N-DIMETHYLTRYPTAMINE

C12H16N2 (188.13134159999998)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens A tryptamine derivative having two N-methyl substituents on the side-chain.

   

H-Gly-Leu-OH

Glycyl-L-leucine

C8H16N2O3 (188.11608660000002)


Glycyl-l-leucine is a dipeptide that can be a common substrate for?glycyl-leucine?dipeptidase.

   

Tilarginine

Tilarginine

C7H16N4O2 (188.12731960000002)


C471 - Enzyme Inhibitor > C29574 - Nitric Oxide Synthase Inhibitor D004791 - Enzyme Inhibitors

   

N6,N6,N6-Trimethyl-L-lysine

N6,N6,N6-Trimethyl-L-lysine

C9H20N2O2 (188.15247000000002)


D050258 - Mitosis Modulators > D008934 - Mitogens

   

6-acetamido-3-aminohexanoic acid

6-acetamido-3-aminohexanoic acid

C8H16N2O3 (188.11608660000002)


A member of the class of beta-amino acids that is the N(6)-acetyl derivative of 3,6-diaminohexanoic acid.

   

(S)-6-acetamido-3-aminohexanoic acid

(3S)-6-Acetamido-3-aminohexanoic acid

C8H16N2O3 (188.11608660000002)


A 6-acetamido-3-aminohexanoic acid in which the chiral centre at position 3 has S-configuration.

   

3-Hydroxydecanoic acid

3-Hydroxydecanoic acid

C10H20O3 (188.14123700000002)


A medium-chain fatty acid that is decanoic acid substituted at position 3 by a hydroxy group. 3-Hydroxycapric acid is an inhibitor for mitotic progression.

   
   

(S)-6-acetamido-3-aminohexanoic acid zwitterion

(S)-6-acetamido-3-aminohexanoic acid zwitterion

C8H16N2O3 (188.11608660000002)


A 6-acetamido-3-aminohexanoic acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of (3S)-6-acetamido-3-aminohexanoic acid; major species at pH 7.3.

   
   
   
   

1,2,3,4,6,7,8,9-Octahydrophenazine

1,2,3,4,6,7,8,9-Octahydrophenazine

C12H16N2 (188.13134159999998)


   

heptanal glyceryl acetal

2-Hexyl-1,3-dioxolane-4-methanol

C10H20O3 (188.14123700000002)


   

2-Benzylidenehexanal

2-(Phenylmethylene)hexanal

C13H16O (188.12010859999998)


   

5-HYDROXYDECANOIC ACID

5-HYDROXYDECANOIC ACID

C10H20O3 (188.14123700000002)


D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents

   
   

1-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol

1-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)cyclohexan-1-ol

C10H20O3 (188.14123700000002)


   
   

4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol

4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol

C10H20O3 (188.14123700000002)


   

N(2)-acetyl-L-lysine zwitterion

N(2)-acetyl-L-lysine zwitterion

C8H16N2O3 (188.11608660000002)


An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of N(2)-acetyl-L-lysine; major species at pH 7.3.

   
   

N(5)-methyl-L-arginine

N(5)-methyl-L-arginine

C7H16N4O2 (188.12731960000002)


A non-proteinogenic L-alpha-amino acid that is L-arginine substituted by a methyl group at N(5)-position.

   
   

Decanoic acid, 9-hydroxy-, (S)-

Decanoic acid, 9-hydroxy-, (S)-

C10H20O3 (188.14123700000002)


   

N(omega)-methyl-L-arginine zwitterion

N(omega)-methyl-L-arginine zwitterion

C7H16N4O2 (188.12731960000002)


The zwitterion obtained from N(omega)-methyl-L-arginine by transfer of a proton from the carboxylic acid group to the alpha-amino group.

   

10-hydroxycapric acid

10-hydroxycapric acid

C10H20O3 (188.14123700000002)


A 10-carbon, omega-hydroxy fatty acid, shown to be the preferred hydroxylation product (together with the 9-OH isomer) of capric acid in biosystems, and used as a standard in lipid assays; reported to have cytotoxic effects.

   

N-isopropyl-L-glutamine

N-isopropyl-L-glutamine

C8H16N2O3 (188.11608660000002)


A N(5)-alkylglutamine where the alkyl group is isopropyl.

   

glycyl-L-leucine zwitterion

glycyl-L-leucine zwitterion

C8H16N2O3 (188.11608660000002)


A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Leu. Major species at pH 7.3.

   

N(6)-acetyl-L-lysine zwitterion

N(6)-acetyl-L-lysine zwitterion

C8H16N2O3 (188.11608660000002)


An amino acid zwitterion obtained via transfer of a proton from the carboxy to the amino group of N(6)-acetyl-L-lysine; major species at pH 7.3.

   

Ala-Val zwitterion

Ala-Val zwitterion

C8H16N2O3 (188.11608660000002)


A dipeptide zwitterion resulting from the transfer of a proton from the carboxy to the amino group of Ala-Val; major species at pH 7.3.

   

N(Omega)-methyl-L-arginine

N(Omega)-methyl-L-arginine

C7H16N4O2 (188.12731960000002)


A L-arginine derivative with a N(omega)-methyl substituent.

   

Ile-Gly zwitterion

Ile-Gly zwitterion

C8H16N2O3 (188.11608660000002)


A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ile-Gly. Major species at pH 7.3.

   

Leu-Gly zwitterion

Leu-Gly zwitterion

C8H16N2O3 (188.11608660000002)


A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Leu-Gly. Major species at pH 7.3.

   

(3R)-3-Methyl-L-arginine

(2S,3R)-2-amino-5-(diaminomethylideneamino)-3-methylpentanoic acid

C7H16N4O2 (188.12731960000002)