Exact Mass: 333.089556
Exact Mass Matches: 333.089556
Found 73 metabolites which its exact mass value is equals to given mass value 333.089556,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Ethalfluralin
C13H14F3N3O4 (333.09363600000006)
Flurtamone
CONFIDENCE standard compound; INTERNAL_ID 2318 CONFIDENCE standard compound; INTERNAL_ID 8438 CONFIDENCE standard compound; INTERNAL_ID 4064 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3600 EAWAG_UCHEM_ID 3600; CONFIDENCE standard compound
fumimycin
C16H15NO7 (333.08484799999997)
A member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a propenyl group at position 4, hydroxy groups at positions 5 and 6, methyl group at position 3 and a [(2E)-3-carboxyprop-2-enoyl]nitrilo group at position 3. Isolated from the fermentation broth of Aspergillus fumisynnematus F746, it exhibits antibacterial activity.
CI-959
CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4644; ORIGINAL_PRECURSOR_SCAN_NO 4643 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4658; ORIGINAL_PRECURSOR_SCAN_NO 4656 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4623; ORIGINAL_PRECURSOR_SCAN_NO 4622 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4643; ORIGINAL_PRECURSOR_SCAN_NO 4641 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4743; ORIGINAL_PRECURSOR_SCAN_NO 4742 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4666; ORIGINAL_PRECURSOR_SCAN_NO 4664 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9102; ORIGINAL_PRECURSOR_SCAN_NO 9101 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9117; ORIGINAL_PRECURSOR_SCAN_NO 9116 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9137; ORIGINAL_PRECURSOR_SCAN_NO 9136 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9164; ORIGINAL_PRECURSOR_SCAN_NO 9162 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9184; ORIGINAL_PRECURSOR_SCAN_NO 9183 CONFIDENCE standard compound; INTERNAL_ID 1187; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9157; ORIGINAL_PRECURSOR_SCAN_NO 9156
2-amino-6-(4-fluorophenyl)-3-nitro-4-phenylbenzonitrile
tert-Butyl 3-(bromomethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
C14H24BrNO3 (333.09394540000005)
Thiazolidine, 2-(4-methylphenyl)-3-[(3-methylphenyl)sulfonyl]- (9CI)
C17H19NO2S2 (333.08571539999997)
(R)-Duloxetine
C18H20ClNOS (333.0954060000001)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
Thiazolidine, 2-(2,3-dihydro-1H-phenalen-6-yl)-3-(methylsulfonyl)- (9CI)
C17H19NO2S2 (333.08571539999997)
3-[(2-chloro-6-fluorophenyl)methyl]-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione
Duloxetine hydrochloride
C18H20ClNOS (333.0954060000001)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D000068760 - Serotonin and Noradrenaline Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
tert-butyl 4-(trifluoromethylsulfonyloxy)piperidine-1-carboxylate
4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol hydrochloride
C18H20ClNOS (333.0954060000001)
Thiazolidine, 2-(4-methylphenyl)-3-[(4-methylphenyl)sulfonyl]- (9CI)
C17H19NO2S2 (333.08571539999997)
4-(N-[2,4-Diamino-6-pteridinylmethyl]amino)benzoic acid sodium salt
2-chloro-9-[3-(dimethylamino)propyl]thioxanthen-9-ol
C18H20ClNOS (333.0954060000001)
Picibanil
C308 - Immunotherapeutic Agent > C210 - Immunoadjuvant > C2141 - Chemo Immunostimulant Adjuvant D000970 - Antineoplastic Agents C2140 - Adjuvant
