Exact Mass: 318.2347
Exact Mass Matches: 318.2347
Found 500 metabolites which its exact mass value is equals to given mass value 318.2347,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Steviol
Steviol is an ent-kaurane diterpenoid that is 5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid in which the hydrogen at position 13 has been replaced by a hydroxy group. It has a role as an antineoplastic agent. It is a tetracyclic diterpenoid, a tertiary allylic alcohol, a monocarboxylic acid, a bridged compound and an ent-kaurane diterpenoid. It is a conjugate acid of a steviol(1-). Steviol is a natural product found in Ceriops decandra, Cucurbita, and other organisms with data available. Steviol is found in fruits. Steviol is isolated from Cucurbita maxima Rebaudioside B, D, and E may also be present in minute quantities; however, it is suspected that rebaudioside B is a byproduct of the isolation technique. The two majority compounds stevioside and rebaudioside, primarily responsible for the sweet taste of stevia leaves, were first isolated by two French chemists in 1931. Isolated from Cucurbita maxima Steviol is a major metabolite of the sweetening compound stevioside. Steviol slows renal cyst growth by reducing AQP2 expression and promoting AQP2 degradation[1]. Steviol is a major metabolite of the sweetening compound stevioside. Steviol slows renal cyst growth by reducing AQP2 expression and promoting AQP2 degradation[1].
15-KETE
15-OxoETE or 15-KETE is a keto-containing leukotriene derivative produced by oxidation of the 15-hydroxyl of 15-HETE. [HMDB] 15-OxoETE or 15-KETE is a keto-containing leukotriene derivative produced by oxidation of the 15-hydroxyl of 15-HETE.
18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is also known as 18-HEPE or 18(R)-Hydroxyeicosa-5Z,8Z,11E,14Z,16E-pentaenoate. 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic. 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid is an eicosanoid lipid molecule
5-KETE
5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid (5-oxo-ETE), 5-lipoxygenase product is a potent chemoattractant for neutrophils and eosinophils. Its actions are mediated by the oxoeicosanoid (OXE) receptor, a member of the G protein-coupled receptor family.(PMID:18292294) [HMDB] 5-oxo-6E,8Z,11Z,14Z-eicosatetraenoic acid (5-oxo-ETE), 5-lipoxygenase product is a potent chemoattractant for neutrophils and eosinophils. Its actions are mediated by the oxoeicosanoid (OXE) receptor, a member of the G protein-coupled receptor family.(PMID:18292294).
Leukotriene A4
Leukotriene A4 (LTA4) is the first metabolite in the series of reactions leading to the synthesis of all leukotrienes. 5-Lipoxygenase (5-LO) catalyzes the two-step conversion of arachidonic acid to LTA4.The first step consists of the oxidation of arachidonic acid to the unstable intermediate 5-hydroperoxyeicosatetraenoic acid (5-HPETE), and the second step is the dehydration of 5-HPETE to form LTA4. Leukotriene A4, an unstable epoxide, is hydrolyzed to leukotriene B4 or conjugated with glutathione to yield leukotriene C4 and its metabolites, leukotriene D4 and leukotriene E4. The leukotrienes participate in host defense reactions and pathophysiological conditions such as immediate hypersensitivity and inflammation. Recent studies also suggest a neuroendocrine role for leukotriene C4 in luteinizing hormone secretion. (PMID: 10591081, 2820055). 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. Leukotriene A4 (LTA4) is the first metabolite in the series of reactions leading to the synthesis of all leukotrienes. 5-Lipoxygenase (5-LO) catalyzes the two-step conversion of arachidonic acid to LTA4.The first step consists of the oxidation of arachidonic acid to the unstable intermediate 5-hydroperoxyeicosatetraenoic acid (5-HPETE), and the second step is the dehydration of 5-HPETE to form LTA4. Leukotriene A4, an unstable epoxide, is hydrolyzed to leukotriene B4 or conjugated with glutathione to yield leukotriene C4 and its metabolites, leukotriene D4 and leukotriene E4. The leukotrienes participate in host defense reactions and pathophysiological conditions such as immediate hypersensitivity and inflammation. Recent studies also suggest a neuroendocrine role for leukotriene C4 in luteinizing hormone secretion. (PMID: 10591081, 2820055)
Theasaponin A4
4,5-lta4, also known as 4r,5r-ep 7t9t11c14c-20:4 or 4r,5r-epoxy-7e,9e,11z,14z-eicosatetraenoic acid, is a member of the class of compounds known as epoxy fatty acids. Epoxy fatty acids are fatty acids containing an oxirane ring as part of the aliphatic chain. Thus, 4,5-lta4 is considered to be an eicosanoid lipid molecule. 4,5-lta4 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4,5-lta4 can be found in tea, which makes 4,5-lta4 a potential biomarker for the consumption of this food product.
