Exact Mass: 118.0490736
Exact Mass Matches: 118.0490736
Found 142 metabolites which its exact mass value is equals to given mass value 118.0490736,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Benzimidazole
CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3587; ORIGINAL_PRECURSOR_SCAN_NO 3586 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2303; ORIGINAL_PRECURSOR_SCAN_NO 2299 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2278; ORIGINAL_PRECURSOR_SCAN_NO 2277 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3578; ORIGINAL_PRECURSOR_SCAN_NO 3577 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3557; ORIGINAL_PRECURSOR_SCAN_NO 3556 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2260; ORIGINAL_PRECURSOR_SCAN_NO 2259 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2273; ORIGINAL_PRECURSOR_SCAN_NO 2271 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2284; ORIGINAL_PRECURSOR_SCAN_NO 2282 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3585; ORIGINAL_PRECURSOR_SCAN_NO 3584 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3606; ORIGINAL_PRECURSOR_SCAN_NO 3604 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3575; ORIGINAL_PRECURSOR_SCAN_NO 3574 CONFIDENCE standard compound; INTERNAL_ID 1348; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2284; ORIGINAL_PRECURSOR_SCAN_NO 2282 D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics CONFIDENCE standard compound; INTERNAL_ID 8120 KEIO_ID B007
Benzofuran
Benzofuran, also known as coumaron or 1-oxaindene, belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom. Benzothiophene, an analog with a sulfur instead of the oxygen atom. Benzofuran is a drug. benzofuran has been detected, but not quantified, in several different foods, such as alcoholic beverages, coffee and coffee products, herbs and spices, root vegetables, and tea. This could make benzofuran a potential biomarker for the consumption of these foods. This colourless liquid is a component of coal tar. Benzofuran is the heterocyclic compound consisting of fused benzene and furan rings. Benzofuran is a potentially toxic compound. For example, psoralen is a benzofuran derivative that occurs in several plants. Isobenzofuran, the isomer with oxygen in the adjacent position. Benzofuran is a Maillard product. It is a heterocyclic compound consisting of fused benzene and furan rings. It is the parent of many related compounds with more complex structures. For example, psoralen is a benzofuran derivative that occurs in several plants. It is found in many foods, some of which are herbs and spices, tea, alcoholic beverages, and coffee and coffee products.
7-Azaindolizine
7-Azaindolizine is found in animal foods. 7-Azaindolizine is a component of roast beef aroma. Component of roast beef aroma. 7-Azaindolizine is found in animal foods.
xi-2,3-Octadiene-5,7-diyn-1-ol
xi-2,3-Octadiene-5,7-diyn-1-ol is found in mushrooms. xi-2,3-Octadiene-5,7-diyn-1-ol is isolated from Lentinus edodes (shiitake). Isolated from Lentinus edodes (shiitake). xi-2,3-Octadiene-5,7-diyn-1-ol is found in mushrooms.
xi-2-Methyl-1,3-oxathiane
xi-2-Methyl-1,3-oxathiane is found in onion-family vegetables. xi-2-Methyl-1,3-oxathiane is a constituent of the buds of Chinese chives (Allium tuberosum). Constituent of the buds of Chinese chives (Allium tuberosum). xi-2-Methyl-1,3-oxathiane is found in onion-family vegetables.
3,5,7-Octatriyn-1-ol
3,5,7-Octatriyn-1-ol is found in mushrooms. 3,5,7-Octatriyn-1-ol is isolated from Lentinus edodes (shiitake). Isolated from Lentinus edodes (shiitake). 3,5,7-Octatriyn-1-ol is found in mushrooms.
(S)-Methylbutanethioic acid
(S)-Methylbutanethioic acid belongs to the class of organic compounds known as carbothioic S-acids. These are organic acids with the general formula RCS-OH (R=H, organic group).
1-(Methylthio)-2-butanone
1-(Methylthio)-2-butanone is found in coffee and coffee products. 1-(Methylthio)-2-butanone is a constituent of coffee concentrate. 1-(Methylthio)-2-butanone is a flavouring agent. Constituent of coffee concentrate. Flavouring agent. 1-(Methylthio)-2-butanone is found in coffee and coffee products.
