Exact Mass: 296.21
Exact Mass Matches: 296.21
Found 500 metabolites which its exact mass value is equals to given mass value 296.21,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-HODE + 9-HODE
13-Hydroxyoctadecadienoic acid (13-HODE) (CAS: 18104-45-5), also known as 13(S)-hydroxy-9Z,11E-octadecadienoic acid or 13(S)-HODE, is the major lipoxygenation product synthesized in the body from linoleic acid. 13-HODE prevents cell adhesion to endothelial cells and can inhibit cancer metastasis. 13-HODE synthesis is enhanced by cyclic AMP. gamma-Linolenic acid, a desaturated metabolite of linoleic acid, causes substantial stimulation of 13-HODE synthesis. A fall in gamma-linolenic acid synthesis with age may be related to the age-related fall in 13-HODE formation (PMID: 9561154). 13-HODE is considered an intermediate in linoleic acid metabolism. It is generated from 13(S)-HPODE via the enzyme lipoxygenase (EC 1.13.11.12). 13-HODE has been shown to be involved in cell proliferation and differentiation in a number of systems. 13-HODE is found to be produced by prostate tumours and cell lines and researchers believe that there is a link between linoleic acid metabolism and the development or progression of prostate cancer (PMID: 9367845).
9,10-Epoxyoctadecenoic acid
9,10-Epoxyoctadecenoic acid (9,10-EOA) is a peroxidation product of linoleic acid (LA). 9,10-EOA is a naturally occurring component of oxidized low density lipoprotein (LDL), the level of which increases with aging, atherosclerosis, and rheumatoid arthritis, perhaps due to an increase in 15-lipoxygenase and free oxygen radicals. 9,10-EOA is a proliferator-activated receptors (PPAR) gamma2 ligand, that is antiosteogenic without stimulating adipocyte differentiation. Studies in dogs suggest that 9,10-EOA has toxic cardiovascular effects. (PMID: 12665667, 12021203, 10667371).
alpha-Dimorphecolic acid
alpha-Dimorphecolic acid or 9(S)-HODE is an endogenous fatty acid (PPAR)gamma agonist synthesized in the body from linoleic acid. alpha-Dimorphecolic acid activates peroxisomal proliferator-activated receptor-gamma (PPAR)gamma in human endothelial cells increasing plasminogen activator inhibitor type-1 expression. Plasminogen activator inhibitor type-1 (PAI-1) is a major physiological inhibitor of fibrinolysis, with its plasma levels correlating with the risk for myocardial infarction and venous thrombosis. The regulation of PAI-1 transcription by endothelial cells (ECs), a major source of PAI-1, remains incompletely understood. Adipocytes also produce PAI-1, suggesting possible common regulatory pathways between adipocytes and ECs. Peroxisomal proliferator-activated receptor-gamma (PPAR)gamma is a ligand-activated transcription factor that regulates gene expression in response to various mediators such as 15-deoxy-delta12, 14-prostaglandin J2 (15d-PGJ2) and oxidized linoleic acid (9- and 13-HODE). alpha-Dimorphecolic acid is a ligand of the G protein-coupled receptor G2A (PMID: 10073956, 16647253, 16236715). alpha-Dimorphecolic acid inhibits the proliferation of NHEK cells by suppressing DNA synthesis and arresting the cell cycle in the G0/1-phase. alpha-Dimorphecolic acid-G2A signalling plays proinflammatory roles in the skin under oxidative conditions (PMID: 18034171). Present in plant and animal lipids as autoxidn. or lipoxygenase oxidn. production of linoleic acid.
10-Deoxymethynolide
A macrolide that consists of oxacyclododec-9-ene-2,8-dione bearing four methyl substituents at positions 3, 5, 7 and 11 as well as a hydroxy group at position 4 and an ethyl substituent at position 12. The aglycone of the macrolide antibiotic 10-deoxymethymycin.
Cinchonamine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.690 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.686 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.679 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.682
12,13-EpOME
12,13-EpOME is the 12,13-cis epoxide of linoleic acid, generated by neutrophils during the oxidative burst. The toxicity and biosynthesis of 12,13-EpOME has not been well differentiated from 9,10-EpOME, but has been presumed to be essentially the same.P [HMDB]. Vernolic acid is found in rice. 12,13-EpOME is the 12,13-cis epoxide of linoleic acid, generated by neutrophils during the oxidative burst. The toxicity and biosynthesis of 12,13-EpOME has not been well differentiated from 9,10-EpOME, but has been presumed to be essentially the same.P.
