Exact Mass: 141.0954
Exact Mass Matches: 141.0954
Found 426 metabolites which its exact mass value is equals to given mass value 141.0954,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Arecaidine
Arecaidine is a citraconoyl group. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2]. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2]. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2].
Tropine
Pseudotropine is a natural product found in Atropa belladonna and Datura stramonium with data available. KEIO_ID T024 Tropine is a secondary metabolite of Solanaceae plants, is an anticholinergic agent[1]. Tropine is a common intermediate in the synthesis of a variety of bioactive alkaloids, including hyoscyamine and scopolamine[2]. Tropine is a secondary metabolite of Solanaceae plants, is an anticholinergic agent[1]. Tropine is a common intermediate in the synthesis of a variety of bioactive alkaloids, including hyoscyamine and scopolamine[2].
L-Histidinol
L-Histidinol, a structural analogue of the essential amino acid L-histidine, enhances the toxicity of a variety of anticancer drugs for many tumour cells of animal origin (PMID:8297120). L-Histidinol inhibits human myristoyl-CoA:protein-myristoyltransferase (hNMT), an essential eukaryotic enzyme that catalyzes the cotranslational transfer of myristate into the NH2-terminal glycine residue of a number of important proteins of diverse function (PMID:9778369). L-Histidinol, a structural analogue of the essential amino acid L-histidine, enhances the toxicity of a variety of anticancer drugs for many tumor cells of animal origin. (PMID 8297120)
L-Hypoglycin A
Isolated from the unripe fruit of akee apple (Blighia sapida). L-Hypoglycin A is found in many foods, some of which are fox grape, biscuit, mamey sapote, and chinese chives. L-Hypoglycin A is found in fruits. L-Hypoglycin A is isolated from the unripe fruit of akee apple (Blighia sapida D009676 - Noxae > D011042 - Poisons > D007005 - Hypoglycins
Guvacoline
The methyl ester of guvacine.
Hygrine
Hygrine, also known as (+)-hygrine or (+)-N-methyl-2-acetonylpyrrolidine, belongs to alkaloids and derivatives class of compounds. Those are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic propertiesand is also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus. Hygrine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Hygrine can be found in pomegranate, which makes hygrine a potential biomarker for the consumption of this food product. Hygrine is a pyrrolidine alkaloid, found mainly in coca leaves (0.2\\%). It was first isolated by Carl Liebermann in 1889 (along with a related compound cuscohygrine) as an alkaloid accompanying cocaine in coca. Hygrine is extracted as a thick yellow oil, having a pungent taste and odor .
(±)-Pelletierine
(±)-pelletierine, also known as (-)-isomer of isopelletierine or (+-)-1-(2-piperidinyl)-2-propanone, is a member of the class of compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms (±)-pelletierine is soluble (in water) and an extremely weak acidic compound (based on its pKa). (±)-pelletierine can be found in pomegranate, which makes (±)-pelletierine a potential biomarker for the consumption of this food product. (±)-Pelletierine is found in fruits. (±)-Pelletierine is an alkaloid from pomegranat
Ethosuximide
Ethosuximide is only found in individuals that have used or taken this drug. It is an anticonvulsant especially useful in the treatment of absence seizures unaccompanied by other types of seizures. [PubChem]Binds to T-type voltage sensitive calcium channels. Voltage-sensitive calcium channels (VSCC) mediate the entry of calcium ions into excitable cells and are also involved in a variety of calcium-dependent processes, including muscle contraction, hormone or neurotransmitter release, gene expression, cell motility, cell division and cell death. The isoform alpha-1G gives rise to T-type calcium currents. T-type calcium channels belong to the "low-voltage activated (LVA)" group and are strongly blocked by mibefradil. A particularity of this type of channels is an opening at quite negative potentials and a voltage-dependent inactivation. T-type channels serve pacemaking functions in both central neurons and cardiac nodal cells and support calcium signaling in secretory cells and vascular smooth muscle. They may also be involved in the modulation of firing patterns of neurons which is important for information processing as well as in cell growth processes. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AD - Succinimide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Arecaidine
Arecaidine is found in nuts. Arecaidine is an alkaloid from nuts of Areca catechu (betel nuts Arecaidine is a citraconoyl group. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2]. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2]. Arecaidine, a pyridine alkaloid, is a potent GABA uptake inhibitor. Arecaidine is a substrate of H+-coupled amino acid transporter 1 (PAT1, SLC36A1) and competitively inhibits L-proline uptake[1][2].