Ineketone
Ineketone is found in cereals and cereal products. Ineketone is isolated from Oryza sativa (rice). Isolated from Oryza sativa (rice). Ineketone is found in cereals and cereal products and rice.
4,5alpha-Dihydro-2-(hydroxymethylene)testosterone
Oxymesterone
Oxymesterone is an anabolic steroid abused by some athletes and is tested for in regular preventive doping control analysis. Androgenic anabolic steroids (AAS) are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. Oxymesterone and other steroids can be detected in human urine using liquid chromatography/electrospray ionization orthogonal acceleration time-of-flight mass spectrometry (LCoaTOFMS) and gas chromatography/electron ionization orthogonal acceleration time-of-flight mass spectrometry (GCoaTOFMS), using methods that have been developed in order to acquire accurate full scan MS data to be used to detect designer steroids. (PMID: 17610244, 17667636, 17723876, 17723877, 2079979, 3308301, 8456050, 8674183, 8725393, 9216475) [HMDB] Oxymesterone is an anabolic steroid abused by some athletes and is tested for in regular preventive doping control analysis. Androgenic anabolic steroids (AAS) are defined as natural, synthetic or semi-synthetic drugs chemicals derived from testosterone, used with the aim to improve physical performance by increasing both muscle strength and mass. Despite their reported toxicological effects on the cardiovascular, hepatic and neuro-endocrine systems, the AAS have been extensively used in sports activities. Oxymesterone and other steroids can be detected in human urine using liquid chromatography/electrospray ionization orthogonal acceleration time-of-flight mass spectrometry (LCoaTOFMS) and gas chromatography/electron ionization orthogonal acceleration time-of-flight mass spectrometry (GCoaTOFMS), using methods that have been developed in order to acquire accurate full scan MS data to be used to detect designer steroids. (PMID: 17610244, 17667636, 17723876, 17723877, 2079979, 3308301, 8456050, 8674183, 8725393, 9216475). C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
16beta-Methyl-D-homo-17a-oxa-5alpha-androstane-3,17-dione
11beta-Hydroxy-12alpha-methyltestosterone
Galanolactone
Galanolactone is found in ginger. Galanolactone is a constituent of Alpinia galanga (greater galangal) Galanolactone is a diterpenoid lactone first isolated from ginger. It is known to be present in acetone extracts of ginger, and appears to be an antagonist at 5-HT3 receptors. Constituent of Alpinia galanga (greater galangal)
Grandiflorolic acid
Grandiflorolic acid is found in green vegetables. Grandiflorolic acid is a constituent of Aralia cordata (udo).
17,18-EpETE
17,18-EpETE can be metabolized to novel epoxyprostaglandins. (PubChem) [HMDB] 17,18-EpETE can be metabolized to novel epoxyprostaglandins. (PubChem).
12-KETE
12-keto-eicosatetraenoic acid is a biologically active eicosanoid in the nervous system of Aplysia.It is a metabolite of 12-HPETE formed by Aplysia nervous tissue. 12-KETE was identified in incubations of the tissue with arachidonic acid using HPLC, UV spectrometry, and gas-chromatography/mass spectrometry. [3H]12-KETE is formed from endogenous lipid stores in nervous tissue, labeled with [3H]arachidonic acid upon stimulation by application of histamine. In L14 and L10 cells, identified neurons in the abdominal ganglion, applications of 12-KETE elicit changes in membrane potential similar to those evoked by histamine.[PMID:2774398] [HMDB] 12-keto-eicosatetraenoic acid is a biologically active eicosanoid in the nervous system of Aplysia.It is a metabolite of 12-HPETE formed by Aplysia nervous tissue. 12-KETE was identified in incubations of the tissue with arachidonic acid using HPLC, UV spectrometry, and gas-chromatography/mass spectrometry. [3H]12-KETE is formed from endogenous lipid stores in nervous tissue, labeled with [3H]arachidonic acid upon stimulation by application of histamine. In L14 and L10 cells, identified neurons in the abdominal ganglion, applications of 12-KETE elicit changes in membrane potential similar to those evoked by histamine.[PMID:2774398].
11,20-Dihydroxyferruginol
An abietane diterpenoid that is ferruginol in which a hydrogen of the bridgehead methyl group and the hydrogen ortho to the phenolic hydroxy group have both been replaced by hydroxy groups.
ent-17-Hydroxy-15-kauren-19-oic acid
ent-17-Hydroxy-15-kauren-19-oic acid is found in corn. ent-17-Hydroxy-15-kauren-19-oic acid is isolated from Aralia cordata (udo). Isolated from Aralia cordata (udo). ent-17-Hydroxy-15-kauren-19-oic acid is found in green vegetables and corn.
