Exact Mass: 370.2358
Exact Mass Matches: 370.2358
Found 500 metabolites which its exact mass value is equals to given mass value 370.2358,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Thromboxane B2
Thromboxanes. A stable, physiologically active compound formed in vivo from the prostaglandin endoperoxides. It is important in the platelet-release reaction (release of ADP and serotonin). -- Pubchem. Thromboxanes 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. Thromboxanes
6-Keto-prostaglandin F1a
6-keto-Prostaglandin F1a is the physiologically active and stable metabolite of prostacyclin. (A prostaglandin found in nearly all mammalian tissue that is a powerful vasodilator and inhibits platelet aggregation; it is biosynthesized enzymatically from prostaglandin endoperoxides in human vascular tissue; the sodium salt has been also used to treat primary pulmonary hypertension (Hypertension, Pulmonary). A delayed and prolonged increase in 6-keto-PGF1 alpha is reported in animals with septic shock, i.e., those with fecal peritonitis or cecal ligation. 6-keto-Prostaglandin F1a plasma levels has been found increased in patients with epidemic hemorrhagic fever, in patients with acute obstructive suppurative cholangitis, in patients with gynecologic cancer and has significant correlation with the level of high density lipoprotein cholesterol in plasma. (PMID 1976492, 2298410, 2379443, 2111556)Prostaglandins 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. 6-keto-Prostaglandin F1a is the physiologically active and stable metabolite of prostacyclin. (A prostaglandin found in nearly all mammalian tissue that is a powerful vasodilator and inhibits platelet aggregation; it is biosynthesized enzymatically from prostaglandin endoperoxides in human vascular tissue; the sodium salt has been also used to treat primary pulmonary hypertension (Hypertension, Pulmonary).
spiromesifen
(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside
(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside is found in fruits. (3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside is a constituent of raspberry (Rubus idaeus) and leaves of sage (Salvia officinalis). Isolated from raspberry (Rubus idaeus) and the leaves of Dalmatian sage (Salvia officinalis). 3-Oxo-alpha-ionol 9-glucoside is found in herbs and spices, fruits, and red raspberry.
Octaethylene glycol
Octaethylene glycol, also known as 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol, is classified as a member of the polyethylene glycols. Polyethylene glycols are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). Octaethylene glycol is considered to be practically insoluble (in water) and relatively neutral. (ChemoSummarizer)
3-Oxo-4,6-choladienoic acid
3-Oxo-4,6-choladienoic acid is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12. 3-Oxo-4,6-choladien-24-oic acid is an endogenous metabolite. 3-Oxo-4,6-choladien-24-oic acid exsists in the urine of patients with hepatobiliary disease[1].
Antibiotic SB 202742
Antibiotic SB 202742 is found in fruits. Antibiotic SB 202742 is a constituent of Spondias mombin (yellow mombin). Constituent of Spondias mombin (yellow mombin). Antibiotic SB 202742 is found in fruits.
5-Megastigmen-7-yne-3,9-diol 9-glucoside
5-Megastigmen-7-yne-3,9-diol 9-glucoside is found in alcoholic beverages. 5-Megastigmen-7-yne-3,9-diol 9-glucoside is a constituent of Riesling wine and Rose petals. Constituent of Riesling wine and Rose petals. 5-Megastigmen-7-yne-3,9-diol 9-glucoside is found in alcoholic beverages.
20-Hydroxy-PGF2a
20-Hydroxy PGF2a is the omega-oxidation product of PGF2alpha via P450 omega-oxidation. Prostaglandin F2a (PGF2) is one of the earliest discovered and most common prostaglandins is actively biosynthesized in various organs of mammals and exhibits a variety of biological activities, including contraction of pulmonary arteries. PGF2 is mainly synthesized directly from PGH2 by PGH2 9,11-endoperoxide reductase. A small amount of PGF2 is also produced from PGE2 by PGE2 9-ketoreductase. A PGF2 epimer has been reported to exhibit various biological activities, and its levels are increased in bronchoalveolar lavage fluid, plasma, and urine in patients with mastocytosis and bronchial asthma. PGF2 is synthesized from PGD2 by PGD2 11-ketoreductase. (PMID: 16475787, 3473507) [HMDB] 20-Hydroxy PGF2a is the omega-oxidation product of PGF2alpha via P450 omega-oxidation. Prostaglandin F2a (PGF2) is one of the earliest discovered and most common prostaglandins is actively biosynthesized in various organs of mammals and exhibits a variety of biological activities, including contraction of pulmonary arteries. PGF2 is mainly synthesized directly from PGH2 by PGH2 9,11-endoperoxide reductase. A small amount of PGF2 is also produced from PGE2 by PGE2 9-ketoreductase. A PGF2 epimer has been reported to exhibit various biological activities, and its levels are increased in bronchoalveolar lavage fluid, plasma, and urine in patients with mastocytosis and bronchial asthma. PGF2 is synthesized from PGD2 by PGD2 11-ketoreductase. (PMID: 16475787, 3473507).