Physoperuvine
Physoperuvine is found in fruits. Physoperuvine is an alkaloid from Physalis peruviana (Cape gooseberry
(R)-Pelletierine
(R)-Pelletierine is found in fruits. (R)-Pelletierine is an alkaloid from pomegranat Alkaloid from pomegranate. (R)-Pelletierine is found in fruits and pomegranate.
2-(2-Methylpropyl)thiazole
Tomato volatile and flavouring ingredient. Liq. with tomato leaf odour. 2-(2-Methylpropyl)thiazole is found in garden tomato. 2-(2-Methylpropyl)thiazole is found in garden tomato. Tomato volatile and flavouring ingredient. Liq. with tomato leaf odou
Conhydrinone
Conhydrinone is a maillard product from L-proline and monosaccharides. Maillard product from L-proline and monosaccharides.
2-(1-Methylpropyl)thiazole
xi-2-(1-Methylpropyl)thiazole is a flavour enhancer for tomato products. It is used as a food additive
4-Methyl-2-(1-methylethyl)thiazole
4-Methyl-2-(1-methylethyl)thiazole, also known as fema 3555 or 2-isopropyl-4-methyl-thiazole, belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. 2,4-disubstituted thiazoles are compounds containing a thiazole ring substituted at the positions 2 and 3. A 1,3-thiazole that is substituted at positions 2 and 4 by isopropyl and methyl groups, respectively. 4-Methyl-2-(1-methylethyl)thiazole is an earthy, fruit, and green tasting compound. 4-Methyl-2-(1-methylethyl)thiazole has been detected, but not quantified, in several different foods, such as cocoa and cocoa products, fruits, garden tomato, herbs and spices, and mushrooms. This could make 4-methyl-2-(1-methylethyl)thiazole a potential biomarker for the consumption of these foods. A fruit flavour intensifier, it has a peach flavour with distinct vegetable and tropical notes. Present in Indonesian durian fruit (Durio zibethinus), red tomatoes, yeast extract, coriander seed oil, and roast meats. Also used in apricot, nectarine, durian, mango, pear and blackcurrant flavours. 4-Methyl-2-(1-methylethyl)thiazole is a fruit flavour intensifier. It is found in indonesian durian fruit (Durio zibethinus), cocoa butter/roasted beans, red tomatoes, yeast extract, coriander seed oil and roast meats. Off-flavour component in fortified juice-containing beverages. It is also found in mushrooms.
6-Isothiocyanato-1-hexene
6-Isothiocyanato-1-hexene is found in brassicas. 6-Isothiocyanato-1-hexene is isolated from a hydrolysate of Japanese horseradish (Wasabia japonica) and from radish (Raphanus sativus). Isolated from a hydrolysate of Japanese horseradish (Wasabia japonica) and from radish (Raphanus sativus). 6-Isothiocyanato-1-hexene is found in brassicas and root vegetables.
1-(1-Pyrrolidinyl)-2-butanone
1-(1-Pyrrolidinyl)-2-butanone is a maillard product derived from proline and reducing sugars such as glucose. Maillard product derived from proline and reducing sugars such as glucose
3-(1-Pyrrolidinyl)-2-butanone
3-(1-Pyrrolidinyl)-2-butanone is a maillard product. Maillard product
2-Ethyl-4,5-dimethylthiazole
2-Ethyl-4,5-dimethylthiazole is found in coffee and coffee products. 2-Ethyl-4,5-dimethylthiazole is a component of coffee aroma. Component of coffee aroma. 2-Ethyl-4,5-dimethylthiazole is found in coffee and coffee products.
4-Ethyl-2,5-dimethylthiazole
Flavour component of coffee, baked potato, fried bacon, cooked pork and yeast extract. 4-Ethyl-2,5-dimethylthiazole is found in many foods, some of which are potato, mushrooms, animal foods, and tea. 4-Ethyl-2,5-dimethylthiazole is found in animal foods. 4-Ethyl-2,5-dimethylthiazole is a flavour component of coffee, baked potato, fried bacon, cooked pork and yeast extract.
5-Ethyl-2,4-dimethylthiazole
Volatile flavour ingredient of coffee, roasted peanuts, roasted lamb fat, fried chicken, cooked pork, roast beef and yeast extract; flavouring ingredient. 5-Ethyl-2,4-dimethylthiazole is found in many foods, some of which are mushrooms, nuts, animal foods, and coffee and coffee products. 5-Ethyl-2,4-dimethylthiazole is found in animal foods. 5-Ethyl-2,4-dimethylthiazole is a volatile flavour ingredient of coffee, roasted peanuts, roasted lamb fat, fried chicken, cooked pork, roast beef and yeast extract; flavouring ingredient.
