Exact Mass: 202.1429688
Exact Mass Matches: 202.1429688
Found 500 metabolites which its exact mass value is equals to given mass value 202.1429688,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Sebacic acid
Sebacic acid is a saturated, straight-chain naturally occurring dicarboxylic acid with 10 carbon atoms. Sebacic acid is a normal urinary acid. In patients with multiple acyl-CoA-dehydrogenase deficiency (MADD), also known as glutaric aciduria type II (GAII), a group of metabolic disorders due to deficiency of either electron transfer flavoprotein or electron transfer flavoprotein ubiquinone oxidoreductase, biochemical data shows an increase in urine sebacic acid excretion. Sebacic acid is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency, which are inborn errors of metabolism. Sebacic acid is a white flake or powdered crystal slightly soluble in water that has been proposed as an alternative energy substrate in total parenteral nutrition. Sebacic Acid was named from the Latin sebaceus (tallow candle) or sebum (tallow) in reference to its use in the manufacture of candles. Sebacic acid and its derivatives such as azelaic acid have a variety of industrial uses as plasticizers, lubricants, hydraulic fluids, cosmetics, candles, etc. It is used in the synthesis of polyamide and alkyd resins. It is also used as an intermediate for aromatics, antiseptics and painting materials (PMID: 10556649, 1738216, 8442769, 12706375). Sebacic acid is a saturated, straight-chain naturally occurring dicarboxylic acid with 10 carbon atoms. Sebacic acid is a normal urinary acid. In patients with multiple acyl-CoA-dehydrogenase deficiency (MADD) or glutaric aciduria type II (GAII) are a group of metabolic disorders due to deficiency of either electron transfer flavoprotein or electron transfer flavoprotein ubiquinone oxidoreductase, biochemical data shows an increase in urine sebacic acid excretion. CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4109; ORIGINAL_PRECURSOR_SCAN_NO 4104 CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4132; ORIGINAL_PRECURSOR_SCAN_NO 4130 CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4118; ORIGINAL_PRECURSOR_SCAN_NO 4114 CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4132; ORIGINAL_PRECURSOR_SCAN_NO 4129 CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4099; ORIGINAL_PRECURSOR_SCAN_NO 4095 CONFIDENCE standard compound; INTERNAL_ID 671; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4127; ORIGINAL_PRECURSOR_SCAN_NO 4123 Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID S017 Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency.
Asymmetric dimethylarginine
Asymmetric dimethylarginine (ADMA) is a naturally occurring chemical found in blood plasma. It is a metabolic by-product of continual protein modification processes in the cytoplasm of all human cells. It is closely related to L-arginine, a conditionally-essential amino acid. ADMA interferes with L-arginine in the production of nitric oxide, a key chemical to endothelial and hence cardiovascular health. Asymmetric dimethylarginine is created in protein methylation, a common mechanism of post-translational protein modification. This reaction is catalyzed by an enzyme set called S-adenosylmethionine protein N-methyltransferases (protein methylases I and II). The methyl groups transferred to create ADMA are derived from the methyl group donor S-adenosylmethionine, an intermediate in the metabolism of homocysteine. (Homocysteine is an important blood chemical, because it is also a marker of cardiovascular disease). After synthesis, ADMA migrates into the extracellular space and thence into blood plasma. Asymmetric dimethylarginine is measured using high performance liquid chromatography. ADMA has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Isolated from broad bean seeds (Vicia faba). NG,NG-Dimethyl-L-arginine is found in many foods, some of which are yellow wax bean, spinach, green zucchini, and white cabbage. D004791 - Enzyme Inhibitors Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
(-)-alpha-Curcumene
1-[(2R)-hex-5-en-2-yl]-4-methylbenzene is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. (-)-alpha-Curcumene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
2-Pentyl-3-phenyl-2-propenal
2-Pentyl-3-phenyl-2-propenal, also known as alpha-amylcinnamaldehyde or pentylcinnamaldehyde, is a member of the class of compounds known as cinnamaldehydes. Cinnamaldehydes are organic aromatic compounds containing a cinnamaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal. 2-Pentyl-3-phenyl-2-propenal is practically insoluble in water. 2-Pentyl-3-phenyl-2-propenal is a flavouring agent and has a sweet, floral, and fruity taste. It is a non-carcinogenic (not listed by IARC) potentially toxic compound.
