Exact Mass: 214.1317
Exact Mass Matches: 214.1317
Found 500 metabolites which its exact mass value is equals to given mass value 214.1317,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Harmaline
Harmaline is a harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. It has a role as a oneirogen. It derives from a hydride of a harman. Harmaline is a natural product found in Passiflora pilosicorona, Passiflora boenderi, and other organisms with data available. A beta-carboline alkaloid isolated from seeds of PEGANUM. A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. Harmaline is found in fruits. Harmaline is an alkaloid from Passiflora incarnata (maypops D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID H027; [MS2] KO008994 KEIO_ID H027
Dethiobiotin
Dethiobiotin is a synthetic metabolite that mimic the effects of biotin on gene expression and thus have biotin-like activities. In mammals, biotin serves as a coenzyme for carboxylases such as propionyl-CoA carboxylase. (PMID 12730407) [HMDB]. Dethiobiotin is found in many foods, some of which are agave, garden onion, lime, and black mulberry. Dethiobiotin is a synthetic metabolite that mimic the effects of biotin on gene expression and thus have biotin-like activities. In mammals, biotin serves as a coenzyme for carboxylases such as propionyl-CoA carboxylase. (PMID 12730407). D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D050258 - Mitosis Modulators > D008934 - Mitogens KEIO_ID D075; [MS3] KO009104 KEIO_ID D075; [MS2] KO009103 KEIO_ID D075 D-Desthiobiotin is a biotin derivative used in affinity chromatography and protein chromatography. D-Desthiobiotin also can be used for protein and cell labeling, detection and isolation[1].
Methyl 2-diazoacetamidohexonate
A diazonium ion that is diazotized methyl glycyl-L-norleucinate.
3-Oxododecanoic acid
In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. 3-Oxo-Dodecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, 3-Oxo-Dodecanoic acid is converted form Malonic acid via three enzymes; 3-oxoacyl-[acyl-carrier-protein] synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier-protein synthase II. (EC:2.3.1.41, E.C: 2.3.1.85, 2.3.1.179) [HMDB] In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. 3-Oxo-Dodecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, 3-Oxo-Dodecanoic acid is converted form Malonic acid via three enzymes; 3-oxoacyl-[acyl-carrier-protein] synthase, fatty-acid Synthase and beta-ketoacyl -acyl-carrier-protein synthase II. (EC:2.3.1.41, E.C: 2.3.1.85, 2.3.1.179).
(2S)-2-Ethyl-8-methyl-1-thia-4,8-diazaspiro[4,5]decan-3-one
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018679 - Cholinergic Agonists
Valylproline
Valylproline is a dipeptide composed of valine and proline. 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.
Prolyl-Valine
Prolyl-Valine is a dipeptide composed of proline and valine. 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.
Velnacrine
Velnacrine belongs to the family of Acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocyle which consists of two benzene rings joined by a pyridine ring. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid
5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun
alpha-Carboxy-delta-decalactone
alpha-Carboxy-delta-decalactone is found in milk and milk products. alpha-Carboxy-delta-decalactone is a possible latent butter aroma compoun
2-Carboxy-5,7-dimethyl-4-octanolide
2-Carboxy-5,7-dimethyl-4-octanolide is found in milk and milk products. 2-Carboxy-5,7-dimethyl-4-octanolide is a possible latent butter aroma compoun
4-Acetoxy-2-hexyltetrahydrofuran
4-Acetoxy-2-hexyltetrahydrofuran 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
Fenyramidol
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
2-(2-Ethyl-3H-1-benzofuran-2-yl)-1H-imidazole
Tert-butyl N-[2-(prop-2-enamido)ethyl]carbamate
3,4-Dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxaldehyde
1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
(-)-Lindenene
Dihydropyrocurzerenone
Dihydropyrocurzerenone is a natural product found in Commiphora gileadensis and Commiphora sphaerocarpa with data available.