10,11-dihydro-20-dihydroxy-LTB4
10,11-dihydro-20-dihydroxy-LTB4 is formed when leukotriene B4 (LTB4) is metabolized by beta-oxidation.LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 8632343, 9667737). 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. 10,11-Dihydro-20-dihydroxy-LTB4 is formed when leukotriene B4 (LTB4) is metabolized by beta-oxidation.LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 8632343, 9667737)
Prostaglandin G1
Prostaglandin G1 belongs to the family of Prostaglandins. Prostaglandins 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. Prostaglandin G1 belongs to the family of Prostaglandins
Rimexolone
Rimexolone is only found in individuals that have used or taken this drug. It is a glucocorticoid steroid used to treat inflammation in the eye. It is marketed as a 1\\% eye drop solution under the trade name VexolRimexolone is a glucocorticoid receptor agonist. The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition of arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. By binding to the glucocorticoid receptor, this drug ultimately leads to changes in genetic transcription involving the lipocortins and prostaglandins.
5-Megastigmen-7-yne-3,9-diol 3-glucoside
5-Megastigmen-7-yne-3,9-diol 3-glucoside is found in alcoholic beverages. 5-Megastigmen-7-yne-3,9-diol 3-glucoside is a constituent of Riesling wine. Constituent of Riesling wine. 5-Megastigmen-7-yne-3,9-diol 3-glucoside is found in alcoholic beverages.
19-hydroxyprostaglandin H1(1-)
19-hydroxyprostaglandin H1(1-) is considered to be practically insoluble (in water) and acidic
Adb-chminaca, (+/-)-
19-Hydroxyprostaglandin E1
19-Hydroxyprostaglandin F
N-[1'-(Aminocarbonyl)-2',2'-dimethylpropyl]-1-(cyclohexylmethyl)-1h-indazole-3-carboxamide
Nomegestrol acetate
Ocfentanil
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist
MG(18:1(12Z)-O(9S,10R)/0:0/0:0)
MG(18:1(12Z)-O(9S,10R)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(18:1(9Z)-O(12,13)/0:0/0:0)
MG(18:1(9Z)-O(12,13)/0:0/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/18:1(12Z)-O(9S,10R)/0:0)
MG(0:0/18:1(12Z)-O(9S,10R)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
MG(0:0/18:1(9Z)-O(12,13)/0:0)
MG(0:0/18:1(9Z)-O(12,13)/0:0) is an oxidized monoacyglycerol (MG). Oxidized monoacyglycerols are glycerolipids in which the fatty acyl chain has undergone oxidation. As all oxidized lipids, oxidized monoacyglycerols belong to a group of biomolecules that have a role as signaling molecules. The biosynthesis of oxidized lipids is mediated by several enzymatic families, including cyclooxygenases (COX), lipoxygenases (LOX) and cytochrome P450s (CYP). Non-enzymatically oxidized lipids are produced by uncontrolled oxidation through free radicals and are considered harmful to human health (PMID: 33329396). As is the case with other lipids, monoacyglycerols can be substituted by different fatty acids, with varying lengths, saturation and degrees of oxidation attached at the C-1, C-2 and C-3 positions. Lipids are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling. Similarly to what occurs with lipids, the fatty acid distribution at the C-1 and C-2 positions of glycerol within oxidized lipids is continually in flux, owing to lipid degradation and the continuous lipid remodeling that occurs while these molecules are in membranes. Oxidized MGs can be synthesized via three different routes. In one route, the oxidized MG is synthetized de novo following the same mechanisms as for MGs but incorporating an oxidized acyl chain (PMID: 33329396). An alternative is the transacylation of the non-oxidized acyl chains with an oxidized acylCoA (PMID: 33329396). The third pathway results from the oxidation of the acyl chain while still attached to the MG backbone, mainly through the action of LOX (PMID: 33329396).