2,4,6-Octatriyn-1-ol
2,4,6-Octatriyn-1-ol is found in mushrooms. 2,4,6-Octatriyn-1-ol is a constituent of Kuehneromyces mutabilis (two-toned wood tuft) and Russula vesca (bare-toothed russule) Constituent of Kuehneromyces mutabilis (two-toned wood tuft) and Russula vesca (bare-toothed russule). 2,4,6-Octatriyn-1-ol is found in mushrooms.
S-Methyl butanethioate
S-Methyl butanethioate is a flavouring agent Flavouring agent
4-(Methylthio)-2-butanone
4-(Methylthio)-2-butanone is a flavouring ingredien Flavouring ingredient
4-Mercapto-2-pentanone
4-Mercapto-2-pentanone is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
S-Propyl thioacetate
S-Propyl thioacetate is a flavouring ingredient. Flavouring ingredient
3-Mercapto-2-pentanone
3-Mercapto-2-pentanone is found in animal foods. 3-Mercapto-2-pentanone is a maillard product from reaction of cysteine and ribose. Aroma/flavour component of cookes meats. 3-Mercapto-2-pentanone is a flavouring agent Maillard product from reaction of cysteine and ribose. Aroma/flavour component of cookes meats. Flavouring agent. 3-Mercapto-2-pentanone is found in animal foods.
2-Mercapto-3-pentanone
2-Mercapto-3-pentanone is found in animal foods. Aroma/flavour component of cooked meats. 2-Mercapto-3-pentanone is a maillard product from reaction of cysteine and ribos Aroma/flavour component of cooked meats. Maillard product from reaction of cysteine and ribose. 2-Mercapto-3-pentanone is found in animal foods.
Tetrahydro-2-methylthiophen-3-ol
Tetrahydro-2-methylthiophen-3-ol is found in alcoholic beverages. Tetrahydro-2-methylthiophen-3-ol is found in wine. Tetrahydro-2-methylthiophen-3-ol is a compound responsible for "off" taste in some wines. Found in wine. Compd. responsible for "off" taste in some wines
Tetrahydro-2-methyl-3-furanthiol
Tetrahydro-2-methyl-3-furanthiol is a flavour enhancer for meat-like food Flavour enhancer for meat-like foods
4-(Methylthio)butanal
4-(Methylthio)butanal is a flavouring ingredient. Flavouring ingredient
5H-Cyclopentapyrazine
5H-Cyclopentapyrazine is found in pulses. 5H-Cyclopentapyrazine is a constituent of shoyu (soy sauce). Constituent of shoyu (soy sauce). 5H-Cyclopentapyrazine is found in pulses.
3-(Methylthio)butanal
3-(Methylthio)butanal is a flavouring ingredient. Flavouring ingredient
3-(Methylthio)-2-butanone
3-(Methylthio)-2-butanone 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
Indazole
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
7-Azaindole
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1,1,3-Trimethyl-2-thiourea
CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3597; ORIGINAL_PRECURSOR_SCAN_NO 3595 CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3617; ORIGINAL_PRECURSOR_SCAN_NO 3615 CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3613; ORIGINAL_PRECURSOR_SCAN_NO 3609 CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3630; ORIGINAL_PRECURSOR_SCAN_NO 3627 CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3624; ORIGINAL_PRECURSOR_SCAN_NO 3619 CONFIDENCE standard compound; INTERNAL_ID 886; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3629; ORIGINAL_PRECURSOR_SCAN_NO 3626
Indazole
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 8312 CONFIDENCE standard compound; INTERNAL_ID 8153
Carbamimidothioic acid,N,N-dimethyl-, methyl ester
L-threoninate
An L-alpha-amino acid anion that is the conjugate base of L-threonine, arising from deprotonation of the carboxy group.
4-Amino-3-hydroxybutanoate
The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group.
Homoserinate
An alpha-amino-acid anion resulting from the removal of a proton from the carboxy group of homoserine.
BENZIMIDAZOLE
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics