Exact Mass: 182.0725
Exact Mass Matches: 182.0725
Found 64 metabolites which its exact mass value is equals to given mass value 182.0725,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
Atractydin
Atractylodin is a member of furans. Atractylodin is a natural product found in Atractylodes japonica, Atractylodes macrocephala, and other organisms with data available. Atractylodin (Atractydin) is an active component of the essential oil contained in the rhizomes of Atractylodes lancea and A. chinensis. Atractylodin is natural insecticide and is active against Tribolium castaneum[1][2]. Atractylodin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Atractylodin (Atractydin) is an active component of the essential oil contained in the rhizomes of Atractylodes lancea and A. chinensis. Atractylodin is natural insecticide and is active against Tribolium castaneum[1][2]. Atractylodin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Benzophenone
Benzophenone is the organic compound with the formula (C6H5)2CO, generally abbreviated Ph2CO. It is a widely used building block in organic chemistry, being the parent diarylketone. Benzophenone is found in fruits. Benzophenone is present in grapes and it is also used as a flavouring agent. Benzophenone is a common photosensitizer in photochemistry. It crosses from the S1 state into the triplet state with nearly 100\\\\% yield. The resulting diradical will abstract a hydrogen atom from a suitable hydrogen donor to form a ketyl radical. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents CONFIDENCE standard compound; INTERNAL_ID 15 D003879 - Dermatologic Agents Benzophenone is an endogenous metabolite. Benzophenone is an endogenous metabolite.
9-Hydroxyfluorene
This compound belongs to the family of Fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. 9-Fluorenol (9-Hydroxyfluorene; compound 3) is a dopamine (DAT) inhibitor with IC50 value of 9 μM. 9-Fluorenol is a major metabolite of compound developed as a wake promoting agent. 9-Fluorenol shows wake promotion activity in vivo[1].
2-Hydroxyfluorene
2-Hydroxyfluorene (2-OHF) is a metabolite of fluorene. Fluorene is one of the most abundant polycyclic aromatic hydrocarbons (PAHs) throughout the gas phase in the environment, especially in tobacco smoke condensate. 2-OHF is an effective biomarker for evaluating the exposure to PAHs from smoking. It has been found in urine [HMDB] 2-Hydroxyfluorene (2-OHF) is a metabolite of fluorene. Fluorene is one of the most abundant polycyclic aromatic hydrocarbons (PAHs) throughout the gas phase in the environment, especially in tobacco smoke condensate. 2-OHF is an effective biomarker for evaluating the exposure to PAHs from smoking. It has been found in urine. CONFIDENCE standard compound; INTERNAL_ID 1094; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4793; ORIGINAL_PRECURSOR_SCAN_NO 4790 CONFIDENCE standard compound; INTERNAL_ID 1094; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4811; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 1094; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4829; ORIGINAL_PRECURSOR_SCAN_NO 4826 CONFIDENCE standard compound; INTERNAL_ID 1094; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4793 CONFIDENCE standard compound; INTERNAL_ID 1094; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4823; ORIGINAL_PRECURSOR_SCAN_NO 4821 CONFIDENCE standard compound; INTERNAL_ID 1094; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4758; ORIGINAL_PRECURSOR_SCAN_NO 4754
3-Hydroxyfluorene
This compound belongs to the family of Fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene.
3-Phenyl benzaldehyde
3-phenyl benzaldehyde belongs to biphenyls and derivatives class of compounds. Those are organic compounds containing to benzene rings linked together by a C-C bond. 3-phenyl benzaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-phenyl benzaldehyde can be found in ginger, which makes 3-phenyl benzaldehyde a potential biomarker for the consumption of this food product.
4-Phenylbenzaldehyde
4-phenylbenzaldehyde belongs to biphenyls and derivatives class of compounds. Those are organic compounds containing to benzene rings linked together by a C-C bond. 4-phenylbenzaldehyde is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-phenylbenzaldehyde can be found in ginger, which makes 4-phenylbenzaldehyde a potential biomarker for the consumption of this food product.
Ponticaepoxide
Ponticaepoxide is a member of the class of compounds known as epoxides. Epoxides are compounds containing a cyclic ether with three ring atoms(one oxygen and two carbon atoms). Ponticaepoxide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ponticaepoxide can be found in chicory, which makes ponticaepoxide a potential biomarker for the consumption of this food product.