Aspidocarpine
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.694 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.691 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.688 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.689
[4beta(2R,3R)]-Trichotheca-9,12-dien-4-ol, 5-(3-methyloxiranyl)-2,4-pentadienoate
14-(4-Hydroxy-3-methoxybenzoyloxy)dauc-4,8-diene
19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
(6R,9S)-3-oxo-alpha-ionol-beta-D-glucopyranoside
(6R,9R)-3-Oxo-alpha-ionyl-9-O-beta-glucopyranoside
1-epi-2beta,3beta,5beta,6beta,10alpha,16alpha-hexahydroxygrayanane|craiobiotoxin VII
Me ester-(ent-2beta,3alpha,4alpha,13S)-2,3,4-Trihydroxy-15-clerodanoic acid|methyl 2alpha,3beta,4beta-trihydroxy-neo-clerodan-15-oate
2-(4,8-dimethylnona-3,7-dienyl)-8-hydroxy-2-methyl-2H-chromene-6-carboxylic acid methyl ester|2-(4,8-Dimethylnona-3,7-dienyl)-8-hydroxy-2-methyl-2H-chromene-6-carboxylic methyl ester
(3beta,5beta,8beta,14beta)-8,14-Epoxy-3-hydroxycarda-16,20(22)-dienolide
2,3-dihydroxypropyl (9Z,12Z)-11-hydroxyoctadeca-9,12-dienoate
1-(5-geranyloxy-7-hydroxy-2,2-dimethyl-2H-chromen-8-yl)ethanone
(3E)-4-[(4R)-4-(beta-D-glucopyranosyloxy)-2,6,6-trimethyl-cyclohex-1-enyl]but-3-en-2-one|(3E)-4-[(4R)-4-(beta-D-glucopyranosyloxy)-2,6,6-trimethylcyclohex-1-enyl]but-3-en-2-one|3-hydroxymegastigmasta-5,7-dien-9-one-3-O-beta-D-glucopyranoside|3beta-D-glucopyranosyloxy-beta-ionone
(9R)-4-oxo-beta-ionol beta-D-glucopyranoside|4-Oxo-beta-ionol beta-D-glucopyranoside
1-acetyl-17-methoxy-aspidospermidin-16-ol|Aspidocarpin|aspidocarpine
3,4-dihydro-5-hydroxy-2,7-dimethyl-8-(3-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyrane-6-carboxylic acid|3,4-dihydro-5-hydroxy-2,7-dimethyl-8-(3-methyl-2-butenyl)-2-(4-methyl-1,3-pentadienyl)-2H-1-benzopyran-6-carboxylic acid
2-[(6Z,9Z,12Z)-heptadeca-6,9,12-trienyl]-6-hydroxybenzoic acid
lehualide F
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 3, a hydroxy group at position 4, a methyl group at position 5 and a (2E)-3-methyl-9-phenylnon-2-en-1-yl group at position 6. Isolated from the marine sponge of the genus Plakortis, it exhibits cytotoxicity against human promyeloid leukemic HL-60 cells.
(6Z)-[9-O-(beta-D-glucopyranosyl)] butylidene-1,5,5-trimethyl-4-cyclohexen-3-one
2,6-dihydroxy-2-<3,7,11-trimethyl-2(E),6(E),10-dodecatrien-1-yl>-3(2H)-benzofuranone
1-(2,4-dihydroxyphenyl)-3,7,11-trimethyl-3-vinyl-6(E),10-dodecadiene-1,9-dione
(4E,8E)-1-(2-hydroxy-4-methoxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one|4-O-methyldshamirone|O(7)-methyl-2-nor-1,2-secoammoresinol
17-methoxy-corynox-16-ene-16-carboxylic acid methyl ester|Rynchophyllin
1,2,9,10-tetramethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde
TXB2-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0071.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_1min0071.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_1min0071.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_0001327.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_0001327.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_0001327.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_0001327.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_0001327.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_0001327.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based on: CCMSLIB00000846934]
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde [IIN-based: Match]
Octaethylene glycol
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 11 INTERNAL_ID 11; CONFIDENCE Reference Standard (Level 1)
2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehyde_major
(R)-4-((8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Ala Ala Ile Pro
Ala Ala Leu Pro
Ala Ala Pro Ile
Ala Ala Pro Leu
Ala Ile Ala Pro
Ala Ile Pro Ala
Ala Leu Ala Pro
Ala Leu Pro Ala
Ala Pro Ala Ile
Ala Pro Ala Leu
Ala Pro Ile Ala
Ala Pro Leu Ala
Gly Pro Val Val
Gly Val Pro Val
Gly Val Val Pro
Ile Ala Ala Pro
Ile Ala Pro Ala
Ile Pro Ala Ala
Leu Ala Ala Pro
Leu Ala Pro Ala
Leu Pro Ala Ala
Pro Ala Ala Ile
Pro Ala Ala Leu
Pro Ala Ile Ala
Pro Ala Leu Ala
Pro Gly Val Val
Pro Ile Ala Ala
Pro Leu Ala Ala
Pro Val Gly Val
Pro Val Val Gly
Val Gly Pro Val
Val Gly Val Pro
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Val Val Gly Pro
Val Val Pro Gly
20-Hydroxy-PGF2a
(20S,22E)-3β-Hydroxychola-5,16,22-trien-24-oic Acid
Rimexolone
H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
17-phenyl trinor-13,14-dihydro Prostaglandin A2
Methyl Arachidonyl Fluorophosphonate
D004791 - Enzyme Inhibitors
5-Megastigmen-7-yne-3,9-diol 9-glucoside
N-Lauryl-N-myristyl-beta-alanine
(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside
FA 20:3;O4
Thromboxane B2
A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.
