Exact Mass: 219.1107
Exact Mass Matches: 219.1107
Found 500 metabolites which its exact mass value is equals to given mass value 219.1107,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Zeatin
Zeatin belongs to the class of organic compounds known as 6-alkylaminopurines. 6-Alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. Zeatin is a cytokinin (plant growth hormone) derived from the purine adenine, which occurs in the form of a cis- and a trans-isomer and conjugates. Zeatin was first discovered in immature corn kernels from the genus Zea. Zeatin has also been detected, but not quantified in several different foods, such as figs, rowanberries, red raspberries, garlic, and tree ferns. Zeatin has also been shown to promote the resistance of tobacco against the bacterial pathogen Pseudomonas syringae, in which trans-zeatin has a more prominent effect than cis-zeatin. Zeatin has several anti-ageing effects on human skin fibroblasts. It promotes the growth of lateral buds and, when sprayed on meristems, stimulates cell division to produce bushier plants. Zeatin and its derivatives occur in many plant extracts and are the active ingredient in coconut milk, which causes plant growth. Zeatin is a 6-isopentenylaminopurine. It has a role as a cytokinin. An aminopurine factor in plant extracts that induces cell division. (Grant & Hackhs Chemical Dict, 5th ed) trans-Zeatin is a natural product found in Cichorium intybus, Prunus cerasus, and other organisms with data available. An aminopurine factor in plant extracts that induces cell division. (Grant and Hackhs Chemical Dict, 5th ed) D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Isolated from sweet corn (Zea mays) and numerous other plants Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID Z002; [MS2] KO009317 KEIO_ID Z002 trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation. trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation. trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation. trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation.
Pantothenic acid
(R)-pantothenic acid is a pantothenic acid having R-configuration. It has a role as an antidote to curare poisoning, a human blood serum metabolite and a geroprotector. It is a vitamin B5 and a pantothenic acid. It is a conjugate acid of a (R)-pantothenate. Pantothenic acid, also called pantothenate or vitamin B5 (a B vitamin), is a water-soluble vitamin discovered by Roger J. Williams in 1919. For many animals, pantothenic acid is an essential nutrient as it is required to synthesize coenzyme-A (CoA), as well as to synthesize and metabolize proteins, carbohydrates, and fats. Pantothenic acid is the amide between pantoic acid and β-alanine and commonly found as its alcohol analog, the provitamin panthenol, and as calcium pantothenate. Small quantities of pantothenic acid are found in nearly every food, with high amounts in whole-grain cereals, legumes, eggs, meat, royal jelly, avocado, and yogurt. Pantothenic acid is an ingredient in some hair and skin care products. Only the dextrorotatory (D) isomer of pantothenic acid possesses biological activity. while the levorotatory (L) form may antagonize the effects of the dextrorotatory isomer. Pantothenic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Pantothenic acid is a natural product found in Chlamydomonas reinhardtii, Arabidopsis thaliana, and other organisms with data available. Pantothenic Acid is a water-soluble vitamin ubiquitously found in plants and animal tissues with antioxidant property. Vitamin B5 is a component of coenzyme A (CoA) and a part of the vitamin B2 complex. Vitamin B5 is a growth factor and is essential for various metabolic functions, including the metabolism of carbohydrates, proteins, and fatty acids. This vitamin is also involved in the synthesis of cholesterol, lipids, neurotransmitters, steroid hormones, and hemoglobin. (R)-Pantothenic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE. See also: Broccoli (part of). Pantothenic acid, also called vitamin B5, is a water-soluble vitamin required to sustain life. Pantothenic acid is needed to form coenzyme-A (CoA), and is thus critical in the metabolism and synthesis of carbohydrates, proteins, and fats. Its name is derived from the Greek pantothen meaning "from everywhere" and small quantities of pantothenic acid are found in nearly every food, with high amounts