Harmaline
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.572 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.569 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.563 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.565 D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
(all-E)-1,4,8,10-Pentadecatetraen-6-yn-3-one|Pentadeca-1,4t,8t,10t-tetraen-6-in-3-on|pentadeca-1,4t,8t,10t-tetraen-6-yn-3-one
(E,E)-1,8,10-Pentadecatriene-4,6-diyn-3-ol|pentadeca-1,8t,10t-triene-4,6-diyn-3-ol|Pentadecatrien-(1,8t,10t)-diin-(4,6)-ol-(3)|trans.trans-Pentadecatrien-(1.8.10)-diin-(4.6)-ol-(3)
3-(1-hydroxyethyl)-6-(2-methylpropyl)piperazine-2,5-dione
5,6,8,9-tetrahydro-6,6,8-trimethylazuleno<5,6-c>furan|5,6,8,9-tetrahydro-6,6,8-trimethylazuleno[5,6-c]furan
(E,E)-8,10,14-Pentadecatriene-4,6-diyn-3-ol|Pentadeca-8,10,14-trien-4,6-diin-3-ol|pentadeca-8t,10t,14-triene-4,6-diyn-3-ol|trans.trans-Pentadecatrien-(8.10.14)-diin-(4.6)-ol-(3)
(7E,13E)-7,13-Pentadecadiene-9,11-diyn-6-one|pentadeca-7t,13t-diene-9,11-diyn-6-one
14-Hydroxy-guai-1,3,5,9,11-pentaen|dihydroazulene alcohol
(5E,7E,13E)-5,7,13-Pentadecatriene-9,11-diyn-4-ol|(all-E)-5,7,13-Pentadecatriene-9,11-diyn-4-ol|all-trans-Pentadecatrien-(2.8.10)-diin-(4.6)-ol-(12)|pentadeca-5t,7t,13t-triene-9,11-diyn-4-ol|pentadeca-trans-2,trans-8,trans-10-triene-4,6-diyn-12-ol|Pentadecatrien-(2t,8t,10t)-diin-(4,6)-ol-(12)
7,8-Ethylene-3a,8a-dimethyl-1,2,3,8-tetrahydropyrrolo[2,3-b]indole
1-methyl-3-propan-2-ylcyclopentane-1,2-dicarboxylic acid
2-Acetyl-1-glykoloyl-1--hydrazin|2-Acetyl-1-glykoloyl-1-[hexen-(1cis)-yl]-hydrazin|geralcin E
(5R)-5-(1-ethoxypropyl)-5-hydroxy-3,4-dimethylfuran-2(5H)-one
1-n-Propyl-1,2,3,4-tetrahydro-beta-carbolin|1-propyl-1,2,3,4-tetrahydro-beta-carboline|1-propyl-2,3,4,9-tetrahydro-1H-beta-carboline|komaroidine
(2R,4S)-4-acetoxy-2-hydroxy-2,6,6-trimethylcyclohexanone
(Z,Z)-2,9-Pentadecadiene-4,6-diyn-1-al|pentadeca-2c,9c-diene-4,6-diynal
(7E,13E)-7,13-Pentadecadiene-9,11-diyn-4-one|(E,E)-7,13-Pentadecadiene-9,11-diyn-4-one|pentadeca-7t,13t-diene-9,11-diyn-4-one|pentadeca-trans-2,trans-8-diene-4,6-diyn-12-one|Pentadecadien-(7t,13t)-diin-(9,11)-on-(4)
6-Methoxymethyl-3-methoxy-2-methyl-1,7-octadiene-6-ol
(+/-)-4,6,7,9a-tetrahydro-6,6,9a-trimethylnaphtho<1,2-b>furan|axinellin-B
dethiobiotin
A hexanoic acid having a 5-methyl-2-oxoimidazolidin-4-yl group at the 6-position. D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D050258 - Mitosis Modulators > D008934 - Mitogens D-Desthiobiotin is a biotin derivative used in affinity chromatography and protein chromatography. D-Desthiobiotin also can be used for protein and cell labeling, detection and isolation[1].
7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
Piliformic-acid
[Raw Data] CBA57_Piliformic-a_pos_40eV.txt [Raw Data] CBA57_Piliformic-a_pos_30eV.txt [Raw Data] CBA57_Piliformic-a_pos_20eV.txt [Raw Data] CBA57_Piliformic-a_pos_10eV.txt
(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based on: CCMSLIB00000847722]
(2S)-2-[(1S)-1-hydroxypentyl]-4-methoxy-2,3-dihydropyran-6-one [IIN-based: Match]
(2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one_major
pro-val
A dipeptide formed from L-proline and L-valine residues.
Val-pro
A dipeptide formed from L-valine and L-proline residues.