Aplidic acid A
ST 24:4;O3
3-Oxo-4,6-choladien-24-oic acid is an endogenous metabolite. 3-Oxo-4,6-choladien-24-oic acid exsists in the urine of patients with hepatobiliary disease[1].
Canangalia E
Canangalia F
6-((8Z,11Z,14Z)-heptadeca-8,11,14-trien-1-yl)salicylic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors D004791 - Enzyme Inhibitors
1-Piperazinamine,4-(diphenylmethyl)-N-[(6-methyl-2-pyridinyl)methylene]-
Artilide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
(3AR,4S,5R,6AS)-4-(((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)-5-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
Pyrimidine, 2-[4-[1-(1-cyclohexyl-1H-tetrazol-5-yl)-2-methylpropyl]-1-piperazinyl]- (9CI)
(Z)-(9S)-2-acetoxy-2-acetyl-5,9-dimethyl-10-hydroxydeca-4-enoic acid tert-butyl ester
butane-1,4-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid
butane-1,3-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid
2-ethylhexyl prop-2-enoate,methyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid
(E)-but-2-enoic acid,vinyl acetate,vinyl decanoate
Nomegestrol acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
tert-butyl 4-(2-oxospiro[cyclopentane-1,3-indole]-1-yl)piperidine-1-carboxylate
1,2-bis(ethenyl)benzene,1-ethenyl-4-ethylbenzene,4-methylphenol
ethenyl acetate,2-ethylhexyl prop-2-enoate,methyl 2-methylprop-2-enoate
6-[(2-hydroxyethyl)amino]-4-methyl-2-[[3-(2-phenoxyethoxy)propyl]amino]nicotinonitrile
3-PHENYL-1-(PYRIDIN-2-YL)-5,6,7,8,9,10,11,12,13,14-DECAHYDROCYCLODODECA[C]PYRIDINE
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-cyclopentyl- (9CI)
TERT-BUTYL 4-(6-(2-ACETYL-1H-PYRROL-1-YL)PYRIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE
2,2-(2,3-Dihydro-1H-indene-4,6-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)
sn-Glycerol 3-phosphate biscyclohexylammonium salt
1,1,1,1-Tetramethyl-4,4-(methylene-di-p-phenylene)disemicarbazide
5-(7-(5-Hydro-4-ethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl isoxazole
20-Hydroxyprostaglandin E1
A prostaglandin E derivative that is prostaglandin E1 in which one of the methyl hydrogens at position 20 has been replaced by a hydroxy group.
Prostaglandin G1
A member of the class of prostaglandins G that is 9alpha,11alpha-epidioxy-13-trans-prostenoic acid carrying an additional hydroperoxy substituent at the 15S-position.