(2E,6Z)-2,5-Dihydro-2-(6,8-nonadien-2,4-diynylidene)furan
(E)-7-phenyl-2-hepten-4,6-diyn-1-ol|(E)-7-Phenyl-2-heptene-4,6-diyn-1-ol|1-Phenyl-hepten-(5)-trans-diin-(1.3)-ol-(7)|7-hydroxy-1-phenyl-hept-5E-ene-1,3-diyne|7-Phenyl-2-heptene-4,6-diyn-1-ol|7-Phenyl-hept-2t-en-4,6-diin-1-ol|7-phenyl-hept-2t-ene-4,6-diyn-1-ol|trans-1-Hydroxy-7-phenyl-hepten-(2)-diin-(4,6)|trans-7-Phenyl-hepten-(2)-diin-(4.6)-ol-(1)
(Z)-2,3-Dihydro-2-(1-nonene-3,5,7-triynyl)furan|1-(2,3-Dihydro-furyl-(2))-nonen-(1)-triin-(3,5,7)|1-<2,3-Dihydro-furyl-(2)>-nonen-(1)-triin-(3,5,7)
(E)-2-(6,8-Nonadiene-2,4-diynyl)furan|2-(6,8-Nonadiene-2,4-diynyl)furan
1-[2]Furyl-3-phenyl-allen|1-[2]furyl-3-phenyl-allene
(12S?)-12,13-Epoxy-trideca-2t,10t-dien-4,6,8-triin|(12S?)-12,13-Epoxy-trideca-2t,10t-dien-4,6,8-triin; (2S?)-1,2-Epoxy-trideca-3t,11t-dien-5,7,9-triin|1,2-Epoxide-1,3,11-Tridecatriene-5,7,9-triyne|12,13-Epoxy-tridecadien-(2,10)-triin-(4,6,8)|Undeca-1,9-dien-3,5,7-triinyl-oxiran|undeca-1,9-diene-3,5,7-triynyl-oxirane
3-Hydroxyfluorene
CONFIDENCE standard compound; INTERNAL_ID 1043; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4796; ORIGINAL_PRECURSOR_SCAN_NO 4793 CONFIDENCE standard compound; INTERNAL_ID 1043; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4823; ORIGINAL_PRECURSOR_SCAN_NO 4821 CONFIDENCE standard compound; INTERNAL_ID 1043; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4758; ORIGINAL_PRECURSOR_SCAN_NO 4754 CONFIDENCE standard compound; INTERNAL_ID 1043; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4793; ORIGINAL_PRECURSOR_SCAN_NO 4790 CONFIDENCE standard compound; INTERNAL_ID 1043; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4829; ORIGINAL_PRECURSOR_SCAN_NO 4826 CONFIDENCE standard compound; INTERNAL_ID 1043; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4811; ORIGINAL_PRECURSOR_SCAN_NO 4806
Atractylodin
Atractylodin (Atractydin) is an active component of the essential oil contained in the rhizomes of Atractylodes lancea and A. chinensis. Atractylodin is natural insecticide and is active against Tribolium castaneum[1][2]. Atractylodin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Atractylodin (Atractydin) is an active component of the essential oil contained in the rhizomes of Atractylodes lancea and A. chinensis. Atractylodin is natural insecticide and is active against Tribolium castaneum[1][2]. Atractylodin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
BENZOPHENONE
The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents D003879 - Dermatologic Agents Benzophenone is an endogenous metabolite. Benzophenone is an endogenous metabolite.
9-fluorenol
A member of the class of hydroxyfluorenes that is 9H-fluorene substituted by a hydroxy group at position 9 (the non-aromatic carbon). 9-Fluorenol (9-Hydroxyfluorene; compound 3) is a dopamine (DAT) inhibitor with IC50 value of 9 μM. 9-Fluorenol is a major metabolite of compound developed as a wake promoting agent. 9-Fluorenol shows wake promotion activity in vivo[1].
2,3-dihydro-2-(1-nonene-3,5,7-triynyl)furan
{"Ingredient_id": "HBIN003982","Ingredient_name": "2,3-dihydro-2-(1-nonene-3,5,7-triynyl)furan","Alias": "NA","Ingredient_formula": "C13H10O","Ingredient_Smile": "CC#CC#CC#CC=CC1CC=CO1","Ingredient_weight": "182.22","OB_score": "NA","CAS_id": "2271-26-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8956","PubChem_id": "14465020","DrugBank_id": "NA"}
atractulodin
{"Ingredient_id": "HBIN017280","Ingredient_name": "atractulodin","Alias": "NA","Ingredient_formula": "C13H10O","Ingredient_Smile": "CC=CC#CC#CC=CC1=CC=CO1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33252","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