ethyl 2-(piperidine-4-carboxamido)acetate hydrochloride
Silane, [(3-ethoxy-4-ethyl-1-cyclobuten-1-yl)oxy]trimethyl- (9CI)
Pyrimido[1,6-a]indole, 7-ethyl-1,2,3,4-tetrahydro-5-methyl- (9CI)
Pyrimido[1,2-a]indole, 10-ethyl-2,3,4,10-tetrahydro-3-methyl- (9CI)
Pyrimido[1,2-a]indole, 10-ethyl-1,2,3,4-tetrahydro-3-methyl- (9CI)
(1,4-Dioxa-spiro[4.5]dec-8-YL)-acetic acid Methyl ester
Methyl 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl) propionate
2-P-Tolyl-4,5,6,7-Tetrahydro-Oxazolo[5,4-C]Pyridine
ethyl (E)(S)-3-(2,2-dimethyl[1,3]dioxolane-4-yl)-2-methylacrylate
3,5-dimethyl-1-(3-methylphenyl)pyrazole-4-carbaldehyde
1-(3,5-DIMETHYL-1-PHENYL-1H-4-PYRAZOLYL)-1-ETHANONE
3-Pyridinecarboxamide,1,4-dihydro-1-(phenylmethyl)-
4-Methyl-3-oxo-piperazine-1-carboxylic acid tert-butyl ester
(4-OXO-5,6,7,8-TETRAHYDRO-4H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-3-YL)-ACETICACIDMETHYLESTER
5-METHYL-3-(PIPERIDIN-4-YL)-1H-INDOLE HYDROCHLORIDE
2-ACETYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
4-(N,N-Diethyl)-2-methyl-p-phenylenediamine monohydrochloride
N1-(4,6-DIMETHYLPYRIMIDIN-2-YL)BENZENE-1,4-DIAMINE
Pentitol,1,5-anhydro-2,4-dideoxy-2-pentyl-, 3-acetate
ethyl (Z)(R)-4,5-O-isopropylidene-4,5-dihydroxy-2-methylpent-2-enoate
tert-Butyl 4-(hydroxyimino)piperidine-1-carboxylate
(R)-TERT-BUTYL (1-METHYL-2-OXOPYRROLIDIN-3-YL)CARBAMATE
ETHYL1-TERT-BUTYL-5-FLUORO-1H-PYRAZOLE-3-CARBOXYLATE
(S)-2-Azido-propionic acid cyclohexylamMonium salt
2,3-Dihydro-7-methoxy-1H-cyclopenta[b]quinolin-9-amine
1H-Indole,1-methyl-3-(1-methyl-3-pyrrolidinyl)-(9CI)
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl acetate
1-PIPERAZINECARBOXYLIC ACID,4-FORMYL-,1,1-DIMETHYLETHYL ESTER
2,5-DIMETHYL-1-PYRIDIN-3-YLMETHYL-1H-PYRROLE-3-CARBALDEHYDE
3,4-dihydro-6-[(tert-butyl)dimethyl silyloxy]-2h-pyran
3-(METHOXYCARBONYL)-1,2,2-TRIMETHYLCYCLOPENTANE-1-CARBOXYLIC ACID
3-(METHOXYCARBONYL)-2,2,3-TRIMETHYLCYCLOPENTANE-1-CARBOXYLIC ACID
2-[([5-[(Dimethylamino)methyl]-2-furyl]methyl)thio]ethan-1-amine
3-(Dimethylamino)-2-(4-methylbenzoyl)acrylonitrile
2-(2-tert-Butyl-6-methylpyran-4-ylidene)malononitrile
(3aR,5R,6S,6aR)-5-allyl-6-methoxy-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole
(1Z)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one oxime
3,6-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]octane-6-acetate
tert-butyl-(3,6-dihydro-2H-pyran-4-yloxy)-dimethylsilane
2-(2-FURYL)-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE
1H-Imidazole,4-[2-(2,6-dimethylphenyl)ethyl]-5-methyl-(9CI)
1H-Imidazole,4,5-dihydro-2-(1,2,3,4-tetrahydro-1-methyl-1-naphthalenyl)-(9CI)
2,5-dimethyl-1-(4-methylpyridin-2-yl)pyrrole-3-carbaldehyde
6,9-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
2-[1-(Carboxymethyl)-3-methylcyclohexyl]acetic acid
6-Methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
6-(1-Hydroxy-pentyl)-4-methoxy-5,6-dihydro-pyran-2-one
2-Methoxy-N-(3-oxo-3-(pyrrolidin-1-yl)propyl)acetamide
2-(2-Methyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)ethanamine
1,2,3,4-Tetrahydro-2,3,5-trimethylpyrimido(3,4-a)indole
PYRIMIDO(3,4-a)INDOLE, 1,2,3,4-TETRAHYDRO-2,5,7-TRIMETHYL-
Fenyramidol
M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
(9S)-1,5,9-trimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran
3-pyridin-4-yl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
9-Ethyl-1,2,4,5-tetrazaspiro[5.5]undecane-3-thione
3-[(2-Aminoethyl)thio]-6-ethyl-1-azabicyclo[3.2.0]heptan-7-one
3-(Dimethylfluorosilyl)-3,7-dimethyl-1,6-octadiene
2,2,4-Trimethyl-1,2,3,4-tetrahydro-gamma-carboline
1-Methyl-1-cyclohexanecarboxylic acid trimethylsilyl ester
Methyl 3,5-dihydro-3-ethenyl-5-methyl-6-heptenoate
Desthiobiotin
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D050258 - Mitosis Modulators > D008934 - Mitogens D-Desthiobiotin is a biotin derivative used in affinity chromatography and protein chromatography. D-Desthiobiotin also can be used for protein and cell labeling, detection and isolation[1].