Symmetric dimethylarginine
Symmetric dimethylarginine, also known as N,n-dimethylarginine or SDMA, is a L-arginine derivative having two methyl groups at the N(omega)- and N(omega)-positions It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a member of guanidines, a non-proteinogenic L-alpha-amino acid, a L-arginine derivative and a dimethylarginine. It is a tautomer of a N(omega),N(omega)-dimethyl-L-arginine zwitterion. It belongs to the class of organic compounds known as arginine and derivatives. Arginine and derivatives are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Symmetric dimethylarginine is a drug. Outside of the human body, symmetric dimethylarginine has been detected, but not quantified in pulses. Symmetric dimethylarginine (SDMA) is an endogenously produced inhibitor of nitric oxide synthase (EC-Number 1.14.13.39). However, elevated levels of Symmetric dimethylarginine occur in patients with vascular disease, especially suffering end-stage renal disease. Isolated from broad bean (Vicia faba) seed proteins SDMA (Symmetric dimethylarginine) is an endogenous inhibitor of nitric oxide (NO) synthase activity. SDMA, a novel kidney biomarker, permits earlier diagnosis of kidney disease than traditional creatinine testing.
Alanylleucine
Alanylleucine is a dipeptide composed of alanine 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. L-Alanyl-L-leucine is an endogenous metabolite.
Alanylisoleucine
Alanylisoleucine is a dipeptide composed of alanine 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.
Leucylalanine
Leucylalanine is a dipeptide composed of leucine 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. L-Leucyl-L-alanine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=7298-84-2 (retrieved 2024-07-15) (CAS RN: 7298-84-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). L-Leucyl-L-alanine is a simple dipeptide composed of L-leucine and L-alanine[1]. L-Leucyl-L-alanine is a simple dipeptide composed of L-leucine and L-alanine[1].
(E)-Calamene
Calamene is a metabolite of plant Turnera diffusa. Turnera diffusa (Damiana, Mexican holly, Old Womans Broom) is a small shrub of the family Tuneraceae. T. diffusa is native to both Central and South America and now commercially cultivated in Bolivia and Mexico. The leaf includes volatile oils (1,8-cineole, p-cymene, alpha- and beta-pinene, thymol, alpha-copaene, and calamene); luteolin; tannins, flavonoids (arbutin, acacetin, apigenin and pinocembrin), beta-sitosterol, damianin, and the cyanogenic glycoside tetraphyllin B. (www.globinmed.com) (e)-calamene is also known as calamenene or 1,6-dimethyl-4-isopropyltetralin. (e)-calamene can be found in a number of food items such as guava, lovage, summer savory, and rosemary, which makes (e)-calamene a potential biomarker for the consumption of these food products (e)-calamene can be found primarily in urine.
alpha-Curcumene
alpha-Curcumene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units
beta-Spathulene
Constituent of the the oil of Schinus molle (California peppertree). beta-Spathulene is found in herbs and spices, beverages, and fruits. beta-Spathulene is found in beverages. beta-Spathulene is a constituent of the the oil of Schinus molle (California peppertree).
beta-Vatirenene
Beta-vatirenene belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units.
Dictagymnin
Dictagymnin is found in herbs and spices. Dictagymnin is isolated from star anise oil. Isolated from star anise oil. Dictagymnin is found in herbs and spices.
3-hydroxyundecanoic acid
3-Hydroxyundecanoic acid medium-chain hydroxy is a fatty acid. In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
1,4,9-Cadinatriene
1,4,9-Cadinatriene is found in herbs and spices. 1,4,9-Cadinatriene is a constituent of Acorus calamus (sweet flag). Constituent of Acorus calamus (sweet flag). 1,4,9-Cadinatriene is found in herbs and spices and root vegetables.
Panaquinquecol 5
Panaquinquecol 5 is found in tea. Panaquinquecol 5 is isolated from ginseng. Isolated from ginseng. Panaquinquecol 5 is found in tea.