in whole grain cereals, legumes, eggs, meat, and royal jelly. Pantothenic acid is classified as a member of the secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). Pantothenic acid is considered to be soluble (in water) and acidic. (r)-pantothenate, also known as (+)-pantothenic acid or vitamin b5, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl) (r)-pantothenate is soluble (in water) and a weakly acidic compound (based on its pKa). (r)-pantothenate can be found in a number of food items such as spirulina, nance, cereals and cereal products, and sparkleberry, which makes (r)-pantothenate a potential biomarker for the consumption of these food products (r)-pantothenate can be found primarily in blood and urine (r)-pantothenate exists in all eukaryotes, ranging from yeast to humans. D018977 - Micronutrients > D014815 - Vitamins A pantothenic acid having R-configuration. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID P032; [MS2] KO009182 KEIO_ID P032; [MS3] KO009183 KEIO_ID P032 D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
N-PHENYL-1-NAPHTHYLAMINE
CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10077; ORIGINAL_PRECURSOR_SCAN_NO 10074 CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10054; ORIGINAL_PRECURSOR_SCAN_NO 10051 CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10017; ORIGINAL_PRECURSOR_SCAN_NO 10013 CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10109; ORIGINAL_PRECURSOR_SCAN_NO 10106 CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10083; ORIGINAL_PRECURSOR_SCAN_NO 10080 CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10041; ORIGINAL_PRECURSOR_SCAN_NO 10037 D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes CONFIDENCE standard compound; INTERNAL_ID 4139 CONFIDENCE standard compound; INTERNAL_ID 2426 CONFIDENCE standard compound; INTERNAL_ID 8127 D009676 - Noxae > D002273 - Carcinogens
aniracetam
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent Same as: D01883 Aniracetam (Ro 13-5057) is an orally active neuroprotective agent, possessing nootropics effects. Aniracetam potentiates the ionotropic quisqualate (iQA) responses in the CA1 region of rat hippocampal slices. Aniracetam also potentiates the excitatory post synaptic potentials (EPSPs) in Schaffer collateral-commissural synapses. Aniracetam can prevents the CO2-induced impairment of acquisition in hypercapnia model rats. Aniracetam can be used to research cerebral dysfunctional disorders[1][2][3][4].
N-Phenyl-2-naphthylamine
CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10025; ORIGINAL_PRECURSOR_SCAN_NO 10023 CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10038; ORIGINAL_PRECURSOR_SCAN_NO 10033 CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10043; ORIGINAL_PRECURSOR_SCAN_NO 10042 CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9976; ORIGINAL_PRECURSOR_SCAN_NO 9974 CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9984; ORIGINAL_PRECURSOR_SCAN_NO 9980 CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9994; ORIGINAL_PRECURSOR_SCAN_NO 9992 N-Phenyl-2-naphthylamine is found in root vegetables. N-Phenyl-2-naphthylamine is a constituent of Daucus carota (carrot). Constituent of Daucus carota (carrot). N-Phenyl-2-naphthylamine is found in root vegetables. CONFIDENCE standard compound; INTERNAL_ID 8366 CONFIDENCE standard compound; INTERNAL_ID 28
Nitroarginine
An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group. C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D004791 - Enzyme Inhibitors
pentahomomethionine
A sulfur-containing amino acid consisting of 2-aminononanoic acid having a methylthio substituent at the 9-position.
Indolmycenic acid
An indol-3-yl carboxylic acid that is 3-(1H-indol-3-yl)butanoic acid substituted at positions 2 and 3 by hydroxy and methyl groups respectively.
Cis-zeatin
The cis-isomer of zeatin. Acquisition and generation of the data is financially supported by the Max-Planck-Society
Ritalinic acid
Ritalinic acid belongs to the family of Beta Amino Acids and Derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid
alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid is found in nuts. alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid is a constituent of the skins of peanuts (Arachis hypogaea). Constituent of the skins of peanuts (Arachis hypogaea). alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid is found in nuts.