Velnacrine
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D004791 - Enzyme Inhibitors
6-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
2-methoxy-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]acetamide
A monocarboxylic acid amide that is acetamide substituted by a methoxy group at position 2 and a 3-oxo-3-(pyrrolidin-1-yl)propyl group at the nitrogen atom.
7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole
(3s,4ar,7s,7as)-3-ethoxy-7-hydroxy-7-methyl-hexahydrocyclopenta[c]pyran-1-one
(3ar,6r,7as)-3a,6-dihydroxy-4,4,7a-trimethyl-tetrahydro-1-benzofuran-2-one
[5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol
[4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulen-1-yl]methanol
(6s)-6-[(1s)-1-hydroxypentyl]-4-methoxy-5,6-dihydropyran-2-one
4-[5-(1-hydroxypropyl)oxolan-3-yl]but-2-enoic acid
3-(4-methoxyphenyl)-4h,5h,6h-pyrrolo[1,2-b]pyrazole
(8r)-1,2,5,8-tetramethyl-6h,7h,8h-indeno[5,4-b]furan
(1r,4s,6r)-4-methoxy-4-pentyl-3,7-dioxabicyclo[4.1.0]heptan-2-one
3-ethoxy-7-hydroxy-7-methyl-hexahydrocyclopenta[c]pyran-1-one
(8as)-3,8a-dimethyl-5-methylidene-4h,4ah,6h,9h-naphtho[2,3-b]furan
(4ar,7ar)-3,8-dimethyl-5-methylidene-4h,4ah,6h,7h,7ah-azuleno[6,5-b]furan
1-tert-Butyl-7-methoxynaphthalene
{"Ingredient_id": "HBIN003336","Ingredient_name": "1-tert-Butyl-7-methoxynaphthalene","Alias": "Naphthalene, 1-(1,1-dimethylethyl)-7-methoxy-; 1-tert-butyl-7-methoxy-naphthalene","Ingredient_formula": "C15H18O","Ingredient_Smile": "CC(C)(C)C1=CC=CC2=C1C=C(C=C2)OC","Ingredient_weight": "214.3 g/mol","OB_score": "27.4637603","CAS_id": "NA","SymMap_id": "SMIT07298","TCMID_id": "NA","TCMSP_id": "MOL005556","TCM_ID_id": "NA","PubChem_id": "608110","DrugBank_id": "NA"}
4,5-dihydropyrocurzerenone
{"Ingredient_id": "HBIN010011","Ingredient_name": "4,5-dihydropyrocurzerenone","Alias": "NA","Ingredient_formula": "C15H18O","Ingredient_Smile": "CC1CCC2=C(C1)C3=C(C=C2C)OC=C3C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5696","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4aS,8aS)-3,5,8a-trimethyl-4a,9-dihydro-4H-benzo[f]benzofuran
{"Ingredient_id": "HBIN010250","Ingredient_name": "(4aS,8aS)-3,5,8a-trimethyl-4a,9-dihydro-4H-benzo[f]benzofuran","Alias": "(4aS,8aS)-3,5,8a-trimethyl-4a,9-dihydro-4H-benzo[f][1]benzoxole; naphtho[2,3-b]furan, 4,4a,8a,9-tetrahydro-3,5,8a-trimethyl-, (8aS)-; (8aS)-3,5,8a-trimethyl-4,4a,8a,9-tetrahydronaphtho[2,3-b]furan; InChI=1/C15H18O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h4-6,9,13H,7-8H2,1-3H3/t13?,15-/m1/s","Ingredient_formula": "C15H18O","Ingredient_Smile": "NA","Ingredient_weight": "214.3","OB_score": "27.70192824","CAS_id": "87605-93-4","SymMap_id": "SMIT03591","TCMID_id": "NA","TCMSP_id": "MOL001122","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxycalamenone
{"Ingredient_id": "HBIN013273","Ingredient_name": "7-hydroxycalamenone","Alias": "NA","Ingredient_formula": "C15H18O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31165","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-Hydroxycadalene
{"Ingredient_id": "HBIN013773","Ingredient_name": "8-Hydroxycadalene","Alias": "NA","Ingredient_formula": "C15H18O","Ingredient_Smile": "CC1=C2C(=CC(=CC2=C(C=C1)C(C)C)C)O","Ingredient_weight": "214.3 g/mol","OB_score": "21.45951982","CAS_id": "NA","SymMap_id": "SMIT06267","TCMID_id": "NA","TCMSP_id": "MOL004330","TCM_ID_id": "NA","PubChem_id": "14107524","DrugBank_id": "NA"}