2-Hydroxyundecanoate
2-Hydroxyundecanoate belongs to the family of Fatty Alcohols. These are aliphatic alcohols consisting of a chain of 8 to 22 carbon atoms.
(±)-Anisoxide
(±)-Anisoxide is found in fruits. (±)-Anisoxide is isolated from oil of star anise (Illicium verum) after thermal fractionatio
3-Methylazelaic acid
3-Methylazelaic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl
R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl is found in fats and oils. R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl is isolated from roots of Valeriana officinalis (valerian Isolated from roots of Valeriana officinalis (valerian). R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl is found in tea, fats and oils, and herbs and spices.
Feniculin
Isolated from fennel and Chinese star anise oils. Feniculin is found in fennel, star anise, and herbs and spices. Feniculin is found in fennel. Feniculin is isolated from fennel and Chinese star anise oil
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene
(1alpha,6alpha,7alphaH)-2,4(15)-Copadiene is found in root vegetables. (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene is a constituent of the essential oil of Cyperus rotundus (nutgrass). Constituent of the essential oil of Cyperus rotundus (nutgrass). (1alpha,6alpha,7alphaH)-2,4(15)-Copadiene is found in root vegetables.
Isoleucyl-Alanine
Isoleucyl-Alanine is a dipeptide composed of isoleucine and alanine. 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.
Oxalic acid dibutyl ester
Oxalic acid dibutyl ester is found in nuts. Oxalic acid dibutyl ester is a constituent of Juglans regia (walnut) and Panax ginseng (ginseng). Constituent of Juglans regia (walnut) and Panax ginseng (ginseng). Oxalic acid dibutyl ester is found in tea and nuts.
(6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene
(6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene is a constituent of Tolu balsam (Myroxylon balsamum var. balsamum). (6alpha,7alpha,10alpha)-1(5),3-Aromadendradiene is a flavouring agent Constituent of Tolu balsam (Myroxylon balsamum variety balsamum). Flavouring agent
3-Hydroxynonyl acetate
3-Hydroxynonyl acetate is a flavouring ingredient. Flavouring ingredient
2-Ethylsuberic acid
2-Ethylsuberic acid (CAS Number 3971-33-3) is an ethyl ester of suberic acid. Suberic acid, also octanedioic acid, is a dicarboxylic acid, with formula C8H14O4. It is a colorless crystalline solid used in drug syntheses and plastics manufacture.
Heptylmalonic acid
Heptylmalonic acid is a dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2. Malonic acid is a dicarboxylic acid. The ionized form of malonic acid, as well as its esters and salts, are known as malonates.
beta-Vetivenene
beta-Vetivenene belongs to the family of Bicyclic Monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.
Calamenene
Calamenene belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
N-Lactoylisoleucine
N-Lactoylisoleucine is a lactoyl derivative of phenylalanine. N-Lactoyl-amino acids are ubiquitous pseudodipeptides of lactic acid and amino acids that are rapidly formed by reverse proteolysis. A protease, cytosolic nonspecific dipeptidase 2 (CNDP2), catalyzes their formation. The plasma levels of these metabolites strongly correlate with plasma levels of lactate and amino acid (PMID: 25964343).
N-Acetylisoputreanine
N-acetylisoputreanine is classified as a gamma amino acid or a Gamma amino acid derivative. Gamma amino acids are amino acids having a (-NH2) group attached to the gamma carbon atom. N-acetylisoputreanine is considered to be a slightly soluble (in water) and a weak acidic compound. N-acetylisoputreanine can be found in humans.
2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid
2-Hydroxypropyl octanoate
D001697 - Biomedical and Dental Materials
Dimethylarginine
Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
(2S)-5-[Carbamimidoyl(methyl)amino]-2-(methylamino)pentanoic acid
(2S)-5-(Diaminomethylideneamino)-4-methyl-2-(methylamino)pentanoic acid
Cuparene
Cuparene is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, cuparene is considered to be an isoprenoid lipid molecule. Cuparene can be found in lovage and pepper (spice), which makes cuparene a potential biomarker for the consumption of these food products.
