Exact Mass: 238.1501
Exact Mass Matches: 238.1501
Found 198 metabolites which its exact mass value is equals to given mass value 238.1501,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Pirimicarb
CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6664; ORIGINAL_PRECURSOR_SCAN_NO 6663 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6584; ORIGINAL_PRECURSOR_SCAN_NO 6582 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6632; ORIGINAL_PRECURSOR_SCAN_NO 6631 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6671; ORIGINAL_PRECURSOR_SCAN_NO 6669 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6662; ORIGINAL_PRECURSOR_SCAN_NO 6661 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6612; ORIGINAL_PRECURSOR_SCAN_NO 6610 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2711 CONFIDENCE standard compound; INTERNAL_ID 8417 CONFIDENCE standard compound; INTERNAL_ID 4039 CONFIDENCE standard compound; INTERNAL_ID 2577 D010575 - Pesticides > D007306 - Insecticides KEIO_ID P177; [MS3] KO009152 KEIO_ID P177; [MS3] KO009153 KEIO_ID P177; [MS2] KO009151 D016573 - Agrochemicals KEIO_ID P177
Agroclavine
An ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8.
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-Dimethyl-5-pentyl-2-furanpropanoic acid, in particular, can be described by the shorthand notation 3D5. This refers to its 3-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 5-carbon alkyl moiety. It has been identified in the fish liver.
Geranyl acetoacetate
Geranyl acetoacetate is a flavouring ingredient. Flavouring ingredient
Nomifensine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators Nomifensine is a norepinephrine-dopamine reuptake inhibitor that blocks dopamine and norepinephrine reuptake transporters to increase the amount of norepinephrine and dopamine provided to receptors by synapses.
4-(4-Aminophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
N,N-Dimethyl-4-(3-pyridin-4-ylprop-1-enyl)aniline
(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Nomifensine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators ORIGINAL_PRECURSOR_SCAN_NO 6773; CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6775 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6775; ORIGINAL_PRECURSOR_SCAN_NO 6773 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6815; ORIGINAL_PRECURSOR_SCAN_NO 6814 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6815; ORIGINAL_PRECURSOR_SCAN_NO 6812 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6843; ORIGINAL_PRECURSOR_SCAN_NO 6841 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6841; ORIGINAL_PRECURSOR_SCAN_NO 6839 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6852; ORIGINAL_PRECURSOR_SCAN_NO 6850 Nomifensine is a norepinephrine-dopamine reuptake inhibitor that blocks dopamine and norepinephrine reuptake transporters to increase the amount of norepinephrine and dopamine provided to receptors by synapses.
Pentaethylene glycol
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials 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 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5033; ORIGINAL_PRECURSOR_SCAN_NO 5030 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5065; ORIGINAL_PRECURSOR_SCAN_NO 5062 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6656; ORIGINAL_PRECURSOR_SCAN_NO 6654 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5078; ORIGINAL_PRECURSOR_SCAN_NO 5077 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6681; ORIGINAL_PRECURSOR_SCAN_NO 6677 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6680; ORIGINAL_PRECURSOR_SCAN_NO 6679
6alpha-acetyl-4beta,5beta-dimethyl-1(10)alpha-epoxy-7beta-hydroxydecalin|laevinol H
6alpha-acetyl-4beta,5beta-dimethyl-1(10)-ene-2alpha,7beta-dihydroxydecalin|laevinol C
(6S)-6-Isopropyl-3-methyl-9-oxo-2E,4E-decadiensaeure
13-hydroxy-rishitin|13-hydroxyrishitin|Rishitin M-1|Rishitin M1|Rislutin-M-1
4alpha,10beta-dihydroxy-1betaH,5alphaH-guai-6(7)-en-11-one
PIRIMICARB
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
C14H22O3_2-Naphthalenecarboxylic acid, 3,4,4a,5,6,7,8,8a-octahydro-3-hydroxy-5,5,8a-trimethyl
3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid
Metapramine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid_major
Geranyl acetoacetate
A monoterpenoid that is the carboxylic ester obtained by the formal condensation of geraniol with acetoacetic acid.
