Exact Mass: 338.2012
Exact Mass Matches: 338.2012
Found 500 metabolites which its exact mass value is equals to given mass value 338.2012,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
resmethrin
DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10738; ORIGINAL_PRECURSOR_SCAN_NO 10736 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10738; ORIGINAL_PRECURSOR_SCAN_NO 10736 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10701; ORIGINAL_PRECURSOR_SCAN_NO 10696 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10728; ORIGINAL_PRECURSOR_SCAN_NO 10725 INTERNAL_ID 158; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10689; ORIGINAL_PRECURSOR_SCAN_NO 10685 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10714; ORIGINAL_PRECURSOR_SCAN_NO 10710 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10668; ORIGINAL_PRECURSOR_SCAN_NO 10665 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10689; ORIGINAL_PRECURSOR_SCAN_NO 10685 D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
coronardine
Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
Pinolidoxin
Pinolidoxin, also known as lethaloxin, is a member of the class of compounds known as oxocins. Oxocins are compounds containing an oxocin ring, which is a eight-member unsaturated aromatic ring containing one oxygen atom and seven carbon atoms. Pinolidoxin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pinolidoxin can be found in common pea, which makes pinolidoxin a potential biomarker for the consumption of this food product.
PIPERONYL BUTOXIDE
CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5758; ORIGINAL_PRECURSOR_SCAN_NO 5757 CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5733; ORIGINAL_PRECURSOR_SCAN_NO 5731 CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5682; ORIGINAL_PRECURSOR_SCAN_NO 5681 CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5667; ORIGINAL_PRECURSOR_SCAN_NO 5666 CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5702; ORIGINAL_PRECURSOR_SCAN_NO 5701 CONFIDENCE standard compound; INTERNAL_ID 958; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5704; ORIGINAL_PRECURSOR_SCAN_NO 5702 D010575 - Pesticides > D010574 - Pesticide Synergists CONFIDENCE standard compound; INTERNAL_ID 2296 D016573 - Agrochemicals
Aspidospermatine
Aspidospermatine is an alkaloid from Aspidosperma quebracho-blanco (quebracho
Epicainide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one
3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
monacolin J acid
A polyketide obtained by hydrolysis of the pyranone ring of monacolin J.
BIORESMETHRIN
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10702; ORIGINAL_PRECURSOR_SCAN_NO 10700 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10720; ORIGINAL_PRECURSOR_SCAN_NO 10715 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10634; ORIGINAL_PRECURSOR_SCAN_NO 10633 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10687; ORIGINAL_PRECURSOR_SCAN_NO 10684 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10657; ORIGINAL_PRECURSOR_SCAN_NO 10655 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10733; ORIGINAL_PRECURSOR_SCAN_NO 10731
11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5beta-androstan-3-one
Dodecyl gallate
Dodecyl gallate is an antioxidant used in foods especially oil, fats, cheeses and mashed potato. Dodecyl gallate is a permitted for use in margarine in USA. Possesses same antioxidant effects as propyl gallate but incr. alkyl chain length gives rise to greater fat solubility. Antioxidant used in foods especies oil, fats, cheeses and mashed potato. Permitted for use in margarine in USA. Possesses same antioxidant effects as propyl gallate but incr. alkyl chain length gives rise to greater fat solubility
[6]-Gingerdiol 5-acetate
[6]-Gingerdiol 5-acetate is found in ginger. [6]-Gingerdiol 5-acetate is a constituent of ginger (Zingiber officinale) rhizomes. Constituent of ginger (Zingiber officinale) rhizomes. [6]-Gingerdiol 5-acetate is found in herbs and spices and ginger.
[6]-Gingerdiol 3-acetate
[6]-Gingerdiol 3-acetate is found in herbs and spices. [6]-Gingerdiol 3-acetate is a constituent of ginger (Zingiber officinale) rhizomes. Constituent of ginger (Zingiber officinale) rhizomes. [6]-Gingerdiol 3-acetate is found in herbs and spices.