DL-Ornithino-L-alanine
DL-Ornithino-L-alanine is found in milk and milk products. DL-Ornithino-L-alanine is a amino acid formed by alkaline hydrolysis of silk, wool and other proteins, especially lactalbumin and caseins. DL-Ornithino-L-alanine is present in Mozzarella chees
alpha-Methoxy-1H-indole-3-propanoic acid
alpha-Methoxy-1H-indole-3-propanoic acid is found in nuts. alpha-Methoxy-1H-indole-3-propanoic acid is a constituent of the skins of peanuts (Arachis hypogaea). Constituent of the skins of peanuts (Arachis hypogaea). alpha-Methoxy-1H-indole-3-propanoic acid is found in nuts.
Tanakamine
Tanakamine is found in fruits. Tanakamine is an alkaloid from the stems of Limonia acidissima (wood apple). Alkaloid from the stems of Limonia acidissima (wood apple). Tanakamine is found in fruits.
N-Deschlorobenzoyl indomethacin
N-Deschlorobenzoyl indomethacin is only found in individuals that have used or taken Indomethacin. N-Deschlorobenzoyl indomethacin is a metabolite of Indomethacin. N-deschlorobenzoyl indomethacin belongs to the family of Indole-3-acetic Acid Derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
Nigellimine N-oxide
Nigellimine N-oxide is found in herbs and spices. Minor alkaloid from the seeds of Nigella sativa (blcak cumin).
cis-3-Hexenyl 2-aminobenzoate
cis-3-Hexenyl 2-aminobenzoate is a flavouring ingredient for baked goods and candies. Flavouring ingredient for baked goods and candies
Cyclohexyl 2-aminobenzoate
Cyclohexyl 2-aminobenzoate is a flavouring ingredient. Flavouring ingredient
1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1,4-pentanedione
Proline-derived Maillard product. Proline-derived Maillard product
2-Hexylbenzothiazole
2-Hexylbenzothiazole is found in nuts. 2-Hexylbenzothiazole is a volatile flavour component of roasted peanuts. Volatile flavour component of roasted peanuts. 2-Hexylbenzothiazole is found in nuts.
8,9-Dihydroxy-1,5,6,10B-tetrahydropyrrolo[2,1-A]isoquinolin-3(2H)-one
Alminoprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Alminoprofen (EB-382) is a nonsteroidal anti-inflammatory agent (NSAID) of the phenylpropionic acid class. Alminoprofen possesses a dual anti-inflammatory action, by inhibiting both secretory phospholipase A2 (sPLA2) and COX-2[1].
3-[[(2S)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
Pantothenic acid is a water-soluble vitamin. For many animals, pantothenic acid is an essential nutrient. Only the dextrorotatory (D) isomer of pantothenic acid possesses biologic activity. The levorotatory (L) form may antagonize the effects of the dextrorotatory isomer. Pantothenic acid is found in many foods, some of which are cream substitute, yellow bell pepper, corn, and atlantic mackerel. D018977 - Micronutrients > D014815 - Vitamins D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
L-Homocysteine, S-(2-((1-iminoethyl)amino)ethyl)-
Nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
Pantothenic Acid
D018977 - Micronutrients > D014815 - Vitamins D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
1,2,6,7-Tetrahydroxy-3-hydroxymethylhexahydro-5-methyl-1H-pyrrolizine
alminoprofen
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Alminoprofen (EB-382) is a nonsteroidal anti-inflammatory agent (NSAID) of the phenylpropionic acid class. Alminoprofen possesses a dual anti-inflammatory action, by inhibiting both secretory phospholipase A2 (sPLA2) and COX-2[1].
