Exact Mass: 198.0681
Exact Mass Matches: 198.0681
Found 67 metabolites which its exact mass value is equals to given mass value 198.0681,
within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error
8.0E-6 dalton.
3,4-Dihydroxyfluorene
A member of the class of hydroxyfluorenes that is 9H-fluorene substituted by hydroxy groups at positions 3 and 4.
1,2-Dihydroxyfluorene
A member of the class of hydroxyfluorenes that is 9H-fluorene substituted by hydroxy groups at positions 1 and 2.
Dehydrosafynol
Dehydrosafynol, also known as (2r,11e)-11-tridecene-3,5,7,9-tetrayne-1,2-diol, is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, dehydrosafynol is considered to be a fatty alcohol lipid molecule. Dehydrosafynol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dehydrosafynol can be found in safflower, which makes dehydrosafynol a potential biomarker for the consumption of this food product.
3-(2-Furanyl)-2-phenyl-2-propenal
3-(2-Furanyl)-2-phenyl-2-propenal is a flavourant for tobacco and food product Flavourant for tobacco and food products
trans-3-(5-Delta2,4-Hexadiinyl-furyl-(2))-acrolein|trans-3-<5-Delta2,4-Hexadiinyl-furyl-(2)>-acrolein
(-)-Trideca-3t,5c,7,8-tetraen-10,12-diinsaeure|(-)-trideca-3t,5c,7,8-tetraene-10,12-diynoic acid|3,5,7,8-Tridecatetraene-10,12-diynoic acid
(E)-3,6-Dihydro-6-(2,4,6-octatriynylidene)-2H-pyran-3-ol
PHENYL BENZOATE
CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3972; ORIGINAL_PRECURSOR_SCAN_NO 3968 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3965; ORIGINAL_PRECURSOR_SCAN_NO 3963 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3968; ORIGINAL_PRECURSOR_SCAN_NO 3966 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3961; ORIGINAL_PRECURSOR_SCAN_NO 3958 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3979; ORIGINAL_PRECURSOR_SCAN_NO 3975 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3991; ORIGINAL_PRECURSOR_SCAN_NO 3989
7-hexa-2,4-diynylidene-1,6-dioxa-spiro[4.4]nona-2,8-diene
2-Hydroxybenzophenone
CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4232; ORIGINAL_PRECURSOR_SCAN_NO 4229 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3841; ORIGINAL_PRECURSOR_SCAN_NO 3839 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3863; ORIGINAL_PRECURSOR_SCAN_NO 3861 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3888; ORIGINAL_PRECURSOR_SCAN_NO 3885 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4322; ORIGINAL_PRECURSOR_SCAN_NO 4320 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4238; ORIGINAL_PRECURSOR_SCAN_NO 4236
(5r,7z)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene
7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene
{"Ingredient_id": "HBIN012885","Ingredient_name": "7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene","Alias": "NA","Ingredient_formula": "C13H10O2","Ingredient_Smile": "CC#CC#CC=C1C=CC2(O1)CC=CO2","Ingredient_weight": "198.22","OB_score": "NA","CAS_id": "56319-19-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7513","PubChem_id": "5375536","DrugBank_id": "NA"}
annuadiepoxide
{"Ingredient_id": "HBIN016241","Ingredient_name": "annuadiepoxide","Alias": "NA","Ingredient_formula": "C13H10O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1334","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