2,5-Diethylthiazole
2,5-Diethylthiazole is found in coffee and coffee products. 2,5-Diethylthiazole is a component of coffee aroma. Component of coffee aroma. 2,5-Diethylthiazole is found in coffee and coffee products.
2-Methyl-4-(1-methylethyl)thiazole
2-Methyl-4-(1-methylethyl)thiazole is found in mushrooms. Aroma component of yeast extract. Aroma component of yeast extract. 2-Methyl-4-(1-methylethyl)thiazole is found in mushrooms.
2,4-Diethylthiazole
2,4-Diethylthiazole is found in coffee and coffee products. 2,4-Diethylthiazole is a volatile flavour component of coffee aroma and yeast extract. Volatile flavour component of coffee aroma and yeast extract. 2,4-Diethylthiazole is found in mushrooms and coffee and coffee products.
Isothiocyanatocyclohexane
Isothiocyanatocyclohexane belongs to the family of Isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S
Tropine
Pseudotropine, also known as tropine hydrochloride, (endo)-isomer or tropine, (exo)-isomer, is a member of the class of compounds known as tropane alkaloids. Tropane alkaloids are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane. Pseudotropine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Pseudotropine can be found in a number of food items such as winter savory, japanese chestnut, blackcurrant, and black walnut, which makes pseudotropine a potential biomarker for the consumption of these food products. Pseudotropine (3β-tropanol, ψ-tropine, 3-pseudotropanol or PTO) is a derivative of tropane and an isomer of tropine . Tropine is a secondary metabolite of Solanaceae plants, is an anticholinergic agent[1]. Tropine is a common intermediate in the synthesis of a variety of bioactive alkaloids, including hyoscyamine and scopolamine[2]. Tropine is a secondary metabolite of Solanaceae plants, is an anticholinergic agent[1]. Tropine is a common intermediate in the synthesis of a variety of bioactive alkaloids, including hyoscyamine and scopolamine[2].
dimetridazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3975; ORIGINAL_PRECURSOR_SCAN_NO 3974; CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3975; ORIGINAL_PRECURSOR_SCAN_NO 3974 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3993; ORIGINAL_PRECURSOR_SCAN_NO 3992 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4003; ORIGINAL_PRECURSOR_SCAN_NO 4002 ORIGINAL_ACQUISITION_NO 4003; CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 4002 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3997; ORIGINAL_PRECURSOR_SCAN_NO 3996 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4028; ORIGINAL_PRECURSOR_SCAN_NO 4026 CONFIDENCE standard compound; INTERNAL_ID 607; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4002; ORIGINAL_PRECURSOR_SCAN_NO 3998
2-Amino-4-methyl-5-hexynoic acid|2-Amino-4-methyl-hex-5-yn-carbonsaeure
Tropine
A derivative of tropane having a hydroxy group at the 3-position. Tropine is a derivative of tropane having a hydroxy group at the 3-position. It has a role as a mouse metabolite. It is a conjugate base of a tropinium. Tropine is a natural product found in Datura stramonium with data available. C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent Tropine is a secondary metabolite of Solanaceae plants, is an anticholinergic agent[1]. Tropine is a common intermediate in the synthesis of a variety of bioactive alkaloids, including hyoscyamine and scopolamine[2]. Tropine is a secondary metabolite of Solanaceae plants, is an anticholinergic agent[1]. Tropine is a common intermediate in the synthesis of a variety of bioactive alkaloids, including hyoscyamine and scopolamine[2].
Histidinol
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.044 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.042 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.041 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.040
L-Histidinol
An amino alcohol that is propanol substituted by 1H-imidazol-4-yl group at position 3 and an amino group at position 2 (the 2S stereoisomer).
Pymetrozine-TP CGA371075
CONFIDENCE standard compound; UCHEM_ID 4169
ethosuximide
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AD - Succinimide derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Pseudotropine
Tropine is a secondary metabolite of Solanaceae plants, is an anticholinergic agent[1]. Tropine is a common intermediate in the synthesis of a variety of bioactive alkaloids, including hyoscyamine and scopolamine[2]. Tropine is a secondary metabolite of Solanaceae plants, is an anticholinergic agent[1]. Tropine is a common intermediate in the synthesis of a variety of bioactive alkaloids, including hyoscyamine and scopolamine[2].