Omega-Carboxy-trinor-leukotriene B4
omega-Carboxy-trinor-leukotriene B4 belongs to the leukotriene family. Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. omega-Carboxy-trinor-leukotriene B4 belongs to the leukotriene family
Lisuride
Lisuride is only found in individuals that have used or taken this drug. It is used for the management of Parkinsons Disease.Lisuride is an anti-Parkinson drug chemically related to the dopaminergic ergoline Parkinsons drugs. Lisuride binds to the 5-HT(1A) and 5-HT(2A/2C) receptors. It is also thought to bind to the dopamine receptor and to act as a dopamine agonist. Evidence has also emerged that Lisuride also binds to the Histamine H1 receptor. Lisuride is also used to lower prolactin and, in low doses, to prevent migraine attacks. G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CB - Prolactine inhibitors D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Santalyl phenylacetate
beta-Santalyl phenylacetate is a mixture with a-santalyl phenylacetate (*FEMA 3008*) is used as flavouring ingredient. It is used as a food additive .
alpha-Santalyl phenylacetate
Mixtures with b-santalyl phenylacetate are used as flavouring ingredients. Mixts. with b-santalyl phenylacetate are used as flavouring ingredients
18-carboxy dinor Leukotriene B4
18-carboxy dinor Leukotriene B4, also known as 18-COOH-19,20-LTB4, is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 18-carboxy dinor Leukotriene B4 is considered to be practically insoluble (in water) and acidic
3beta-Hydroxy-17-(1H-imidazol-1-yl)androsta-5,16-diene
2-(10-Hydroxydec-1-enyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol
O-Demethylencainide
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
(8S,9S,10R,11S,13S,14S,17S)-11,17-Dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
(3R)-Acetoxy-(5S)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane
(3r)-acetoxy-(5s)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane is a member of the class of compounds known as fatty alcohol esters. Fatty alcohol esters are ester derivatives of a fatty alcohol (3r)-acetoxy-(5s)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (3r)-acetoxy-(5s)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane can be found in ginger, which makes (3r)-acetoxy-(5s)-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-decane a potential biomarker for the consumption of this food product.
(+)-Vincadifformine
An aspidosperma alkaloid that is the methyl ester of 2,3-didehydroaspidospermidine-3-carboxylic acid.
(E,E)-(-)-11-Dimethyl-3-[(acetyloxy)methyl]-7 2,6,10-dodecatriene-1,5-diol 1-acetate
[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol 5,9-diacetate
Vincadifformine
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
idebenone
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D020011 - Protective Agents > D000975 - Antioxidants C26170 - Protective Agent > C275 - Antioxidant Idebenone, a well-appreciated mitochondrial protectant, exhibits protective efficacy against neurotoxicity and can be used for the research of Alzheimer's disease, Huntington's disease. Idebenone (oxidised form) has a dose-dependent inhibitory effect on the enzymatic metabolism of arachidonic acid in astroglial homogenates (IC50=16.65 μM)[1]. Idebenone, a coenzyme Q10 analog and an antioxidant, induces apoptotic cell death in the human dopaminergic neuroblastoma SHSY-5Y cells[2]. Idebenone quickly crosses the blood-brain barrier.