Palonosetron
Palonosetron (INN, trade name Aloxi) is a 5-HT3 antagonist used in the prevention and treatment of chemotherapy-induced nausea and vomiting (CINV). It is the most effective of the 5-HT3 antagonists in controlling delayed CINV nausea and vomiting that appear more than 24 hours after the first dose of a course of chemotherapy and is the only drug of its class approved for this use by the U.S. Food and Drug Administration. As of 2008, it is the most recent 5-HT3 antagonist to enter clinical use. [wikipedia]
Hydrocinchonine
Hydrocinchonine is found in fruits. Hydrocinchonine is an alkaloid from Olea europae
Avenoleic acid
Avenoleic acid is found in cereals and cereal products. Avenoleic acid is a constituent of oat seeds (Avena sativa) Constituent of oat seeds (Avena sativa). Avenoleic acid is found in oat and cereals and cereal products.
(Z)-13-Oxo-9-octadecenoic acid
(Z)-13-Oxo-9-octadecenoic acid is found in cereals and cereal products. (Z)-13-Oxo-9-octadecenoic acid is isolated from wheat flour infested with the beetle Oryzaephilus surinamensi Isolated from wheat flour infested with the beetle Oryzaephilus surinamensis. (Z)-13-Oxo-9-octadecenoic acid is found in cereals and cereal products.
12-Hydroxy-8,10-octadecadienoic acid
12-Hydroxy-8,10-octadecadienoic acid is found in fruits. 12-Hydroxy-8,10-octadecadienoic acid is a constituent of the seeds of Elaeagnus angustifolia (Russian olive) Constituent of the seeds of Elaeagnus angustifolia (Russian olive). 12-Hydroxy-8,10-octadecadienoic acid is found in fruits.
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol is found in herbs and spices. (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol is a constituent of Laurus nobilis (bay laurel). Constituent of Laurus nobilis (bay laurel). (1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol is found in tea and herbs and spices.
2-hydroxyimipramine
2-hydroxyimipramine is a metabolite of imipramine. Imipramine (sold as Antideprin, Deprimin, Deprinol, Depsol, Depsonil, Dynaprin, Eupramin, Imipramil, Irmin, Janimine, Melipramin, Surplix, Tofranil), also known as melipramine, is an antidepressant medication, a tricyclic antidepressant of the dibenzazepine group. Imipramine is mainly used in the treatment of major depression and enuresis (inability to control urination). It has also been evaluated for use in panic disorder. (Wikipedia)
Tanacetol B
Tanacetol B is found in herbs and spices. Tanacetol B is a constituent of Tanacetum vulgare (tansy) Constituent of Tanacetum vulgare (tansy). Tanacetol B is found in herbs and spices.
(10E,12Z)-9-HODE
(10E,12Z)-9-HODE, also known as 9-Hydroxy-10E,12Z-octadecadienoic acid or 9-Hydroxylinoleic acid, is classified as a lineolic acid or a Lineolic acid derivative. Lineolic acids are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. (10E,12Z)-9-HODE is considered to be practically insoluble (in water) and acidic. (10E,12Z)-9-HODE is an octadecanoid lipid molecule
(1S,17R)-17-Ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-7-ol
(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine
2-Hydroxydesmethyltrimipramine
3-Piperidinamine, N-((2-methoxyphenyl)methyl)-2-phenyl-, (2R,3R)-
Imipraminoxide
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
Palonosetron, (3R)-
Dihydrocinchonine
Dihydrocinchonine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dihydrocinchonine can be found in olive, which makes dihydrocinchonine a potential biomarker for the consumption of this food product.
[6]-Gingerdiol
AC1NQNFM is a member of the class of compounds known as gingerdiols. Gingerdiols are compounds containing a gingerdiol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by an alkane-2,4-diol. AC1NQNFM is practically insoluble (in water) and a very weakly acidic compound (based on its pKa).
[3R-(3R*,5S*,6E,9S*)]-3,7,11-trimethyl-1,6,10-dodecatriene-3,5,9-triol 9-acetate
[R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
(+)-Vernolic acid
An optically active form of vernolic acid having (12S,13R)-configuration.
(2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoic acid
pregna-1,4,20-trien-3-one
A natural product found in Carijoa multiflora and Carijoa species.