12-HEPE
12-HEPE is hydroxy derivative of 12-lipoxygenase metabolites of Eicosapentaenoic acid (EPA). 12S-HEPE participates in platelet-neutrophil interactions in a manner similar to 12S-HETE. It can also compete with endogenous arachidonic acid for 5-lipoxygenation in stimulated human neutrophils. By providing competing substrates for neutrophil 5-lipoxygenase, platelets might contribute to the antiinflammatory potential of dietary n-3 fatty acids through platelet-neutrophil interaction. ( PMID: 2116491) [HMDB] 12-HEPE is hydroxy derivative of 12-lipoxygenase metabolites of Eicosapentaenoic acid (EPA). 12S-HEPE participates in platelet-neutrophil interactions in a manner similar to 12S-HETE. It can also compete with endogenous arachidonic acid for 5-lipoxygenation in stimulated human neutrophils. By providing competing substrates for neutrophil 5-lipoxygenase, platelets might contribute to the antiinflammatory potential of dietary n-3 fatty acids through platelet-neutrophil interaction. ( PMID: 2116491).
5-HEPE
5-HEPE is a major eicosanoid formed from eicosapentaenoic acid (EPA). 5-HEPE is produced in human neutrophils. The eicosanoids are a diverse family of molecules that have powerful effects on cell function. They are best known as intercellular messengers, having autocrine and paracrine effects following their secretion from the cells that synthesize them. The diversity of possible products that can be synthesized from eicosatrienoic acid is due, in part to the variety of enzymes that can act on it. Studies have placed many, but not all, of these enzymes at or inside the nucleus. In some cases, the nuclear import or export of eicosatrienoic acid-processing enzymes is highly regulated. Furthermore, nuclear receptors that are activated by specific eicosanoids are known to exist. (PMID: 8847485, 15896193) [HMDB] 5-HEPE is a major eicosanoid formed from eicosapentaenoic acid (EPA). 5-HEPE is produced in human neutrophils. The eicosanoids are a diverse family of molecules that have powerful effects on cell function. They are best known as intercellular messengers, having autocrine and paracrine effects following their secretion from the cells that synthesize them. The diversity of possible products that can be synthesized from eicosatrienoic acid is due, in part to the variety of enzymes that can act on it. Studies have placed many, but not all, of these enzymes at or inside the nucleus. In some cases, the nuclear import or export of eicosatrienoic acid-processing enzymes is highly regulated. Furthermore, nuclear receptors that are activated by specific eicosanoids are known to exist. (PMID: 8847485, 15896193).
Yucalexin B20
Yucalexin B18 is found in root vegetables. Yucalexin B18 is a constituent of Manihot esculenta (cassava root). Constituent of cassava Manihot esculenta. Yucalexin B20 is found in root vegetables.
Yucalexin A19
Yucalexin A19 is found in root vegetables. Yucalexin A19 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin A19 is found in root vegetables.
Yucalexin P17
Yucalexin P17 is found in root vegetables. Yucalexin P17 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin P17 is found in root vegetables.
Galanal A
Galanal B is found in herbs and spices. Galanal B is a constituent of seeds of Alpinia galanga (greater galangal). Constituent of seeds of Alpinia galanga (greater galangal). Galanal B is found in herbs and spices.
12alpha-12-Hydroxy-7,13-abietadien-18-oic acid
12alpha-12-Hydroxy-7,13-abietadien-18-oic acid is a constituent of Pinus sylvestris (Scotch pine). Constituent of Pinus sylvestris (Scotch pine)
Yucalexin B22
Yucalexin B22 is found in root vegetables. Yucalexin B22 is a constituent of cassava roots (Manihot esculenta). Constituent of cassava roots (Manihot esculenta). Yucalexin B22 is found in root vegetables.
(ent-15beta)-15,19-Dihydroxy-7-trachylobanone
(ent-15beta)-15,19-Dihydroxy-7-trachylobanone is found in fats and oils. (ent-15beta)-15,19-Dihydroxy-7-trachylobanone is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). 15beta,19-ent-Dihydroxy-7-trachylobanone is found in fats and oils.
11R-HEPE
11(R)-HEPE is produced by the oxidation of EPA by 11(R)-LO. This enzymatic activity and the resulting 11(R)-hydroxy acid have been isolated from the sea urchin S. purpuratus [HMDB] 11(R)-HEPE is produced by the oxidation of EPA by 11(R)-LO. This enzymatic activity and the resulting 11(R)-hydroxy acid have been isolated from the sea urchin S. purpuratus.
Methyl [8]-Shogaol
Methyl [8]-Shogaol is found in ginger. Methyl [8]-Shogaol is isolated from ginger (Zingiber officinale) [DFC] (Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC. Isolated from ginger (Zingiber officinale) [DFC]. Methyl [8]-Shogaol is found in ginger.
15-HEPE
15-HEPE has been identified as a possible anti-inflammatory metabolite, and its elevated presence in the epidermis of animals fed oils rich in 20:5(n-3) or 18:3(n-6) may provide a mechanism for the beneficial effects of these oils on inflammatory conditions. 15-HEPE is a metabolite of eicosapentaenoic acid (EPA) which has anti-inflammatory properties and plays an important role in the resolution phase of inflammation. 15-HEPE is deposited in the epidermis, particularly in the metabolically active basal layer. This is considered advantageous in psoriasis therapy. (PMID: 17540633, 2106017) [HMDB] 15-HEPE has been identified as a possible anti-inflammatory metabolite, and its elevated presence in the epidermis of animals fed oils rich in 20:5(n-3) or 18:3(n-6) may provide a mechanism for the beneficial effects of these oils on inflammatory conditions. 15-HEPE is a metabolite of eicosapentaenoic acid (EPA) which has anti-inflammatory properties and plays an important role in the resolution phase of inflammation. 15-HEPE is deposited in the epidermis, particularly in the metabolically active basal layer. This is considered advantageous in psoriasis therapy. (PMID: 17540633, 2106017).
2-Hydroxy-6-(8-tridecenyl)benzoic acid
2-Hydroxy-6-(8-tridecenyl)benzoic acid is found in nuts. 2-Hydroxy-6-(8-tridecenyl)benzoic acid is isolated from pistachio shells. Isolated from pistachio shells. 2-Hydroxy-6-(8-tridecenyl)benzoic acid is found in nuts.
Atractyligenin
Atractyligenin is a diterpene that is found in many coffees and is largely excreted, unchanged, in urine. It is thought to be a good marker for coffee consumption. About 70\\% of the total atractyligenin in roast coffee is extracted during the brewing process. Robusta coffees tend to have only 10\\% of the atractyligenin content of Arabica coffees.
15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid
15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid, also known as 15S-HEPE, is classified as a member of the Hydroxyeicosapentaenoic acids. Hydroxyeicosapentaenoic acids are eicosanoic acids with an attached hydroxyl group and five CC double bonds. 15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic. 15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid is an eicosanoid lipid molecule
5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid
5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid is classified as a member of the Hydroxyeicosapentaenoic acids. Hydroxyeicosapentaenoic acids are eicosanoic acids with an attached hydroxyl group and five CC double bonds. 5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid is considered to be practically insoluble (in water) and acidic. 5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid is an eicosanoid lipid molecule
(+/-)-18-Hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
(+/-)-8-Hydroxy-5Z,9E,11Z,14Z,17Z-eicosapentaenoic acid
(1R,4R,5R,9S,10R,13S)-5,9,13-Trimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
5,8,11,14-Hexadecatetraenoicacid, 16-[(2R,3S)-3-ethyl-2-oxiranyl]-, (5Z,8Z,11Z,14Z)-rel-
2-Oxahexacyclo[15.3.1.03,20.06,19.09,18.010,15]henicosane-16,21-diol
4-Oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosane-6,7-diol
Ciliaric acid
Ciliaric acid, also known as ciliarate, is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Ciliaric acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ciliaric acid can be found in sunflower, which makes ciliaric acid a potential biomarker for the consumption of this food product.
ent-7alpha-hydroxykaur-16-en-19-oate
Ent-7alpha-hydroxykaur-16-en-19-oate is a member of the class of compounds known as kaurane diterpenoids. Kaurane diterpenoids are diterpene alkaloids with a structure that is based on the kaurane skeleton. Kaurane is a tetracyclic compound that arises by cyclisation of a pimarane precursor followed by rearrangement. It possesses a [3,2,1]-bicyclic ring system with C15-C16 bridge connected to C13, forming the five-membered ring D. Ent-7alpha-hydroxykaur-16-en-19-oate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ent-7alpha-hydroxykaur-16-en-19-oate can be found in a number of food items such as greenthread tea, cardamom, agave, and hickory nut, which makes ent-7alpha-hydroxykaur-16-en-19-oate a potential biomarker for the consumption of these food products.
Isosteviol
Isosteviol is a diterpenoid. Isosteviol is a natural product found in Ceriops decandra with data available. See also: Stevia rebaudiuna Leaf (part of). Isosteviol ((-)-Isosteviol) is a derivative of Stevioside through acid catalyzed hydrolysis of Stevioside. Isosteviol inhibits DNA polymerase and DNA topoisomerase and has antibacterial, anticancer and anti-tuberculosis effects[1][2][3][4]. Isosteviol ((-)-Isosteviol) is a derivative of Stevioside through acid catalyzed hydrolysis of Stevioside. Isosteviol inhibits DNA polymerase and DNA topoisomerase and has antibacterial, anticancer and anti-tuberculosis effects[1][2][3][4].
hypodiolide A
Tripterifordin is a natural product found in Gynocardia odorata and Tripterygium wilfordii with data available.