N-hydroxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine
7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1059
(1S*,2R*,3R*,5S*,7R*,7a*R)-3,5-dihydroxymethyl-1,2,7-trihydroxypyrrolizidine|hyacinthacine C3
(2R,3S,4E,6E)-7-(3-methylpyridin-2-yl)hepta-4,6-diene-2,3-diol|fuzanin D
3-(3-Methyl-2-butenyl)-6-amino-3,9-dihydro-2H-purine-2-one
2-Amino-4-hydroxy-4-(2-methylpropyl)pentanedioic acid
Me glycoside,N-Ac-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
Me glycoside,N-Ac-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose
Ritalinic acid
A monocarboxylic acid that is phenylacetic acid substituted by a piperidin-2-yl group at position 2. It is a metabolite of the drug methylphenidate. CONFIDENCE standard compound; EAWAG_UCHEM_ID 701
trans-Zeatin
The trans-isomer of zeatin. (e)-zeatin, also known as (E)-2-methyl-4-(1h-purin-6-ylamino)-2-buten-1-ol or n6-(4-hydroxyisopentenyl)adenine, is a member of the class of compounds known as 6-alkylaminopurines. 6-alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring (e)-zeatin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (e)-zeatin can be found in a number of food items such as chia, cornmint, java plum, and small-leaf linden, which makes (e)-zeatin a potential biomarker for the consumption of these food products. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 24 INTERNAL_ID 24; CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 0.451 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.449 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.442 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.444 Acquisition and generation of the data is financially supported by the Max-Planck-Society CONFIDENCE standard compound; ML_ID 56 trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation. trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation. trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation. trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation.
Trans-Zeatin-[d5]
Acquisition and generation of the data is financially supported by the Max-Planck-Society
aniracetam
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent Same as: D01883 Aniracetam (Ro 13-5057) is an orally active neuroprotective agent, possessing nootropics effects. Aniracetam potentiates the ionotropic quisqualate (iQA) responses in the CA1 region of rat hippocampal slices. Aniracetam also potentiates the excitatory post synaptic potentials (EPSPs) in Schaffer collateral-commissural synapses. Aniracetam can prevents the CO2-induced impairment of acquisition in hypercapnia model rats. Aniracetam can be used to research cerebral dysfunctional disorders[1][2][3][4].
D-Pantothenic acid
D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
Sodium pantothenate
D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
FEN_220.0944_12.9
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 603
Pantothenic Acid
A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; GHOKWGTUZJEAQD-UHFFFAOYSA-N_STSL_0009_Panthothenate_0500fmol_180410_S2_LC02_MS02_49; 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. CONFIDENCE standard compound; INTERNAL_ID 123 D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
C12H13NO3_1H-Indole-3-propanoic acid, alpha-hydroxy-beta-methyl
Zeatin
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation. trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation. trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation. trans-Zeatin is a plant cytokinin, which plays an important role in cell growth, differentiation, and division; trans-Zeatin also inhibits UV-induced MEK/ERK activation.
pantothenate
CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2028; ORIGINAL_PRECURSOR_SCAN_NO 2025 D018977 - Micronutrients > D014815 - Vitamins CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2045; ORIGINAL_PRECURSOR_SCAN_NO 2043 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2007; ORIGINAL_PRECURSOR_SCAN_NO 2005 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2020; ORIGINAL_PRECURSOR_SCAN_NO 2018 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2022; ORIGINAL_PRECURSOR_SCAN_NO 2020 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2020; ORIGINAL_PRECURSOR_SCAN_NO 2018 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4240; ORIGINAL_PRECURSOR_SCAN_NO 4238 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4241; ORIGINAL_PRECURSOR_SCAN_NO 4239 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4259; ORIGINAL_PRECURSOR_SCAN_NO 4257 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4274; ORIGINAL_PRECURSOR_SCAN_NO 4273 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4270; ORIGINAL_PRECURSOR_SCAN_NO 4268 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4269; ORIGINAL_PRECURSOR_SCAN_NO 4266 D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
Nigellimine N-oxide
Minor alkaloid from the seeds of Nigella sativa (blcak cumin). Nigellimine N-oxide is found in herbs and spices.