1H-Pyrrole-1-carboxylicacid,2,3-dihydro-5-methyl-,methylester(9CI)
1H-1,2,4-Triazole-5-carboxylicacid,1-methyl-,hydrazide(9CI)
1H-Imidazole-4-carboxylicacid, 5-amino-, methyl ester
1H-Pyrrole-3-carboxaldehyde, 2,5-dihydro-2-(hydroxymethyl)-1-methyl- (9CI)
1H-Imidazole-2-carboxylicacid,4-amino-1-methyl-(9CI)
Racemic-(1S,3R,4R)-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acid
(1-cyclopropyl-3-pyrrolidinyl)methanol(SALTDATA: FREE)
N-HYDROXY-2-(1H-1,2,4-TRIAZOL-1-YL)ETHANIMIDAMIDE HYDROCHLORIDE
1H-Imidazole-4-carboxamide,5-hydroxy-1-methyl-(9CI)
1H-Imidazole-4-carboxamide,5-hydroxy-N-methyl-(9CI)
1H-1,2,4-Triazole-3-carboxylicacid,5-methyl-,methylester(9CI)
1H-1,2,3-Triazole-1-carboxylicacid,ethylester(9CI)
1,2,4-Oxadiazol-3-amine,5-(1,1-dimethylethyl)-(9CI)
1H-Imidazole-4-carboxamide,5-hydroxy-2-methyl-(9CI)
Oxazole,4,5-dihydro-4,4-dimethyl-2-(1-methylethyl)-
1R,4S,6R)-4-(hydroxymethyl)-3-azabicyclo[4.1.0]heptan-2-one
Pyrimidine, 4-amino-2-(fluoromethyl)-6-methyl- (8CI)
1H-1,2,4-Triazole-3,5-diamine,N3,N3,1-trimethyl-(9CI)
1H-Imidazole-5-carboxamide,4-hydroxy-1-methyl-(9CI)
1H-Pyrazole-3-carboxamide,5-(hydroxymethyl)- (9CI)
1H-Pyrazole-5-carboxylicacid,3-amino-1-methyl-(9CI)
4-(3-ISOPROPYL-[1,2,4]OXADIAZOL-5-YL)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(1R,2S)-1-Amino-2-vinyl-cyclopropanecarb oxylic acid methyl ester
1H-1,2,3-Triazole-4-carboxylicacid,5-methyl-,methylester(9CI)
1H-Azepine-1-carboxaldehyde, hexahydro-2-oxo- (9CI)
(5Z)-3-phenyl-5-(thiophen-3-ylmethylidene)thiazolidine-2,4-dione
2-Azetidine carboxaldehyde,1-(1,1-dimethylethyl)-(9Cl)
2(1H)-Pyrimidinone, 4-amino-6-(hydroxymethyl)- (9CI)
1H-Pyrazole-4-carboxylicacid,1-amino-,methylester(9CI)
1H-Imidazole-4-carboxylicacid,5-amino-,hydrazide(9CI)
1,3,4-Oxadiazol-2-amine,5-(1,1-dimethylethyl)-(9CI)
1H-Imidazole-4-carboxamide,N-hydroxy-N-methyl-(9CI)
1-(5-Ethyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
3,3-Diethylpyrrolidin-2-one
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
2-amino-3-(2-methylidenecyclopropyl)propanoic acid
(2E)-oct-2-enoate
A monounsaturated fatty acid anion that is the conjugate base of (2E)-oct-2-enoic acid. Major species at pH 7.3.
Hypoglycin a
A diastereoisomeric mixture of (2S,4R)- and (2S,4S)- hypoglycin A, found in the edible part of the fruit of the Ackee, Blighia sapida (where the 2S,4R diastereoisomer is more dominant (17\\% d.e.) than its 2S,4S counterpart) as well as in the sycamore maple tree (Acer pseudoplatanus). D009676 - Noxae > D011042 - Poisons > D007005 - Hypoglycins
5-(hydroxymethyl)cytosine
A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a hydroxymethyl group.
(2S,4S)-hypoglycin A
A 2-amino-3-(2-methylenecyclopropyl)propanoic acid that has L configuration at the amino-bearing carbon and S configuration at the methylenecylopropyl centre.
2-amino-4-methyl-5-hexynoic acid
{"Ingredient_id": "HBIN005314","Ingredient_name": "2-amino-4-methyl-5-hexynoic acid","Alias": "NA","Ingredient_formula": "C7H11NO2","Ingredient_Smile": "CC(CC(C(=O)O)N)C#C","Ingredient_weight": "141.17 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8701","PubChem_id": "90986","DrugBank_id": "NA"}