1-S-cis-Calamenene
(E)-Calamene, also known as calamenene, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (E)-Calamene is possibly neutral. (E)-Calamene is found in highest concentrations in allspices, common oregano, and rosemaries and in lower concentrations in lovages. (E)-Calamene has also been detected in cloves, guava, summer savories, sweet basils, and pepper (spice). This could make (E)-calamene a potential biomarker for the consumption of these foods. Calamene is a metabolite of plant Turnera diffusa (Damiana, Mexican holly, Old Womans Broom), a small shrub of the family Tuneraceae. T. diffusa is native to both Central and South America and now commercially cultivated in Bolivia and Mexico. 1-s-cis-calamenene, also known as (7r,10r)-calamenene, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. 1-s-cis-calamenene is a herb and spice tasting compound found in rosemary, which makes 1-s-cis-calamenene a potential biomarker for the consumption of this food product.
Ipomic acid
Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency.
(3E,5E,8E)-3,7,11-Trimethyldodeca-1,3,5,8,10-pentaene
[1R-(1alpha,2beta,3alpha,4alpha)]-6-(hydroxymethyl)-3-(1-methylethyl)-5-Cyclohexene-1,2,4-triol
(4aR-trans)-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-1-methylene-7-(1-methylethylidene)naphthalene
Dehydrochamecynenol
Chamecynone
1,3,7(11),8-Elematetraene
Isochamaecynone
(3E,5E,8Z)-3,7,11-Trimethyldodeca-1,3,5,8,10-pentaene
(Z)-form-8-Tetradecene-11,13-diyn-2-one,|(Z)-tetradeca-8-en-11,13-diyn-2-one|tetradec-8c-ene-11,13-diyn-2-one|tetradeca-8-en-11,13-diyene-2-one|tetradeca-8Z-ene-11,13-diyn-2-one
(all-E)-form-4,6,10,12-Tetradecatetraen-8-yn-2-ol,|4,6,10,12-Tetradecatetraen-8-yn-2-ol,
(5S,7S,8S,9R)-7,8-dihydroxy-Delta4,11dihyronepeta-1,3-diol|jatamanin J
(+)-4-methyl-9-methylene-bicyclo[8.2.1]trideca-1(13),4-diene|(+)-isozierene
(4S,4aS,8aS)-8a-methyl-5-methylene-4-(1-methylvinyl)-1,2,3,4,4a,5,6,8a-octahydro-naphthalene|(5S,6S,10S)-gorgona-1,4(15),11-triene
beta-Isovetivenen|beta-Vetispiren|beta-Vetispirene
(1S,6R,7S)-aromadendra-4,9-diene|1,1,4,7-tetramethyl-1a,2,4a,5,6,7b-hexahydro-1H-cyclopropa[e]azulene
(3S,4S,5S,7S)-3-hydroxymethyl-7-methyl-1,6-dioxaspiro[4.5]-decan-4-ol|okaspirodiol
(+)-(5S*,6S*,7S*)-aromadendra-1(10),4(15)-diene|1,1,4-trimethyl-7-methylene-1a,2,3,5,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene
Tetradeca-6,12-dien-8,10-diin-3-ol|tetradeca-6t,12t-diene-8,10-diyn-3-ol
(1beta,5beta)-13-Nor-2,4(15)-eudesmadien-11-yn-1-ol
(S)-2-pentyl (R)-3-hydroxyhexanoate|(S)-2-pentyl (R)-3-hydroxyhexanoate
9-spiro(cyclopropa)-2,4,4,8-tetramethylbicyclo[4.3.0]nona-1,5-diene|teredenene
9-spiro(cyclopropa)-4,4,8-trimethyl-2-methylenbicyclo[4.3.0]non-1(6)-ene|terebanene
4alpha-(3,5-dihydroxy-hexyl)-3alpha-methyl-2-oxetanone
8-carboxy-7,9-dihydroxy-trans-menthane|zantholic acid
(2E,4E,9Z)-2,4,9-Pentadecatrien-6-yne|Pentadeca-2t,4t,9c-trien-6-in|pentadeca-2t,4t,9c-trien-6-yne
1,8,9,10-Tetradehydroaristolan|aristol-1(10),8-diene
Pentadeca-2t,4t,8t-trien-6-in|pentadeca-2t,4t,8t-trien-6-yne
alpha-Isovetivenen|beta-Isovetivenen|beta-Vetispiren
Sebacic acid
An alpha,omega-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency.