4-methylidene-5-oxo-2-undecyloxolane-3-carboxylic acid
1beta,4beta-dihydroxy-3beta-acetoxygermacra-5E,10(14)-diene
4-methyl-19-norpregna-1,3,5(10),20-tetraen-1-ol|krempene B|krempenes B
(-)-2-methyl-butyric acid (2Z,6E)-8-acetoxy-2,6-dimethyl-octa-2,6-dienyl ester
dihydro-5-(7 -hydroxy-8-tetradecenyl)-2(3h)-furanone
5-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|8-acetoxy-12-hydroxyfarnesol
(4E,9Z)-6beta-acetoxy-7alphaH-germacra-4,9-diene-1alpha,2beta-diol
8a-Ethyl-7,8,8a,9,10,11,12a,13-octahydroindolizino[8,1-ef][1]benzoazonine-6(5H)-one
4beta,5alpha-epoxygermacr-1(10)E-en-2beta,6beta-diol 2-acetate
(6E,9E)5-acetoxy-11-hydroxy-9-en-10,11-dihydronerolidol|8-Ac-(6E,8S*,9E,10R*)-2,6,10-Trimethyl-3,6,11-dodecatriene-2,8,10-triol
1-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|12-acetoxy-8-hydroxyfarnesol
8-Ac -(1(10)E,4alpha,5alpha,6beta,8beta)-4,5-Epoxy-1(10)-germacrene-6,8-diol
(ent-13??)-4,13-Dihydroxy-15,16-dinor-4,5-seco-5-rosanone|ent-4,13xi-dihydroxy-15,16-bisnorpictan-5-one
12-Ac-(2E,5xi,6E,10E)-2,6,10-Trimethyl-2,6,10-dodecatriene-1,5,12-triol|8,12-dihydroxyfarnesyl acetate
3(xi)-hydroxy-octadeca-4(E),6(Z)-dienoic acid|3(zeta)-hydroxy-octadeca-4(E),6(Z)-dienoic acid|3-hydroxy-octadeca-4(E),6(Z)-dienoic acid
1beta,5alpha-dihydroxy-6beta-acetoxyeudesm-4(15)-ene
(3S,6S)-3-acetoxy-2,2,6-trimethyl-6-([1S,4R]-4-hydroxy-4-methylcyclohex-2-en-1-yl)tetrahydropyran
(1SR,3aRS,8RS,11aSR,11bRS)-3a-amino-8-[(1R)-1-hydroxypropyl]-1-methyldecahydrofuro[3,2-c]pyrido[1,2-a]azepin-2(1H)-one|stemocochinamine
2-[rel-(1R,2R,3S,4S)-4-ethenyl-2-hydroxy-4-methyl-3-(prop-1-en-2-yl)cyclohexyl]-1-hydroxypropan-2-yl acetate|kachirachirain
(7E)-9-ketooctadec-7-enoic acid|7(E)-9-keto-octadec-7-enoic acid
10-acetoxy-3,7,11-trimethyldodeca-1,5,11-triene-3,7-diol
1beta-acetoxyl-4(15)-eudesmen-5alpha,11-diol|chrysanthemumol I
rel-(S,E)-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethylundeca-5,9-dien-2-ol
5-(3-Methoxycarbonylbutyroyl)aminomethyl-cis-quinolizidine
19-Norpregna-1,3,5(10),20-tetraen-3-yl Methyl Ether|3-methoxy-19-norpregna-1,3,5(10),20-tetraene
Andragine|Andrangine|ent-6alpha,7alpha-epoxy-22-nor-vallesamidine
(1S,5S,6S,9R,11S)-5,14-dimethoxy-12-hydroxycaryophyll-2(15)-en-7-one
1,2-dehydrogeissoschizoline
An indole alkaloid that is the 1,2-dehydro derivative of geissoschizoline. Isolated from Geissospermum sericeum, it exhibits antiplasmodial activity.