6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-2-amine
3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-nitrobenzene-1,3-diamine
tert-butyl 3-(3-amino-1H-pyrazol-5-yl)azetidine-1-carboxylate
4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-ylamine
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
tert-Butyl (4-amino-2-methylbutan-2-yl)carbamate hydrochloride
5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-2-amine
N-(4-AMINOBUTYL)-N-METHYL CARBAMIC ACID TERT-BUTYL ESTER-HCl
TERT-BUTYL 3-AMINO-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
(2Z,4E,6S)-6-Isopropyl-3-methyl-9-oxo-2,4-decadienoic acid
(2E,6ξ,7E)-6-Isopropyl-3-methyl-9-oxo-2,4-decadienoic acid
1H-Indole,2,3-dihydro-7-(1-methylethyl)-2-(3-pyridinyl)-(9CI)
2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)ETHANOL
tert-butyl3-(4-amino-1H-pyrazol-1-yl)azetidine-1-carboxylate
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
PhiKan 083 is a carbazole derivative, which binds to the surface cavity and stabilizes Y220C (a p53 mutant), with a Kd of 167 μM. PhiKan 083 can be used for cancer research[1].
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium
(2aS,3S,4aR,7aR,7bS)-3-hydroxy-6-(hydroxymethyl)-3,6-dimethyl-1,2,2a,4a,5,7,7a,7b-octahydrocyclobuta[e]inden-4-one
anisotanol B
A norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus.
anisotanol C
A norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus and displays antiangiogenic activity by inhibiting the viability, migration, and tube formation in HUVECs.
anisotanol D
A norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus.
(2E,4E,6R,8Z)-6-hydroxytetradeca-2,4,8-trienoic acid
6,6-Dimethyl-8alpha-(1-oxoethyl)-1alpha,5alpha-bicyclo(3.3.0)octan-2-one ethylene acetal
(2Z)-3,7-dimethylocta-2,6-dien-1-yl 3-oxobutanoate
3-(6-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propanoic acid
1-[(1ar,4r,4ar,5s,6s,8as)-6-hydroxy-4,4a-dimethyl-octahydronaphtho[4,4a-b]oxiren-5-yl]ethanone
1-(4,8-dihydroxy-4a,8-dimethyl-1,4,5,6,7,8a-hexahydronaphthalen-2-yl)ethanone
(2s,7r)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),3,9,12,14-pentaene
1-{6-hydroxy-4,4a-dimethyl-octahydronaphtho[4,4a-b]oxiren-5-yl}ethanone
(1r,3s,4s,5r)-5-[(1e,3e,5e)-hepta-1,3,5-trien-1-yl]-4-(hydroxymethyl)cyclohexane-1,3-diol
4-hydroxy-3-methyl-6-[(5s)-5-methylheptyl]pyran-2-one
(4s,5s,6r)-5,6-dihydroxy-4-isopropyl-6-methyl-2,3,4,5,7,8-hexahydronaphthalen-1-one
(2e,4e,6s)-6-isopropyl-3-methyl-9-oxodeca-2,4-dienoic acid
(4S,5S,6R)-5,6-dihydroxy-4-isopropyl-6-methyl-2,3,4,5,7,8-hexahydronaphthalen-1-one
{"Ingredient_id": "HBIN010899","Ingredient_name": "(4S,5S,6R)-5,6-dihydroxy-4-isopropyl-6-methyl-2,3,4,5,7,8-hexahydronaphthalen-1-one","Alias": "(4S,5S,6R)-5,6-dihydroxy-6-methyl-4-propan-2-yl-2,3,4,5,7,8-hexahydronaphthalen-1-one","Ingredient_formula": "C14H22O3","Ingredient_Smile": "NA","Ingredient_weight": "238.32","OB_score": "38.51146147","CAS_id": "363610-30-4","SymMap_id": "SMIT10490","TCMID_id": "NA","TCMSP_id": "MOL009347","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
