Exact Mass: 95.9976

Exact Mass Matches: 95.9976

Found 106 metabolites which its exact mass value is equals to given mass value 95.9976, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Mesylate

Methanesulfonic acid solution

CH4SO3 (95.9881)

Mesylate, also known as methanesulfonate or mesylic acid, belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). Mesylate exists as a solid, soluble (in water), and an extremely strong acidic compound (based on its pKa). Mesylate is also a parent compound for other transformation products, including but not limited to, methanesulfonates, S-methyl methanethiosulfonate, and (Z)-11-methyl-N-(methylsulfonyl)dodec-2-enamide. KEIO_ID M135 KEIO_ID M021

2-Furancarboxaldehyde

2-Furylaldehyde xypropane

C5H4O2 (96.0211)

2-furancarboxaldehyde, also known as furaldehyde or 2-formylfuran, is a member of the class of compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 2-furancarboxaldehyde is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-furancarboxaldehyde is a sweet, almond, and baked tasting compound and can be found in a number of food items such as coriander, cocoa bean, red raspberry, and rice, which makes 2-furancarboxaldehyde a potential biomarker for the consumption of these food products. 2-furancarboxaldehyde can be found primarily in feces and urine. 2-furancarboxaldehyde exists in all eukaryotes, ranging from yeast to humans. 2-Furancarboxaldehyde, also known as 2-furaldehyde or a-furole, belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. 2-Furancarboxaldehyde is found in allspice and it is also a flavour ingredient. 2-Furancarboxaldehyde is present in coffee, calamus, matsutake mushroom (Tricholoma matsutake), pumpkin, malt, peated malt, Bourbon vanilla, Lambs lettuce, pimento leaf and various fruits, e.g. apple, apricot, sweet cherry, morello cherry, orange, grapefruit, Chinese quince and a common constituent of essential oils. Furfural is an organic compound derived from a variety of agricultural byproducts, including corncobs, oat, wheat bran, and sawdust.

Methaneselenol

Methylselenium(II)

CH4Se (95.9478)

Methaneselenol, commonly referred to as methylselenol, is an organoselenium compound that is a selenium analogue of methanol. It consists of a methyl group covalently bound to a selenol group. Methylselenol is a naturally produced metabolite of selenium (Se), an essential trace element (PMID: 25258323). Inorganic selenium is mainly represented by selenate and selenite, whereas the organic selenium forms are represented by the selenoamino acids: selenomethionine (SeMet), selenocysteine (SeCys) and selenium methylselenocysteine (MSC) (PMID: 25258323). SeMet and MSC can be found in vegetables such as garlic and onions. Selenite is reduced in the presence of glutathione to selenide (H2Se). SeMet and selenocysteine (SeCys2) are also primarily converted to selenide and incorporated into selenoproteins or selenosugars. On the other hand, MSC (a natural metabolite) and the antineoplastic drug methylselenic acid (MSA) are converted to methylselenol by the enzyme beta-lyase (PMID: 25258323). Both selenide and methylselenol are highly reactive and both can interconvert through methylation/demethylation activities. Methylselenol is thought to be most significant in the anticancer activity of Se compounds (PMID: 30241340). Redox active Se compounds such as methylselenol have gained significant attention in the past decade as potential cancer therapeutic agents. Methylselenol is known for its action to selectively kill transformed cells through mechanisms that include increased formation of reactive oxygen species, induction of DNA damage, triggering of apoptosis, and inhibition of angiogenesis. Methylselenol also regulates the expression of ligands that trigger immune activation through the lymphocyte receptor NKG2D. The expression of NKG2D ligands is induced by stress-associated pathways that occur early during malignant transformation and enable the recognition and elimination of tumors by activating the lymphocyte receptor NKG2D (PMID: 25258323). This suggests that the application of selenium compounds that are metabolized to CH3SeH could improve NKG2D-based immune therapy for cancer treatment.

1,2-Dichloroethene

trans-Acetylene dichloride

C2H2Cl2 (95.9534)

Protoanemonin

5-methylidene-2,5-dihydrofuran-2-one

C5H4O2 (96.0211)

Protoanemonin (sometimes called anemonol or ranunculol) is a toxin found in all plants of the buttercup family (Ranunculaceae). On maceration, for example when the plant is wounded, it is produced by an enzymatic process from the glucoside ranunculin. It is the lactone of 4-hydroxy-2,4-pentadienoic acid. A wounded plant releases the substance, causing itch, rashes or blistering on contact with the skin or mucosa. (Wikipedia)