akendo 4|ent-2-seco-3-nor-5alpha,4,15-dioxo-16-hydroxydolabr-2-oic acid|ent-2-seco-3-nor-5alpha,4,15-dioxo-16-hydroxydolabran-2-oic acid
(-)-17-O-Methylakagerine|17-O-Methylakagerina|17-O-Methylakagerine|7-O-methylakagerine
2-(6-hydroxy-1-oxooctyl)-3,5-dihydroxybenzeneacetic acid ethyl ester|dothiorelone B
(1S,5S,6S,9R,11S)-5,14-dimethoxy-12-acetoxycaryophyll-2(15)-en-7-one
1-formyl-17-methoxy-aspidofractinine|6-formyl-7-methoxy-2,3,4,5,11,12-hexahydro-1H,6H-3a,5a-ethano-indolizino[8,1-cd]carbazole|N-Formyl-17-methoxy-aspidofractinin
1,5-Di-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|8,12-diacetoxyfarnesol
1-formyl-6-methoxy-aspidofractinine|6-formyl-3-methoxy-2,3,4,5,11,12-hexahydro-1H,6H-3a,5a-ethano-indolizino[8,1-cd]carbazole|Refractidin
2-[5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]-1,4-benzoquinone|Panicein A
8alpha-acetoxy-13,14,15,16-tetranorlabdan-12-oic acid-18,6alpha-olide
7alpha(S),9alpha(R)-diacetoxy-8alpha(R)-hydroxy-1(12)-caryophyllene
(10R)-2,4-dihydroxy-6-(10-methoxyundecyl)benzoic acid
5,7-dimethoxy-8-prenylflavan|Di-Me ether-(S)-5,7-Dihydroxy-8-prenylflavan
3-Ethyl-2,19-dioxabicyclo(16.3.1(docosa-3,6,9,18(22),21-pentaen-12-yn-20-one
(3E,4R*,5S*)-4,5-dihydro-3-[10-(3,6-dihydro-1,2-dioxin-3-yl)decylidene]-4-hydroxy-5-methylfuran-2(3H)-one|litseadioxanin A
5,12-Di-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|8-acetoxy-12-hydroxyfarnesyl acetate
3beta-acetoxypolygodial 11alpha,12alpha-dimethyl acetal|3beta-acetoxypolygodial 12alpha-acetal
1,2-Dihydro-(Z,Z)-1,16-Diisothiocyanato-1,15-hexadecadiene
17-hydroxy-1-methyl-vobasan-3-one|N(a)-Methyl-epi-affinin
1,12-Di-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|12-acetoxy-8-hydroxyfarnesyl acetate
2-prenyl-3,5,4-trimethoxystilbene|3,5,4-trimethoxy-2-prenylstilbene|Tri-Me ether-3,4,5-Trihydroxy-2-prenylstilbene
1beta,3beta,5,6beta-tetrahydroxy-5alpha-androstane-17-one
(4E)-3-hydroxy-6-isopropyl-3-methyl-9-(5-oxotetrahydrofuran-2-yl)-4,9-decadienoic acid methyl ester
2-[(2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dienyl]-5-methylcyclohexa-2,5-diene-1,4-dione|Furanoquinone
Me ester-Piptoporic acid|piptoporic acid methyl ester
(-)-dihydroalstonerine|20,21-dihydroalstonerine|alstoserine
3-oxo-17-carboxy-3,18-seco-barbacenic acid|3-Oxo-17-carboxy-3,18-secobarbacenic acid
Coronaridine
(-)-coronaridine is a monoterpenoid indole alkaloid with formula C21H26N2O2. It is isolated from the flowering plant genus, Tabernaemontana. It has a role as an antileishmanial agent, an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a monoterpenoid indole alkaloid, a methyl ester, an organic heteropentacyclic compound and an alkaloid ester. It is a conjugate base of a (-)-coronaridine(1+). Coronaridine is a natural product found in Voacanga schweinfurthii, Tabernanthe iboga, and other organisms with data available. A monoterpenoid indole alkaloid with formula C21H26N2O2. It is isolated from the flowering plant genus, Tabernaemontana. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
ACon1_001209
8-Hydroxy-9,10-diisobutyryloxythymol is a natural product found in Centipeda minima, Arnica montana, and Inula japonica with data available.
C18H26O6_2,4-Hexadienoic acid, (6E)-3,4,5,8,9,10-hexahydro-8,9-dihydroxy-2-oxo-10-propyl-2H-oxecin-3-yl ester, (2E,4E)
C21H26N2O2_Ibogamine-18-carboxylic acid, methyl ester
Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
Retuline
A monoterpenoid indole alkaloid with formula C21H26N2O2, isolated from several species of Strychnos.