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid
NG,NG,dimethylarginine
Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
C11H22O3_1-(2-Hydroxyethyl)-2,2,6-trimethyl-1,4-cyclohexanediol
Ala-ile
A dipeptide formed from L-alanyl and L-isoleucine residues.
Ala-leu
A dipeptide formed from L-alanyl and L-leucine residues.
N,N-Dimethylarginine
D004791 - Enzyme Inhibitors Asymmetric dimethylarginine is an endogenous inhibitor of nitric oxide synthase (NOS), and functions as a marker of endothelial dysfunction in a number of pathological states.
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
diisopropylsuccinate
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1051
Asymmetric dimethylarginine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YDGMGEXADBMOMJ_STSL_0134_Asymmetric dimethylarginine_0500fmol_180430_S2_LC02_MS02_41; 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.
Sebacate
Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency.
2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoic acid_major
H-Leu-Ala-OH
L-Leucyl-L-alanine is a simple dipeptide composed of L-leucine and L-alanine[1]. L-Leucyl-L-alanine is a simple dipeptide composed of L-leucine and L-alanine[1].
Symmetric dimethylarginine
SDMA (Symmetric dimethylarginine) is an endogenous inhibitor of nitric oxide (NO) synthase activity. SDMA, a novel kidney biomarker, permits earlier diagnosis of kidney disease than traditional creatinine testing.
Ile-ala
A dipeptide formed from L-isoleucine and L-alanine residues.
R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl
Heptylmalonic acid
A dicarboxylic acid that is malonic acid substituted with a heptyl group at position C-2.
2-[5-(2-Hydroxypropyl)tetrahydro-2-furanyl]propanoic acid
alpha-Curcumene
Alpha-curcumene is also known as α-curcumene. Alpha-curcumene is a herb tasting compound and can be found in a number of food items such as pepper (spice), lovage, wild carrot, and rosemary, which makes alpha-curcumene a potential biomarker for the consumption of these food products.
Silane, [(1-ethoxy-2,3-dimethylcyclopropyl)oxy]trimethyl- (9CI)
C10H22O2Si (202.13889920000003)
7-(1,1-dimethylethyl)-3,4-dihydro-1(2H)-naphthalenone
(2-AMINO-ETHYL)-PROPYL-CARBAMIC ACID TERT-BUTYL ESTER
3-[4-(2-HYDROXY-ETHYL)-PIPERAZIN-1-YL]-PROPIONIC ACID
11-HYDROXYUNDECANOIC ACID
An omega-hydroxy fatty acid that is undecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group.