(8alpha,13R)-8,13-Epoxy-2-hydroxy-1,14-labdadien-3-one
ent-15,16-Epoxy-7,13(16),14-labdatriene-2alpha,3beta-diol
Isocoronarin D
Tripterifordin
A kaurane diterpenoid that is (5beta,8alpha,13alpha)-18,20-epoxykauran-18-one substituted by a hydroxy group at position 16. Isolated from the roots of Tripterygium wilfordii, it exhibits anti-HIV activity.
Rhinocerotinoic acid
3-Hydroxy-3,7-dimethyl-1-(2-methyl-1-propenyl)-4,6,8-nonatrienyl ester 2-methyl-2-butenoic acid
ent-15,16-Epoxy-8(17),13(16),14-labdatriene-3beta,18-diol
[1S-[1alpha,2beta(Z),4aalpha,8aalpha]]-1,2,4a,5,6,8a-Hexahydro-4a-hydroxy-4,7-dimethyl-1-(1-methylethyl)-2-naphthalenyl ester 2-methyl-2-butenoic acid
2alpha-Hydroxy-3alpha,4alpha-epoxy-ent-cleroda-13(16),14-diene-15,16-oxide
2-[2-(2,3,3a,4,5,7a-Hexahydro-3,6-dimethyl-2-benzofuranyl)ethylidene]-6-methyl-5-heptenoic acid
2-[(3,4,4a,5,6,8a-Hexahydro-4,7-dimethyl-2H-1-benzopyran-2-yl)methylene]-6-methyl-5-heptenoic acid
2alpha-Hydroxy-3-oxo-4betaH-ent-cleroda-13(16),14-diene-15,16-oxide
Yucalexin B22
(-)-16beta,17-epoxykauran-19-oic acid|ent-16beta,17-epoxy-kauran-19-oic acid
10betaH-6beta-(2-methylbutyryloxy)furanoeremophilane
12,16-epoxy-5alpha-hydroxycassa-12,15-dien-19-ol|7-dehydroxycaesaldekarin I
1-[2-(3-Furanyl)ethyl]-1,2-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalene-4a,5-dimethanol
ent-7beta,18-dihydroxykaur-15-oxo-16-ene|ent-7beta-hydroxy-15-oxokaur-16-en-18-ol
(3beta,12alpha,13alpha)-3,12-dihydroxypimara-7,15-dien-2-one
2-(2-Formyl-3-hydroxymethy1-2-cyclopentenyl)-6, 10-demethy1-5, 9-undecadienal
2-Hydroxy-6-((Z)-8-tridecenyl)benzoic acid|2-Hydroxy-6-<(Z)-8-tridecenyl>benzoic acid|6-<8(Z)- tridecenyl>salicylic acid
7R*-hydroperoxy-14-keto-1S*,11S*-dolabell-3Z,8E,12Z-triene
(1R*,2E,4S*,7E,11E)-1-isopropyl-4-hydroxy-4,8-dimethyl-21-oxabicyclo[10.2.2]hexadeca-2,7,11-trien-20-one|(1R*,2E,4S*,7E,11Z)-1-isopropyl-4-hydroxy-4,8-dimethyl-21-oxabicyclo[10.2.2]hexadeca-2,7,11-trien-20-one|laevigatlactone A|laevigatlactone C
(3beta,14alpha)-14-ethenyl-3-hydroxy-13-(hydroxymethyl)podocarp-12-en-2-one|3beta,17-dihydroxycleistantha-12,15-dien-2-one
ent-16-hydroxy-13-pimar-8(14)-ene-3,15-dione|ent-16-hydroxy-13[R]-pimar-8(14)-ene-3,15-dione|ent-16-Hydroxy-8(14)-pimarene-3,15-dione
(1R,4R,5S,6S,7R)-1-isovaleryloxyaristol-9-en-8-one|kanshone F
14-Serrulatene-2,8,20-triol|2,8,20-trihydroxyserrulat-14-ene
2-??-Hydroxy-cis-cleroda-3,13(Z),8(17)-trien-15-oic acid
(12R)-12-Hydroxy cascarill one|(12R)-12-hydroxycascarillone
(2R*,3S*,6R*,7S*,10R*)-7-hydroxy-2,6-cyclo-1(9),13-xenicadiene-18,19-dial|7-hydroxy-2,6-cyclohexenica-9,13-diene-18,19-dial
15-hydroxyabieteic acid|15-hydroxyabietic acid|7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydro-phenanthrene-1-carboxylic acid
(13R)-13-hydroxy-8(17),11E,14-labdatrien-18-oic acid