methyl(2|A,3|A,5|A)-aspidofractinine-3-carboxylate
Origin: Plant; Formula(Parent): C21H26N2O2; Bottle Name:Kopsinine; PRIME Parent Name:Kopsinine; PRIME in-house No.:V0259; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
methyl (4S,19S,1R,20R)-20-methyl-5,15-diazahexacyclo(10.6.1.1(1,4).0(4,12).0(6,11).0(5,19))icosa-6(11),7,9-triene-3-carboxylate
Origin: Plant; Formula(Parent): C21H26N2O2; Bottle Name:Pseudocopsinine; PRIME Parent Name:Pseudocopsinine; PRIME in-house No.:V0356; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
Dodecyl gallate
CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5704; ORIGINAL_PRECURSOR_SCAN_NO 5702 CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5702; ORIGINAL_PRECURSOR_SCAN_NO 5701 CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5667; ORIGINAL_PRECURSOR_SCAN_NO 5666 CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5682; ORIGINAL_PRECURSOR_SCAN_NO 5681 CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5733; ORIGINAL_PRECURSOR_SCAN_NO 5731 CONFIDENCE standard compound; INTERNAL_ID 1061; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5758; ORIGINAL_PRECURSOR_SCAN_NO 5757
PIPERONYL BUTOXIDE
D010575 - Pesticides > D010574 - Pesticide Synergists D016573 - Agrochemicals
Lisuride
G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CB - Prolactine inhibitors D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CA - Ergot alkaloids D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
Santalyl phenylacetate
a-Santalyl phenylacetate
FA 18:5;O4
2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride
6-(3-((tert-Butyldimethylsilyloxy)methyl)-pyrrolidin-1-yl)-2-fluoronicotinaldehyde
1h-1,4-diazepine-5-carboxylic acid, hexahydro-1,4-bis(phenylmethyl)-, methyl ester
N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide
10-HYDROXY-1-(2-HYDROXY-3,4-DIMETHOXY-6-METHYLPHENYL)DECAN-1-ONE
6-(tert-Butyloxycarbonylamino) pyridine-3-boronic acid pinacol ester
N-PYRIDIN-3-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
N-(4-METHYL-PYRIDIN-2-YL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
N-METHYL-N-PYRIDIN-2-YL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
3-BIPHENYL-4-YL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1,2,3-Trifluoro-4-[(trans,trans)-4-propyl[1,1-bicyclohexyl]-4-yl]-benzene
(5-benzyl-2-furyl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)c yclopropane-1-carboxylate
N-PYRIDIN-2-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
N-PYRIDIN-4-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
(S)-2-(N-BOC-AMINO)-N-BENZYLOXY-3-HYDROXY-3-METHYLBUTYRAMIDE
18-VINYL-2,3,5,6,8,9,11,12,14,15-DECAHYDROBENZO[B][1,4,7,10,13,16]HEXAOXACYCLOOCTADECINE
4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride
N-tert-butylprop-2-enamide,1-ethenylpyrrolidin-2-one,ethyl prop-2-enoate
butyl prop-2-enoate,2-methylprop-2-enamide,prop-2-enenitrile,prop-2-enoic acid
1-[1-(4-Fluorobenzyl)-1H-Benzimidazole-2yl]-N-Methyl-4-piperidineamine
N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinamide
ethyl 1-benzyl-4-(phenylamino)piperidine-4-carboxylate
TERT-BUTYL 1H-SPIRO[ISOQUINOLINE-4,4-PIPERIDINE]-2(3H)-CARBOXYLATE HYDROCHLORIDE
(4-((4-(tert-butoxycarbonyl)piperazin-1-yl)Methyl)-2-fluorophenyl)boronic acid
3-(Methoxycarbonyl)biphenyl-4-boronic acid pinacol ester
1-{3-[(TERT-BUTOXYCARBONYL)AMINO]PROPYL}-5-(TERT-BUTYL)-2-METHYL-1H-PYRROLE-3-CARBOXYLIC ACID
1-BOC-5-METHYLSPIRO[INDOLINE-3,4-PIPERIDINE] HYDROCHLORIDE
5-[Bis(2-methyl-2-propanyl)phosphino]-1-(1-naphthyl)-1H-pyrazole
1,2,3-Trifluoro-5-[(trans,trans)-4-propyl[1,1-bicyclohexyl]-4-yl]benzene
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
2-Amino-1-cyclohexyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
11beta,17beta-Dihydroxy-9alpha-fluoro-17alpha-methyl-5alpha-androstan-3-one
resmethrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
18-carboxy dinor Leukotriene B4
18-carboxy dinor Leukotriene B4, also known as 18-COOH-19,20-LTB4, is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 18-carboxy dinor Leukotriene B4 is considered to be practically insoluble (in water) and acidic
methyl (1S,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
(2S)-5-amino-5-oxo-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