methyl 3,6-epoxy-4R,8R-diethyl-6S-methyl-2Z-dodecenoate
(E)-6beta-acetoxy-7-alphaH-germacra-4,10(14)-diene-1alpha,2beta-diol
6beta-acetoxy-5betaH,7alphaH,10betaMe-eudesm-4(15)-ene-1alpha,2beta-diol
FA 18:2;O
2-hydroxylinoleic acid is a 2-hydroxy fatty acid derived from linoleic acid. It has a role as an Arabidopsis thaliana metabolite, an antineoplastic agent, a PPARalpha agonist and a PPARgamma agonist. It is a 2-hydroxy fatty acid, a long-chain fatty acid and a HODE. It is functionally related to a linoleic acid. alpha-Hydroxylinoleic acid is under investigation in clinical trial NCT04431258 (ABTL0812 in Combination With FOLFIRINOX for First-line Treatment of Metastatic Pancreatic Study). mTORC1/mTORC2/DHFR Inhibitor ABTL0812 is an orally bioavailable, lipid analogue and inhibitor of raptor-mammalian target of rapamycin (mTOR) (mTOR complex 1; mTORC1), rictor-mTOR (mTOR complex 2; mTORC2) and dihydrofolate reductase (DHFR) with potential antineoplastic activity. Upon oral administration, mTORC1/mTORC2/DHFR inhibitor ABTL0812 binds to and inhibits both mTORC1 and mTORC2, which may result in apoptosis and a decrease in proliferation in mTORC1/2-expressing tumor cells. mTOR is a serine/threonine kinase that is upregulated in some tumors; it plays an important role in the PI3K/Akt/mTOR signaling pathway which is often deregulated in cancer cells. In addition, ABTL0812 inhibits DHFR, an enzyme that reduces dihydrofolic acid to tetrahydrofolic acid, thereby blocking tetrahydrofolate synthesis, and resulting in both the depletion of nucleotide precursors and the inhibition of DNA, RNA and protein synthesis. This induces autophagy-induced cell death and further inhibition of cell proliferation. A 2-hydroxy fatty acid derived from linoleic acid. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Hydrocinchonine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.680 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.675 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.674
(10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid
Palonosetron
A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants > A04AA - Serotonin (5ht3) antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
13-HODE-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
12(13)-EpOME-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
9-HODE
A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ]; CONFIDENCE standard compound CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
9(10)-EpOME-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
Na-Desacetylisoretuline
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Bisindole alkaloids, Indole alkaloids
(2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoic acid_major
13(R)-HODE
A 13-HODE in which the stereocentre at position 13 has S-configuration.
L-Tryptophan,N-[N-(1-oxodecyl)-L-alanyl]-methyl ester
Vernolic acid
A monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid having a 12,13-epoxy group.
dimevamide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
2-Propanol, 1-2-2-(2-aminoethyl)aminoethylaminoethylamino-3-phenoxy-
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorobenzene
formaldehyde,4-(2-methylbutan-2-yl)phenol,2-methyloxirane,oxirane
[R-(R*,R*)]-2-(1-Azabicyclo[2.2.2]oct-3-yl)-2,3,3a,4,5,6-hexahydro-1H-benz[de]isoquinolin-1-one
1-Benzyl-4-phenylamino-4-(hydroxymethyl)piperidine
(R)-2-[3-(3-METHOXYPROPOXY)-4-METHOXYBENZYL]-3-METHYLBUTAN-1-OL
4-tert-Octylphenyl-3,5-D2 Diethoxylate Solution, 1ug/ml in Acetone
buta-1,3-diene,2-methylprop-2-enamide,prop-2-enenitrile,styrene
N-methyl-6-(4-methylpiperazin-1-yl)-4-(o-tolyl)pyridin-3-amine
(1R,2R)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
TRANS-2,3-DIFLUORO-1-METHOXY-4-(4-PENTYL-CYCLOHEXYL)-BENZENE
2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate
tert-butyl 3-(piperidine-1-carbonyl)piperidine-1-carboxylate
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
2,8-Diazaspiro[4.5]decane-2-carboxylic acid, 8-acetyl-, 1,1-dimethylethyl ester
1H-Benz[de]isoquinolin-1-one, 2-(3R)-1-azabicyclo[2.2.2]oct-3-yl-2,3,3a,4,5,6-hexahydro-, (3aR)-
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
Imipraminoxide
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent
(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine
3-Piperidinamine, N-((2-methoxyphenyl)methyl)-2-phenyl-, (2R,3R)-
n-[4-(Dimethylamino)naphthalen-1-yl]cyclohexanecarboximidamide
(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol
[3-carboxy-2-[(2E,4E,7E)-nona-2,4,7-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E,6E)-nona-2,4,6-trienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E,7E)-nona-3,5,7-trienoyl]oxypropyl]-trimethylazanium
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
Noribogaine
An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a hydroxy group. It is the primary (and long-lived) metabolite of ibogaine, the psychoactive indole alkaloid found in the African rainforest shrub Tabernanthe iboga.