7beta-hydroxytrachyloban-18-oic acid|Trachylobane-318
(11E, 13E)-form-15-Hydroxy-8(17), 11, 13-labdatrien-19-oic acid
(12E)-15-norlabda-8(20),12-diene-14-carboxaldehyde-19-oic acid
12,15-epoxy-8(17),13-labdadien-18-oic acid|12,15-epoxylabda-8-(20),13-dien-18-oic acid
3alpha-hydroxy-labda-8(17),12E,14-trien-19-oic acid
1(15),6Z,12E-3,4-epoxy-8,11-peroxy-1(15),6,12-cembratriene
14, alpha-hydroxy, sandarocopimar-7,15-diene-19-oic acid|14alpha-hydroxy-7,15-isopimaradien-18-oic acid|14alpha-hydroxy-isopimaric acid|14alpha-hydroxyisopimaric acid|calliphyllin
7R*-hydroperoxy-13-keto-1R*,11S*-dolabell-3E,8E,12(18)-triene
2alpha-hydroxy-ent-labda-8(17),13-dien-15,16-olide
(2E,4E,9Z)-1-hydroxyoctadecatrien-6-yn-18-yl acetate
16-hydroxy-11-kauren-19-oic acid|16alpha-hydroxy-ent-kaur-11-en-19-oic acid
15-norlabda-8(17),12(E)-dine-14-carboraldehyde-19-oic acid methyl ester|15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid methyl ester
8alpha-tigloyloxy-1beta,10beta-epoxyeremophil-11(13)-ene
3alpha,12alpha-dihydroxy-ent-8(14),15-isopimaradien-18-al
(1R,3S,4R,7Z,11S,12S)-3-hydroxydolabella-7,18-dien-4,17-olide
16-hydroxy-5(10),13-ent-halimadien-15,16-olide|16-hydroxy-ent-halima-5(10),13-dien-15,16-olide|16-hydroxyent-halima-5(15),13-dien-16,15-olide
(ent-11xi,15xi)-11,15-Epoxy-15-hydroxy-4(18),12-clerodadien-16-al
19,20-dihydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatriene
(ent-15beta)-15-Hydroxy-16-kauren-19-oic acid|Grandiflorolic acid
(4R,5S,8R,9R,10S,13S)-ent-17-Hydroxy-16-oxobeyeran-19-al|(4R,5S,8R,9R,10S,13S)-ent-17-hydroxy-16-oxybeyeran-19-al|17-hydroxy-16-oxobeyeran-19-al
7(S)-hydroperoxy-13-keto-(1S,11R)-dolabella-3(E),8(17),12(18)-triene|calyculatine
(2beta,4beta,7beta)-2,20-dihydroxy-7-methyl-7-vinylpodocarp-8(14)-en-13-one|amentotaxin BB
(+)-spatol|15,16:17,18-Diepoxy-13-spaten-5-ol|spatol
5alpha-hydroxy-9alpha,13-epoxy-labda-7,14-diene-6-one
2,14-dihydroxycalamen-14-O-(2-methylbutyrate)|2,14-dihydroxycalamen-14-O-<2-methylbutyrate>
1-Ketone-8(14),15-Isopimaradiene-1,6,9-triol|sandaracopimaradien-6beta,9alpha-diol-1-one
2-Hydroxy-3,13-clerodadien-15,16-olide|2beta-hydroxy-5beta,10beta-cis-17alpha,20alpha-cleroda-3,13(14)-diene-15,16-olide
12-Ketone-(8alpha,13S)-15,16-Epoxy-13(16),14-labdadiene-8,12-diol
7,8-epoxy-1-hydroxy-13 keto-3,7,11,15-tetramethylhexadeca-2E,5E,10E-14-tetraene
(ent-16beta)-16-Hydroxy-19,20-kauranedial|16alpha-hydroxykaurane-19,20-dial
(ent-3??)-form-3, 19-Dihydroxy-16-kauren-7-one|ent-3beta,19-dihydroxy-7-oxokaur-16-ene
Coronarin D
(+)-(1R*,4S*,10R*)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide|(+)-[1R*,4S*,10R*]-4-hydroxycembra-2E,7E,11-trien-20,10-olide
12alpha-hydroxy-8,15-isopimaradien-18-oic acid
A natural product found in Metasequoia glyptostroboides.