(S)-N-(4-Carbamimidoylbenzyl)-1-(3-Cyclopentylpropanoyl)pyrrolidine-2-Carboxamide
[(2S)-2,3-dihydroxypropyl] (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
1,3-dihydroxypropan-2-yl (Z)-11-(3-pentyloxiran-2-yl)undec-9-enoate
7-[2-[(E)-3,7-dihydroxyoct-1-enyl]-3-hydroxy-5-oxocyclopentyl]heptanoic acid
(E)-7-[2-[(E)-3,7-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
7-[6-[(E)-3,7-dihydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]heptanoic acid
[3-Carboxy-2-(9-carboxy-3,4-dimethylidenenonanoyl)oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,10E)-11-carboxyundeca-2,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,9E)-11-carboxyundeca-7,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,9E)-11-carboxyundeca-5,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,10E)-11-carboxyundeca-3,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E)-11-carboxyundeca-5,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,8E)-11-carboxyundeca-6,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,10E)-11-carboxyundeca-7,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,10E)-11-carboxyundeca-5,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,9E)-11-carboxyundeca-4,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,6E)-11-carboxyundeca-2,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-11-carboxyundeca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,8E)-11-carboxyundeca-4,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,10E)-11-carboxyundeca-4,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,9E)-11-carboxyundeca-3,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E)-11-carboxyundeca-5,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,10E)-11-carboxyundeca-8,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E)-3-hydroxytrideca-4,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,9E)-3-hydroxytrideca-6,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,9E)-3-hydroxytrideca-5,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,9E)-5-hydroxytrideca-7,9-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,11E)-5-hydroxytrideca-8,11-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(6E,8E)-4-hydroxytrideca-6,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,8E)-3-hydroxytrideca-5,8-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E)-3-hydroxytrideca-5,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(8E,10E)-6-hydroxytrideca-8,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(7E,10E)-4-hydroxytrideca-7,10-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(9E,11E)-7-hydroxytrideca-9,11-dienoyl]oxypropyl]-trimethylazanium
(6aS)-1,2,9,10-tetramethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium
6-(9-Purine-6,8-diolyl)-2beta-suberosanone
A natural product found in Subergorgia suberosa.
Ala-Leu-Ala-Pro
A tetrapeptide composed of L-alanine, L-leucine, L-alanine, and L-proline joined in sequence by peptide linkages.
5-[1-[4-(Diethylamino)anilino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
1,2-Dihydroacenaphthylen-5-yl-[1-[(6-methyl-2-pyridinyl)methyl]-3-piperidinyl]methanone
19-Hydroxyprostaglandin H1
A prostaglandin H that consists of prostaglandin H1 bearing an additional hydroxy substituent at position 19.
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,6-dimethylphenyl)benzamide
(5Z,9E,12S,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid
An icosanoid that is (5Z,9E,14Z)-icosa-5,9,14-trienoic acid carrying four hydroxy substituents at positions 8, 11, 12 and 20. An intermediary metabolite from the 12(R)-lipoxygenase pathway.
N-(2-ethoxyphenyl)-4-(4-morpholinyl)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine
N-tert-butyl-2-[2-methoxy-4-[(2-phenylethylamino)methyl]phenoxy]acetamide
methyl 8-[(2E)-2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butylidene]hydrazinyl]-8-oxooctanoate
(3E)-4-(2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)but-3-en-2-yl beta-D-glucopyranoside
(5S,6Z,8E,12S,14Z)-5,12,20,20-tetrahydroxyicosa-6,8,14-trienoic acid
2-[[(2R)-3-heptanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(2R)-2-heptanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
(1-butanoyloxy-3-hydroxypropan-2-yl) (Z)-tetradec-9-enoate
(1-hydroxy-3-pentanoyloxypropan-2-yl) (Z)-tridec-9-enoate
(1-acetyloxy-3-hydroxypropan-2-yl) (Z)-hexadec-9-enoate
(1-hydroxy-3-propanoyloxypropan-2-yl) (Z)-pentadec-9-enoate
2-[(3-Heptanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-hydroxy-3-octoxypropoxy)phosphoryl]oxyethyl-trimethylazanium
5-[7-[4-(4-Ethyl-4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole
(Z)-7-[(2R,3S,4S,6S)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]hept-5-enoic acid
3-Oxochola-4,6-dien-24-oic Acid
A 3-oxo Delta(4)-steroid that is the 3-oxo derivative of chola-4,6-dien-24-oic acid. 3-Oxo-4,6-choladien-24-oic acid is an endogenous metabolite. 3-Oxo-4,6-choladien-24-oic acid exsists in the urine of patients with hepatobiliary disease[1].
1-Naphthylacetylspermine
Naspm (1-Naphthyl acetyl spermine), a synthetic analogue of Joro spider toxin, is a calcium permeable AMPA (CP-AMPA) receptors antagonist.