2-[(2R,3R,12bS)-3-ethenyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]ethanol
2-[2-[(2S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol
cyclobutyl-[(1S,5R)-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
5-Formyl-6-hydroxy-1,1,4a,6-tetramethyl-decahydronaphthalen-2-yl acetate
(5S,6R,7S)-6-(Tert-butyldimethylsilyloxy)-5,7-dimethylnon-3-YN-2-one
2-{3-ethenyl-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl}ethanol
10,12-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-4-yl acetate
(3r,7r,8s)-7-ethyl-5-methyl-5,12-diazatetracyclo[9.7.0.0³,⁸.0¹³,¹⁸]octadeca-1(11),13,15,17-tetraen-10-one
8-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyl-9-methylidenecyclodec-2-en-1-yl acetate
(1s)-1-[(1r,15s,17s,18r)-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraen-17-yl]ethanol
(4r,6s)-6-decyl-3-methylidene-2-oxooxane-4-carboxylic acid
(1r,2s,3ar,4r,7s,7ar)-1-acetyl-4-hydroxy-7-isopropyl-4-methyl-octahydroinden-2-yl acetate
5,6-dihydroxy-2-isopropyl-4a-methyl-8-methylidene-octahydronaphthalen-1-yl acetate
(15r,17r)-15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraen-17-ol
methyl 2-[5-(dec-9-en-1-yl)-2-oxooxolan-3-yl]acetate
(1r,2s,4r,7r,8s,10r,11r)-2,11-dihydroxy-4,6,6,10-tetramethyltricyclo[5.3.1.0⁴,¹¹]undecan-8-yl acetate
[(1z,6r,7r,8s)-6,7-dihydroxy-8-isopropyl-5-methylidenecyclodec-1-en-1-yl]methyl acetate
(1s)-3-[(3r,4r)-3-ethenylpiperidin-4-yl]-1-(quinolin-4-yl)propan-1-ol
7,8-dihydroxy-6-isopropyl-3-methyl-9-methylidenecyclodec-2-en-1-yl acetate
(1r,2e,5r,6r,7z,10s)-5,6-dihydroxy-10-isopropyl-3,7-dimethylcyclodeca-2,7-dien-1-yl acetate
(1s,9r,16r,18s,21s)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-trien-18-ol
6-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-2,2,6-trimethyloxan-3-yl acetate
(2e,6e,10s)-8,10-dihydroxy-2,6,10-trimethyldodeca-2,6,11-trien-1-yl acetate
(1s,3r,4e,8s,9r,10r)-9-hydroxy-8-isopropyl-1,5-dimethyl-11-oxabicyclo[8.1.0]undec-4-en-3-yl acetate
19-epi-heyneanine
{"Ingredient_id": "HBIN002182","Ingredient_name": "19-epi-heyneanine","Alias": "19-epi-heyneanine","Ingredient_formula": "C19H24N2O","Ingredient_Smile": "CC(C1CC2CC3C1N(C2)CCC4=C3NC5=CC=CC=C45)O","Ingredient_weight": "296.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33080","TCMSP_id": "NA","TCM_ID_id": "19374","PubChem_id": "44566759","DrugBank_id": "NA"}
2,6,10-farnesatriene-1,5,12-triol; (2e,5ξ,6e,10e)-form,5-ac
{"Ingredient_id": "HBIN004824","Ingredient_name": "2,6,10-farnesatriene-1,5,12-triol; (2e,5\u03be,6e,10e)-form,5-ac","Alias": "NA","Ingredient_formula": "C17H28O4","Ingredient_Smile": "NA","Ingredient_weight": "296.4","OB_score": "NA","CAS_id": "175800-10-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8841","PubChem_id": "NA","DrugBank_id": "NA"}
[6]-gingediol
{"Ingredient_id": "HBIN012357","Ingredient_name": "[6]-gingediol","Alias": "NA","Ingredient_formula": "C17H28O4","Ingredient_Smile": "CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O","Ingredient_weight": "296.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15540","TCMID_id": "8382","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101660275","DrugBank_id": "NA"}
6-gingerdiol
{"Ingredient_id": "HBIN012361","Ingredient_name": "6-gingerdiol","Alias": "NA","Ingredient_formula": "C17H28O4","Ingredient_Smile": "CCCCCC(CC(CCC1=CC(=C(C=C1)O)OC)O)O","Ingredient_weight": "296.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "20969","PubChem_id": "15839040","DrugBank_id": "NA"}