ent-3beta,11alpha-dihydroxyisopimara-8(14),15-dien-2-one
17-hydroxy-3,4-secokaur-4(18),15-dien-3-oic acid|agallochaol K
3beta-hydroxy-labda-8(17),13(14)-dien-12(15)-olide
(1R,3E,7S,9R,11S,12S)-7,9-dihydroxy-14-oxo-3,8(17),18-dolabellatriene
12-(R)-hydroxy-ent-atiseren-19-oic acid|platencin SL3
(1R,3S,4S,7S,11S,12S)-3,4-epoxy-7-hydroxy-14-oxo-8(17),18-dolabelladiene
4-(2-(1-Hydroxy-2,5,5,8a-tetramethyldecalin-4-ene-1-yl)ethyl)furan-2(5H)-one
12alpha,14alpha-dihydroxyl-3-oxoisopimara-8(9),15-diene|excoecarin F
(12R)-12-hydroxylabda-8(17),13(16),14-trien-19-oic acid|(1S,4aR,5S,8aR)-decahydro-5-[(2R)-2-hydroxy-3-methylidenepent-4-en-1-yl]-1,4a-dimethyl-6-methylidenenaphthalene-1-carboxylic acid|12R-hydroxy-labda-8(17),13(16),14-trien-19-oic acid|fokihodgin F
1beta,14alpha-dihydroxy-ent-pimara-8,15-dien-7-one|pedinophyllol F
11alpha,12beta-epoxy-5alpha-hydroxy-1betaH,2alphaH-casba-3Z,7E-dien-18-al|pekinenin D
rubesanolide D
An abietane diterpenoid found in the medicinal plant Isodon rubescens that is 7alpha,8beta-dihydroxyabiet-13-ene in which the 20-methyl group has undergone formal oxidation to the corresponding carboxy group and condensed with the 8-hydroxy group to give the corresponding gamma-lactone. It has shown inhibitory activity against biofilm formation of the dental bacterium Streptococcus mutans.
(1S,7R,8R,11R,3E)-7,8-epoxycembra-11-hydroxy-3,12(20),15-(17)-trien-18-al|11(R)-hydroxy-12(20)-en-knightal
(2-(sec-butyl)-5-hydroxy-1,6,8-trimethyl-2,5,6,7,8,8a-hexahydro-1H-4a,1-(epoxymethano)naphthalen-10-ylidene)acetaldehyde|coicenal D
abieta-8,11,13-triene-7,15,18-triol
(rel-8R,9R,10S,13S)-9,13-epoxylabda-5-en-15,16-olide|vitextrifolin G
8beta,10beta-dihydroxyicetexa-9(11),13-dien-12-one|fokihodgin J
1beta,9beta-dihydroxy-ent-pimara-7,15-dien-14-one|pedinophyllol A
15beta,18-dihydroxy-ent-kaur-16-en-3-one|wikstroemioidin L
7alpha-hydroxycleroda-3,13-dien-15,16-olide|7alpha-hydroxysolidagolactone I
1beta,9beta-dihydroxy-ent-pimara-8(14),15-dien-7-one|pedinophyllol C
(10-(sec-butyl)-6-hydroxy-1,7,9-trimethyl-1,6,7,8,9,9a-hexahydro-1,4-methanobenzo-[d]oxepin-2(4H)-ylidene)acetaldehyde|coicenal A
1beta,7beta-dihydroxy-ent-pimara-8,15-dien-14-one|pedinophyllol D
(2E,10E)-1-hydroxy-6,13-diketo-7-methylene-3,11,15-trimethylhexadeca-2,10,14-triene
ent-12-Oxo-8,13(16)-labdadien-15-oic acid|ent-12-oxolabda-8,13(16)-dien-15-oic acid
(1R*,2R*,3E,7E,11E)-1-isopropyl-2-hydroxy-4,8-dimethyl-21-oxabicyclo[10.2.2]hexadeca-3,7,11-trien-20-one|laevigatlactone D
13-hydroxyloba-8,10,15(E),17(E)-tetraen-19-oic acid
16,18-dihydroxykolavenic acid lactone|4-{2-[(1R*,2S*,4aS*,8aS*)-1,2,3,4,4a,7,8,8a-octahydro-5-(hydroxymethyl)-1,2,4a-trimethylnaphthalen-1-yl]ethyl}-furan-2(5H)-one
18-Hydroxy-2(4),14-decipiadien-1-oic acid|18-hydroxydecipi-2(4),14-dien-1-oic acid
(+)-4,5-deoxyneodolabelline|(1R,6S,7S,10S,11S)-10-hydroxy-6-isopropyl-7,10,14-trimethyl-15-oxatricyclo[9.3.1.03,7]pentadeca-3,13-diene-9-one|4,5-deoxyneodolabelline
6alpha-6-Hydroxy-8(14)-,15-isopimaradien-18-oic acid
9,10-Seco-8S,13S-Epoxy-abiet-8(14)-en-18,10??-olide
(-)-(5R,8S,9S,10R)-7-oxo-clerodan-3,13E-dien-15-oic acid|(-)-7-oxo-kolavenic acid|(2E)-5-[(1R,2S,4aR,8aR)-1,2,4a,5-tetramethyl-3-oxo-1,2,4,4a,7,8,8a-heptahydronaphthyl]-3-methylpent-2-enoic acid|(ent-13E)-7-Oxo-3,13-clerodadien-15-oic acid|7-oxo-ent-clerodan-3,13E-dien-15-oic acid|7-oxo-kolavenic acid
8-Angeloyl-3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
16,17-dihydroxy-ent-kaur-9(11)-en-19-al|16??,17-Dihydroxy-ent-9(11)-kauren-19-al
2alpha-hydroxy-ent-labda-8(17),13-dien-16,15-olide
(1S*,3R*,4R*,6S*,11S*)-3,4-Epoxy-6-hydroxy-dolabella-7E,12-dien-14-one
(3S)-14-isopropyl-3,13,19-trihydroxy-8,11,13-podocarpatriene|inumakiol H
8beta-hydroxy-15-isopimarane-3,12-dione|trogopteroid B
3beta,19-dihydroxy-8(9),15-isopimaradien-7-one|3??,19-Dihydroxy-8(9),15-isopimaradien-7-one
(5S,6S,9R,10S,13R)-6,20-dihydroxy-sandaracopimara-7,15-dien-14-one|negundoin G
17-Hydroxy-3,4-seco-4(18),15-beyeradien-3-oic acident|17-Hydroxy-3,4-seco-beyer-4(18),15-dien-3-saeure|17-Hydroxy-3.4-seco-beyera-4(18),15-dien-3-saeure
17-hydroxy-3,4-seco-ent-atis-15-en-3-oic acid|agallochaol J
8-Oxo-8-Hydroxy-5,9,11,14-eicosatetraenoic acid,9CI
3R,4R,7R,8R-diepoxy-13-keto-1R,11S-dolabell-12(18)-ene
3beta-hydroxy sandaracopimaric acid|3beta-hydroxysandaracopimaric acid|3??-Hydroxysandara copimaric acid
10-hydroxy-9,10-secoabieta-8,11,13-trien-18-oic acid|rel-(1R,2S,3R)-3-hydroxy-1,3-dimethyl-2-{2-[3-(1-methylethyl)phenyl]ethyl}cyclohexanecarboxylic acid