2,3-dihydro-6-Methyl-5-(4-oxopentanoyl)-1H-pyrrolizine
3-[(dimethylamino)methyl]-1-benzofuran-2-carboxylic acid
methyl (4s,5s)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
1-Methyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
(2-CHLORO-6-METHYL-PYRIMIDIN-4-YL)-ISOPROPYL-AMINE
1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
ENDO-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL METHANESULFONATE
2,4-Diamino-6-[2-(2-methyl-1-imidazolyl)ethyl]-1,3,5-triazine
1-(PHENYLMETHYL)-3-AZETIDINECARBOXYLIC ACID ETHYL ESTER
ETHYL 5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
5-PHENYL-PYRROLIDINE-3-CARBOXYLIC ACID ETHYL ESTER
BOC-S-HABA BUTANOIC ACID,4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-HYDROXY-, (2S)- (9CI)
(S)-2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPIPERIDIN-1-YL)ACETICACID
3-AMINO-3-(5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPIONIC ACID
2-((tert-Butoxycarbonyl)amino)-3-methoxypropanoic acid
2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetic acid
2-[3-(4-METHOXY-PHENYL)-[1,2,4]OXADIAZOL-5-YL]-ETHYLAMINE
(S)-tert-Butyl (1-hydrazinyl-3-hydroxy-1-oxopropan-2-yl)carbamate
Methyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)cyclopent-2-ene-1-carboxylate
tert-butyl (2S)-2-(chloromethyl)pyrrolidine-1-carboxylate
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-allothreonine
5-ethyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
(2-Methoxyphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
4-Isoxazolecarboxylic acid,4,5-dihydro-3-methyl-4-(4-methylphenyl)-,(-)-
(3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-hydroxybutanoic acid
2-[(1S)-3-HYDROXY-1-METHYLPROPYL]-1H-ISOINDOLE-1,3(2H)-DIONE
3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid
3,4-dihydro-4,4-dimethyl-7-nitro-naphthalen-1(2H)-one
6,7-DIMETHOXY-1-VINYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE
Ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylate
ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl
diendo-3-amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride
Oxiranemethanamine, N-(2-methylphenyl)-N-(oxiranylmethyl)-
4-[(Cyclopropylcarbonyl)amino]-3-methylbenzoic acid
1-(Azetidin-1-yl)-2-(piperazin-1-yl)ethanone hydrochloride
1-(3,4-DIMETHOXYBENZYL)-3,4-DIHYDRO-6,7-DIMETHOXYISOQUINOLINIUMCHLORIDE
1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-amine(SALTDATA: 1.25HCl 0.5H2O)
1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-amine
ethyl 2-(3-amino-4-methylpyridin-2-yl)-2-cyanoacetate
Quinoline, 1-(ethoxyacetyl)-1,2,3,4-tetrahydro- (9CI)
1H-2-Benzazepin-1-one,2-ethyl-2,3,4,5-tetrahydro-7-methoxy-(9CI)
(3R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
6,7-Dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one hydrochloride (1:1)
2-Acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
ethyl 3-exo-aminobicyclo[2.2.1]heptane-2-exo-carboxylate hydrochloride
6-Fluoro-2-[(2R)-2-pyrrolidinylmethyl]-1H-pyrrolo[2,3-b]pyridine
6-Fluoro-2-[(2S)-2-pyrrolidinylmethyl]-1H-pyrrolo[2,3-b]pyridine
(R)-TERT-BUTYL 3-(CHLOROMETHYL)PYRROLIDINE-1-CARBOXYLATE
Pyrrolidine, 3,4-diethenyl-1-(trifluoroacetyl)-, cis- (9CI)
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-homoserine
trans-tert-butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
2-(2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)ACETIC ACID
3-(3-Aminopropyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
(2-(4-Methoxybenzyl)-2H-1,2,4-triazol-3-yl)methanol
(3S,4R)-tert-butyl 4-fluoro-3-hydroxypiperidine-1-carboxylate
1-CYCLOPROPYLMETHYL-PIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