(RS)-1-(2-amino-2-carboxyethyl)-3-(2-carboxybenzyl)pyrimidine-2,4-dione
2-[4-(4-Fluorobenzoyl)phenyl]-2-(4-fluorophenyl)acetonitrile
C21H13F2NO (333.09651520000006)
3-(1-Benzotriazolylmethyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
N-[3-(7-methyl-2-imidazo[1,2-a]pyridinyl)phenyl]-2-thiophenecarboxamide
C19H15N3OS (333.09357800000004)
1-[5-[4-(Methylthio)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
(2S)-2-{[(2-benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl]amino}-3-methyl-3-sulfanylbutanoate
3-methyl-N,6-diphenyl-2-imidazo[2,1-b]thiazolecarboxamide
C19H15N3OS (333.09357800000004)
2-[2-[[1-(4-Chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]amino]ethoxy]ethanol
C15H16ClN5O2 (333.09924659999996)
2-[4-(4-Chloro-2-nitrophenyl)-1-piperazinyl]phenol
C16H16ClN3O3 (333.08801359999995)
N-[2-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
C19H15N3OS (333.09357800000004)
1-(2-Benzofuranyl)-2-[(4-methyl-2-quinolinyl)thio]ethanone
C20H15NO2S (333.08234500000003)
1-(3-Methylphenyl)-3-[[oxo-(5-propyl-3-thiophenyl)methyl]amino]thiourea
1-[4-[4-(Methylthio)phenyl]-2-thiazolyl]-4-piperidinecarboxamide
(2S)-5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]furan-3(2H)-one
7-demethylmitomycin B(2-)
A phenolate anion obtained by removal of two protons from position C-8 and O-6 of 7-demethylmitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
7-demethylmitomycin A(2-)
A phenolate anion obtained by removal of two protons from position C-8 and O-6 of 7-demethylmitomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
B-Raf IN 15
C19H15N3OS (333.09357800000004)
B-Raf IN 15 (Compound 7) is a BRAF inhibitor. B-Raf IN 15 inhibits BRAF WT and BRAF V600E with IC50s of 2.0 and 0.8 μM. B-Raf IN 15 can be used for the research of cancer[1].
2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
C16H15NO7 (333.08484799999997)
n-[(1z)-2-[(4as,6s,8ar)-6-chloro-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]ethenyl]-1-chloromethanecarbonimidoyl chloride
C16H22Cl3N (333.08177420000004)
n-[(1e)-2-[(4ar,6s,8ar)-6-chloro-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-2-yl]ethenyl]-1-chloromethanecarbonimidoyl chloride
C16H22Cl3N (333.08177420000004)
(2e)-3-({5,6-dihydroxy-3-methyl-2-oxo-4-[(1e)-prop-1-en-1-yl]-1-benzofuran-3-yl}-c-hydroxycarbonimidoyl)prop-2-enoic acid
C16H15NO7 (333.08484799999997)
1-chloro-n-[2-(6-chloro-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalen-2-yl)ethenyl]methanecarbonimidoyl chloride
C16H22Cl3N (333.08177420000004)
(2s)-2-amino-3-[4-(3,4,5-trihydroxybenzoyloxy)phenyl]propanoic acid
C16H15NO7 (333.08484799999997)
3-{[5,6-dihydroxy-3-methyl-2-oxo-4-(prop-1-en-1-yl)-1-benzofuran-3-yl]-c-hydroxycarbonimidoyl}prop-2-enoic acid
C16H15NO7 (333.08484799999997)
methyl (2s)-3-{[(2r)-2-hydroxy-3-methoxy-3-oxopropyl]sulfanyl}-2-[(3r)-3-methyl-2,5-dioxopyrrolidin-1-yl]propanoate
methyl 2-hydroxy-3-{[3-methoxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)-3-oxopropyl]sulfanyl}propanoate
(2s)-2-{[hydroxy(3,4,5-trihydroxyphenyl)methylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
C16H15NO7 (333.08484799999997)
(1r)-2-amino-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dione
C16H15NO7 (333.08484799999997)
(2e)-3-{[(3s)-5,6-dihydroxy-3-methyl-2-oxo-4-[(1e)-prop-1-en-1-yl]-1-benzofuran-3-yl]-c-hydroxycarbonimidoyl}prop-2-enoic acid
C16H15NO7 (333.08484799999997)