2alpha,12,18-trihydroxyabieta-8,11,13-triene|fortunin J
7alpha,20-dihydroxycleroda-3,13(16),14-triene-15,16-oxide|7alpha20-dihydroxyannonene
2-[1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydro-7-hydroxy-4b,8,8-trimethylphenanthren-2-yl]propenoic acid|macrocalyxin I
11,12,20-trihydroxy-abieta-8,11,13-triene|8,11,13-abietatriene-11,12,20-triol|abieta-8,11,13-triene-11,12,20-triol|abietatriene triol
(9R)-9-hydroxydichotoma-2,14-diene-19,20-dial|(9S)-9-hydroxydichotoma-2,14-diene-19,20-dial
(ent-3alpha,4alpha,5alpha)-3,4-Epoxy-13-cleroden-15,16-olide|3,4beta-epoxy-5beta,10beta-cis-17alpha,20alpha-cleroda-13(14)-en-15,16-olide
(3E, 7S, 8R, 11Z)-form-7-Hydroxy-3, 11, 15-cembratrien-20, 8-olide|(3E,7S,11Z)-7-hydroxy-3,11,15-cembratrien-20,28-olide
17,18-EpETE
17,18-EpETE can be metabolized to novel epoxyprostaglandins. (PubChem) [HMDB] 17,18-EpETE can be metabolized to novel epoxyprostaglandins. (PubChem).
Andrograpanin
Andrograpanin is a natural product found in Andrographis paniculata, Potamogeton natans, and Andrographis affinis with data available. Andrograpanin, a bioactive compound from Andrographis paniculata, exhibits anti-inflammatory and anti-infectious properties[1][2]. Andrograpanin, a bioactive compound from Andrographis paniculata, exhibits anti-inflammatory and anti-infectious properties[1][2].
12-HEPE
A hydroxyicosapentaenoic acid that consists of 5Z,8Z,10E,14Z,17Z-icosapentaenoic acid bearing an additional 12-hydroxy substituent. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0085.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_1min0085.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_1min0085.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_0001281.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_0001281.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_0001281.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_0001281.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_0001281.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] NATIVE_RUN_ID QExHF03_NM_0001281.mzML; CONFIDENCE standard compound; 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_0001281.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
15-HEPE
A hydroxyicosapentaenoic acid that consists of 5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid bearing an additional 15-hydroxy substituent. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0208.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_1min0208.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_1min0208.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_0000139.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_0000139.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_0000139.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_0000139.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_0000139.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_0000139.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
18-HEPE
A hydroxyicosapentaenoic acid that consists of 5Z,8Z,11Z,14Z,16E-icosapentaenoic acid with the hydroxy group located at position 18. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0199.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_1min0199.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_1min0199.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_0000131.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_0000131.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_0000131.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_0000131.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_0000131.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_0000131.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
5-HEPE
A hydroxyicosapentaenoic acid that consists of 6E,8Z,11Z,14Z,17Z-icosapentaenoic acid with the hydroxy group located at position 5. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0203.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_1min0203.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_1min0203.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_0000133.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_0000133.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_0000133.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_0000133.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_0000133.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_0000133.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