[3-carboxy-2-[(3E,6E,9E)-dodeca-3,6,9-trienoyl]oxypropyl]-trimethylazanium
(4E,8E,10E,12E)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
2-(10-Hydroxydec-1-enyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol
11,17-dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
[3-carboxy-2-[(2E,5E,8E)-dodeca-2,5,8-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E,10E)-dodeca-4,6,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E,8E)-dodeca-4,6,8-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E,10E)-dodeca-4,7,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,6E)-dodeca-2,4,6-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E,7E)-dodeca-3,5,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,8E,10E)-dodeca-6,8,10-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E,9E)-dodeca-5,7,9-trienoyl]oxypropyl]-trimethylazanium
s-(-)-lisuride
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide
Ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamide
(2S)-4-methyl-2-[[[5-(methylcarbamoyl)-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester
1-[(1R,9S,11R,12E,17S)-12-Ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
3-methyl-5-[(2-oxolanylmethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
(2S,3S)-2-(2-{(1R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetamido)-3-methylpentanoate
2-[3-[2-[5-Ethyl-3,4-dihydropyridine-1(2H)-yl]ethyl]-1H-indol-2-yl]acrylic acid methyl ester
N-[(2S,3R,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2S,3S,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3R,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
(6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
N-[(2R,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2S,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3S,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2R,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
N-[(2S,3S,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
(6R,7S,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
1-Dodecylglycerone 3-phosphate
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as dodecyl
(9R,17S)-9-fluoro-6,11,17-trihydroxy-10,17-dimethyl-2,4,5,6,7,8,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
(3R,9R,17S)-9-fluoro-10,13,17-trimethyl-2,3,6,7,8,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol
Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-
methyl (15S,17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (12S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
methyl (3R,5R)-3,5-dihydroxy-7-[(1S,2S,8S)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoate
methyl (19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate
An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucine; major species at pH 7.3.
(-)-Vincadifformine
An aspidosperma alkaloid that is (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine which is substituted at position 3 by a methoxycarbonyl group. A natural product found in several species in the Apocynaceae (dogbane) family, including Alstonia spatulata.
18-hydroxy-18-oxo-dinorleukotriene B4
An octadecatetraenedioic acid obtained by oxidative degradation of leukotriene B4, a process that results in the removal of C19 and C20 with concomitant dioxygenation of C18.
secodine
A methyl ester that is 1H-indole substituted by a 3-methoxy-3-oxoprop-1-en-2-yl group at position 2 and a 2-(5-ethyl-3,4-dihydropyridin-1(2H)-yl)ethyl groups at position 3. It is a transient intermediate in the synthesis of indole alkaloids such as vindoline and vincadifformine.
SB 258719
SB 258719 is a selective 5-HT7 receptor antagonist with high affinity (pKi=7.5) for the receptor. SB 258719 can be used for the research of cancer and neurological disease[1][2][3].
(1s,5r,6r,7s,9r)-7-(acetyloxy)-6-hydroxy-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-yl acetate
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethenyl]-2-(3-methylbut-2-en-1-yl)benzene
[(1r,2s,4as,6s,8as)-2-acetyl-6-(2-hydroxyacetyl)-2,6,8a-trimethyl-hexahydro-1h-naphthalen-1-yl]acetic acid
[(15e)-15-ethylidene-7-methoxy-3-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