(22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid
(20S,22E)-3beta-Hydroxychola-5,16,22-trien-24-oic Acid
(S)-1,2,9,10-tetramethoxy-6-methylaporphine(1+)
A aporphine alkaloid that is the quaternary ammonium ion obtained by methylation of the tertiary amino group of (S)-glaucine.
6-Oxoprostaglandin F1alpha
A prostaglandin Falpha that is prostaglandin F1alpha bearing a keto substituent at the 6-position.
(2s,3r,4r)-2-[(14s)-14-hydroxypentadecyl]-4-methyl-5-oxooxolane-3-carboxylic acid
4-(2,6,6-trimethyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl)but-3-en-2-one
(2r)-3-(acetyloxy)-2-{[(2z)-2-methylbut-2-enoyl]oxy}propyl 8-methylnonanoate
(3e)-4-[(4r)-2,6,6-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-1-en-1-yl]but-3-en-2-one
8-hydroxy-2-isopropyl-4a,8-dimethyl-octahydronaphthalen-1-yl 3-phenylprop-2-enoate
(4e,6e)-7-[(1r,2s,4r,5r,6s,7s,9s,11r)-5-[(2e)-but-2-en-2-yl]-4,11-dimethyl-3,10-dioxatetracyclo[5.5.0.0²,⁴.0⁹,¹¹]dodecan-6-yl]-4-methylhepta-4,6-dien-3-one
(1s,9s,12r,13s,14s)-3-hydroxy-5,9,13-trimethyl-13-(4-methylpent-3-en-1-yl)-8-oxatetracyclo[7.4.1.0²,⁷.0¹²,¹⁴]tetradeca-2(7),3,5-triene-4-carboxylic acid
1-(5-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7-hydroxy-2,2-dimethylchromen-8-yl)ethanone
(1r,3s,4s,6r,8r,9s,10s,13s,14r,16s)-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecane-3,4,6,9,14,16-hexol
(3r,5s)-5-(methoxymethyl)-3-(octadeca-13,17-dien-9,11-diyn-1-yl)oxolan-2-one
(6ar,8r,9ar)-3-[(5s)-3,5-dimethylhepta-1,3-dien-1-yl]-8-methoxy-6a,8-dimethyl-9h,9ah-furo[2,3-h]isochromen-6-one
3-(acetyloxy)-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate
(3e)-4-[(1r,4r)-2,6,6-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-yl]but-3-en-2-one
1-{12-ethyl-6-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-trien-8-yl}ethanone
(2s,3s,4r)-2-[(14r)-14-hydroxypentadecyl]-4-methyl-5-oxooxolane-3-carboxylic acid
2-(14-hydroxypentadecyl)-4-methyl-5-oxooxolane-3-carboxylic acid
methyl (1r,2s,4ar,5s,6s,8as)-6-chloro-2-hydroxy-2,5,8a-trimethyl-5-(4-methylpent-3-en-1-yl)-hexahydro-1h-naphthalene-1-carboxylate
(4e,8e)-1-(2-hydroxy-4-methoxyphenyl)-5,9,13-trimethyltetradeca-4,8,12-trien-1-one
18R-Hydroxydihydroalloprotolichensterinic acid
{"Ingredient_id": "HBIN002149","Ingredient_name": "18R-Hydroxydihydroalloprotolichensterinic acid","Alias": "NA","Ingredient_formula": "C21H38O5","Ingredient_Smile": "CC1C(C(OC1=O)CCCCCCCCCCCCCC(C)O)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38798","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(4',8'-dimethylnona-3',7'-dienyl)-8-hydroxy-2-methyl-2h-chromene-6-carboxylicmethylester
{"Ingredient_id": "HBIN004271","Ingredient_name": "2-(4',8'-dimethylnona-3',7'-dienyl)-8-hydroxy-2-methyl-2h-chromene-6-carboxylicmethylester","Alias": "NA","Ingredient_formula": "C23H30O4","Ingredient_Smile": "CC(=CCCC(=CCCC1(C=CC2=CC(=CC(=C2O1)O)C(=O)OC)C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6378","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(6s,9r)-deoxyroseoside
{"Ingredient_id": "HBIN012811","Ingredient_name": "(6s,9r)-deoxyroseoside","Alias": "NA","Ingredient_formula": "C19H30O7","Ingredient_Smile": "CC1=CC(=O)CC(C1C=CC(C)OC2C(C(C(C(O2)CO)O)O)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5209","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