5-METHOXY-1,2-DIMETHYL-1H-INDOLE-3-CARBOXYLIC ACID
ETHYL 1-METHYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBOXYLATE
3-[(3,4-dimethylphenyl)carbamoyl]prop-2-enoic acid
tert-butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate hydrochloride
ethyl 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylate
(2R,4R)-n-Boc-2-(Fluoromethyl)-4-hydroxypyrrolidine
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, (2S,3S)-
(1S,3aR,6aS)-ethyloctahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride
(+)-3,4,4A,5,6,10B-HEXAHYDRO-9-METHOXY-2H-NAPHTHO[1,2-B][1,4]OXAZIN-3-ONE
3-(cyclopropanecarbonylamino)-4-methylbenzoic acid
1-[(tert-butoxy)carbonyl]-3-fluoroazetidine-3-carboxylic acid
tert-Butyl 3-fluoro-4-hydroxypiperidine-1-carboxylate
ETHYL 4-(DICYANOMETHYLENE)PIPERIDINE-1-CARBOXYLATE
10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carbonitrile
1-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid(SALTDATA: FREE)
C-[1-(4-Fluoro-phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-methylamine
5-AMINO-6-BROMO-1,3-DIMETHYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE
1-(2-FURYLMETHYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
Spiro[piperidine-4,4-pyrido[2,3-d][1,3]oxazin]-2(1H)-one
(2R)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Carbamic acid, (4-cyano-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
2-[(1r)-3-hydroxy-1-methylpropyl]-1h-isoindole-1,3(2h)-dione
2-[(Cyclopropylcarbonyl)amino]-3-methylbenzoic acid
(R)-3-((TERT-BUTOXYCARBONYL)AMINO)-4-HYDROXYBUTANOIC ACID
2-Amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid
Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate
Fuzanin D
A diol that is hepta-4,6-diene-2,3-diol substituted by a 3-methylpyridin-2-yl group at position 7 (the 2R,3S,4E,6E stereoisomer). It is isolated from the culture broth of Kitasatospora sp. IFM10917 and exhibits cytotoxicity against human colon carcinoma cells.
L-pentahomomethionine
An L-polyhomomethionine in which there are seven methylene groups between the alpha-carbon and sulfur atoms.
5-[(2S,3S,4R)-3,4-bis(azaniumyl)thiolan-2-yl]pentanoate
Nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
N-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-methylbutanamide
A natural product found in Cystobacter ferrugineus.
9-(Methylsulfinyl)nonamide
A monocarboxylic acid amide that is nonanamide acid in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group.
L-pentahomomethionine zwitterion
An L-polyhomomethionine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-pentahomomethionine; major species at pH 7.3.
N-PHENYL-1-NAPHTHYLAMINE
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D009676 - Noxae > D002273 - Carcinogens
5-methoxy-2-methyl-3-indoleacetic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
1-(2,3-Dihydro-6-methyl-1H-pyrrolizin-5-yl)-1,4-pentanedione
pentahomomethionine zwitterion
Zwitterionic form of pentahomomethionine.
(2r)-2-amino-n-[(3s,4r,5r,6s)-5-amino-4,6-dihydroxyoxan-3-yl]propanimidic acid
14,15-dihydrovirosecurinine
{"Ingredient_id": "HBIN001319","Ingredient_name": "14,15-dihydrovirosecurinine","Alias": "NA","Ingredient_formula": "C13H17NO2","Ingredient_Smile": "C1CCN2C3CCC4=CC(=O)OC4(C3)C2C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5737","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7_dimethoxy_2_methylisocarbostyril
{"Ingredient_id": "HBIN012078","Ingredient_name": "6,7_dimethoxy_2_methylisocarbostyril","Alias": "NA","Ingredient_formula": "C12H13NO3","Ingredient_Smile": "CN1C=CC2=CC(=C(C=C2C1=O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41093","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