(1r,9r,10s,12r,13e,16s,17s,18r)-13-ethylidene-4-methoxy-8-methyl-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-ol
[3-(acetyloxy)-6-(hepta-1,3-dien-1-yl)-4-hydroxy-2-oxocyclohexyl]methyl acetate
10'-hydroxy-2'-(hydroxymethyl)-1',5',7'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate
methyl (6r,7r,7as)-5-heptyl-6,7-dihydroxy-7-methyl-2-oxo-7ah-1-benzofuran-6-carboxylate
(2z,4r,5e)-2-[2-(acetyloxy)ethylidene]-4-hydroxy-6,10-dimethylundeca-5,9-dien-1-yl acetate
(2r,3r,4s,6s)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoic acid
(3s,6e,8s,9r,10r)-8,9-dihydroxy-2-oxo-10-propyl-3,4,5,8,9,10-hexahydrooxecin-3-yl (2e,4e)-hexa-2,4-dienoate
1-{3-ethenyl-4-[3-hydroxy-3-(quinolin-4-yl)propyl]piperidin-1-yl}ethanone
(1s,12s,13r,16s,17s,18r)-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraene-17-carbaldehyde
1-[(1r,9s,11r,12e,17s)-12-ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-trien-8-yl]ethanone
2-[(2e,6e)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dien-1-yl]-5-methylcyclohexa-2,5-diene-1,4-dione
2-[3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dien-1-yl]-5-methylcyclohexa-2,5-diene-1,4-dione
7-methoxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-1-benzopyran
methyl (6s,7s,7ar)-5-heptyl-6,7-dihydroxy-7-methyl-2-oxo-7ah-1-benzofuran-6-carboxylate
3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraene-17-carbaldehyde
methyl (1r,9r,16r,18s,21r)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
2-[(2r,5r)-5-methyl-5-({2-methylpyrido[3,4-b]indol-1-yl}methyl)oxolan-2-yl]propan-2-ol
2-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-2-methylchromen-6-ol
methyl (9r,18r,21s)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
(1r,3e,7z,9r,10s)-9-(acetyloxy)-3-(hydroxymethyl)-10-isopropyl-7-methylcyclodeca-3,7-dien-1-yl acetate
5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2h-1-benzopyran
methyl 18-methyl-19-oxoicosa-2,5,7,9,11,13,15,17-octaenoate
[(1r,5s,6s,9r,10s)-5-methoxy-6-(methoxymethyl)-10-methyl-2-methylidene-7-oxobicyclo[7.2.0]undecan-10-yl]methyl acetate
3-[5-(1-hydroxy-2,4-dimethyldec-2-en-1-yl)-2-oxooxolan-3-ylidene]propanoic acid
methyl 2-[(1r,4as,5'r,8as)-5,5,5',8a-tetramethyl-3-oxo-tetrahydro-4h-spiro[2-benzopyran-1,2'-oxolan]-5'-yl]acetate
1-[(9s,10s,11r,12z,17s)-12-ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-trien-8-yl]ethanone
[(1r,3r,4r,6s)-3-(acetyloxy)-6-[(1e,3e)-hepta-1,3-dien-1-yl]-4-hydroxy-2-oxocyclohexyl]methyl acetate
methyl (1s,9r,16s,18r,21s)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
1,3-dimethoxy-5-[(1e)-2-(4-methoxyphenyl)ethenyl]-2-(3-methylbut-2-en-1-yl)benzene
methyl (1r,9r,16r,18s,21s)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-18-carboxylate
10-methoxyaffinisine
{"Ingredient_id": "HBIN000161","Ingredient_name": "10-methoxyaffinisine","Alias": "NA","Ingredient_formula": "C21H26N2O2","Ingredient_Smile": "CC=C1CN2C3CC1C(C2CC4=C3N(C5=C4C=C(C=C5)OC)C)CO","Ingredient_weight": "338.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13830","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "100983077","DrugBank_id": "NA"}
12-acetoxyfarnesol acetate
{"Ingredient_id": "HBIN000695","Ingredient_name": "12-acetoxyfarnesol acetate","Alias": "NA","Ingredient_formula": "C19H30O5","Ingredient_Smile": "CC(=CCCC(=CC(O)OC(=O)C)C)CCC=C(C)COC(=O)C","Ingredient_weight": "338.4 g/mol","OB_score": "NA","CAS_id": "75910-99-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9371","PubChem_id": "129829832","DrugBank_id": "NA"}
12-methoxyaffinisine
{"Ingredient_id": "HBIN000896","Ingredient_name": "12-methoxyaffinisine","Alias": "NA","Ingredient_formula": "C21H26N2O2","Ingredient_Smile": "CC=C1CN2C3CC1C(C2CC4=C3N(C5=C4C=CC=C5OC)C)CO","Ingredient_weight": "338.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13831","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102357238","DrugBank_id": "NA"}
16-epikopsinine
{"Ingredient_id": "HBIN001895","Ingredient_name": "16-epikopsinine","Alias": "NA","Ingredient_formula": "C21H26N2O2","Ingredient_Smile": "COC(=O)C1CC23CCCN4C2C5(C1(CC3)NC6=CC=CC=C65)CC4","Ingredient_weight": "338.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6940","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "7069832","DrugBank_id": "NA"}