[8-(hydroxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
2-[(4S)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol
1-Piperazinecarboxylicacid, 4-(2-hydroxyethyl)-, ethyl ester
3-Azabicyclo[3.1.0]hexane-1-methanamine, 3-(phenylmethyl)-
Carbamic acid, [2-(propylamino)ethyl]-, 1,1-dimethylethyl ester (9CI)
tert-butyl 3-(aminomethyl)-3-hydroxyazetidine-1-carboxylate
trans-3-Amino-4-hydroxy-1-pyrrolidinecarboxylicacidtert-butylester
trans-3-Hydroxy-1-propenylboronic acid pinacol ester
Carbamic acid, [2-[(1-methylethyl)amino]ethyl]-, 1,1-dimethylethyl ester (9CI)
(1E)-1-tert-Butoxy-1-(trimethylsilyloxy)propene
C10H22O2Si (202.13889920000003)
(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-en-1-ol
C10H22O2Si (202.13889920000003)
1H-Benzimidazole,2-(1,1-dimethylethyl)-1-ethyl-(9CI)
1,1,4,4,6-PENTAMETHYL-1,2,3,4-TETRAHYDRONAPHTHALENE
<(1-benzyl-1,2,3,6-tetrahydro-4-pyridyl)methyl>amine
dicarbine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant D009676 - Noxae > D013723 - Teratogens
Carbamic acid, [2-(acetylamino)ethyl]-, 1,1-dimethylethyl ester (9CI)
3-(3-piperidinyl)[1,2,4]triazolo[4,3-a]pyridine(SALTDATA: FREE)
TERT-BUTYL 3-AMINO-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
1-Hexyl-3-methylimidazolium Chloride
C10H19ClN2 (202.12366839999999)
tert-Butyl (1-amino-2-methyl-1-oxopropan-2-yl)carbamate
N-methyl-1-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanamine
tert-butyl (3S,4S)-3-amino-4-hydroxypyrrolidine-1-carboxylate
3-Benzyl-N-methyl-3-azabicyclo[3.1.0]hexan-6-amine
TERT-BUTYL (2-(DIMETHYLAMINO)-2-OXOETHYL)CARBAMATE
3-[(tert-butyldimethylsilyl)oxy]cyclobutan-1-ol
C10H22O2Si (202.13889920000003)
N-METHYL-N-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)BENZYL]AMINE
(2R)-2-[(ethoxycarbonyl)methyl]-4-methylpentanoic acid
2-Methyl-2-propanyl [(3R,4R)-4-hydroxy-3-pyrrolidinyl]carbamate
2-Methyl-2-Propanyl [2-Methyl-1-(Methylamino)-2-Propanyl]Carbamate
(1R*,2S*)-2-Isopropenyl-8-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
(S)-(-)-1-TRIMETHYLSILYLAMINO-2-METHOXYMETHYLPYRROLIDINE, TECHN., 80
C9H22N2OSi (202.15013219999997)
1H-Indole-3-methanamine,a-methyl-N-(1-methylethyl)-
10-methyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
Pivanex
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer
Silane, [(4-methoxycyclohexyl)oxy]trimethyl-
C10H22O2Si (202.13889920000003)
[(1S)-4-(1-Aminobutylideneamino)-1-carboxybutyl]azanium
C9H20N3O2+ (202.15554400000002)
CORFREE M1
Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency. Decanedioic acid, a normal urinary acid, is found to be associated with carnitine-acylcarnitine translocase deficiency and medium chain acyl-CoA dehydrogenase deficiency.
(±)-Anisoxide
(±)-Anisoxide is found in fruits. (±)-Anisoxide is isolated from oil of star anise (Illicium verum) after thermal fractionatio
(2S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-4-methylpentanoate
(2S)-2-azaniumyl-5-(N,N-dimethylcarbamimidamido)pentanoate
(3S,4S)-3-hydroxy-4-methyldecanoic acid
A 3-hydroxy monocarboxylic acid that is 3-hydroxydecanoic acid substituted by a methyl group at position 4 (the 3S,4S stereoisomer).
[Amino-[(4-carboxy-4-oxobutyl)amino]methylidene]-dimethylazanium
C8H16N3O3+ (202.11916060000001)
3,3A,8A-Trimethyl-2,3,3A,8A-tetrahydropyrrolo(2,3-B)indole
Butyl-(butyl-deuterio-methylsilyl)-deuterio-methylsilane
N(omega),N(omega)-dimethyl-L-arginine
A L-arginine derivative having two methyl groups at the N(omega)- and N(omega)-positions
2-ethyloctanedioic acid
An alpha,omega-dicarboxylic acid that is suberic (octanedioic) acid bearing an ethyl substituent at position 2.
2-Amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid
(10R)-10-hydroxyundecanoic acid
An (omega-1)-hydroxy fatty acid that is undecanoic acid in which the 10-pro-R hydrogen is replaced by a hydroxy group.
Ala-Leu zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Leu.
N(Omega),N(omega)-dimethyl-L-arginine
A L-arginine derivative having two methyl groups both attached to the primary amino moiety of the guanidino group.
N(omega),N(omega)-dimethyl-L-arginine zwitterion
An amino acid zwitterion obtained from N(omega),N(omega)-dimethyl-L-arginine by transfer of a proton from the carboxylic acid group to the alpha-amino group.