Exact Mass: 268.1562128
Exact Mass Matches: 268.1562128
Found 500 metabolites which its exact mass value is equals to given mass value 268.1562128,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Diethylstilbestrol
Diethylstilbestrol is a synthetic estrogen that was developed to supplement a womans natural estrogen production. In 1971, the Food and Drug Administration (FDA) issued a Drug Bulletin advising physicians to stop prescribing DES to pregnant women because it was linked to a rare vaginal cancer in female offspring. Diethylstilbesterol is found in gram bean. Diethylstilbestrol is a synthetic nonsteroidal estrogen used in the treatment of menopausal and postmenopausal disorders. It was also used formerly as a growth promoter in animals. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), diethylstilbestrol has been listed as a known carcinogen. (Merck, 11th ed). G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens
Michlers ketone
INTERNAL_ID 250; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9492; ORIGINAL_PRECURSOR_SCAN_NO 9487 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9500; ORIGINAL_PRECURSOR_SCAN_NO 9498 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9534; ORIGINAL_PRECURSOR_SCAN_NO 9532 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9547; ORIGINAL_PRECURSOR_SCAN_NO 9546 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9470; ORIGINAL_PRECURSOR_SCAN_NO 9468 CONFIDENCE standard compound; INTERNAL_ID 250; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9519 CONFIDENCE standard compound; INTERNAL_ID 2291 CONFIDENCE standard compound; INTERNAL_ID 8123 CONFIDENCE standard compound; INTERNAL_ID 4144
Equilin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Same as: D04041
Histidylleucine
C12H20N4O3 (268.15353300000004)
Histidylleucine is a dipeptide composed of histidine and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
N-(p-Hydroxyphenethyl)actinidine
N-(p-Hydroxyphenethyl)actinidine is found in fats and oils. Quaternary alkaloid from the roots of Valeriana officinalis (valerian
4-METHYL-2,4-BIS(4-HYDROXYPHENYL)PENT-1-ENE
3-Methylcholanthrene
RIPAZEPAM
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Acoric acid
Acoric acid is found in herbs and spices. Acoric acid is a constituent of Acorus calamus (sweet flag) Felypressin is a synthetic analog of lypressin or vasopressin with more vasoconstrictor activity than antidiuretic action. It is used primarily as a hemostatic. Felypressin is a non-catecholamine vasoconstrictor that is chemically related to vasopressin, the posterior pituitary hormone. Constituent of Acorus calamus (sweet flag) [DFC]. Acoric acid is found in herbs and spices and root vegetables. D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D014667 - Vasopressins D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4,11,13,15-Tetrahydroridentin B
Constituent of Taraxacum officinale (dandelion). 4,11,13,15-Tetrahydroridentin B is found in many foods, some of which are alcoholic beverages, beverages, coffee and coffee products, and dandelion. 4,11,13,15-Tetrahydroridentin B is found in alcoholic beverages. 4,11,13,15-Tetrahydroridentin B is a constituent of Taraxacum officinale (dandelion)
Kamahine C
Kamahine A is a constituent of honey from Weinmannia racemosa. Found in honey from Kamali (Weinmannia racemosa)
3,11,12-Trihydroxy-1(10)-spirovetiven-2-one
3,11,12-Trihydroxy-1(10)-spirovetiven-2-one is found in alcoholic beverages. 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one is a constituent of potato tubers infected with Phoma exigua. Constituent of potato tubers infected with Phoma exigua. 3,11,12-Trihydroxy-1(10)-spirovetiven-2-one is found in alcoholic beverages and potato.
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
3-Carboxy-4-methyl-5-pentyl-2-furanpropanoic acid is a urofuranic acid. Urofuranic acids are usually derived from furanoic acids, and have two carboxyl groups at the 3- and 4-positions of the furan ring.
Bisacurone epoxide
Constituent of Curcuma xanthorrhiza (Java turmeric). Bisacurone epoxide is found in herbs and spices, beverages, and root vegetables. Bisacurone epoxide is found in beverages. Bisacurone epoxide is a constituent of Curcuma xanthorrhiza (Java turmeric).
Deoxydihydro-artemisinin
Deoxydihydro-artemisinin is a metabolite of artemisinin. Artemisinin, also known as Qinghaosu, and its derivatives are a group of drugs that possess the most rapid action of all current drugs against Plasmodium falciparum malaria. Treatments containing an artemisinin derivative (artemisinin-combination therapies, ACTs) are now standard treatment worldwide for P. falciparum malaria. The starting compound artemisinin is isolated from the plant Artemisia annua, sweet wormwood, an herb employed in Chinese traditional medicine. (Wikipedia)
1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone
1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is found in potato. 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is a stress metabolite from Ipomoea batatas (sweet potato). Stress metabolite from Ipomoea batatas (sweet potato). 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone is found in root vegetables and potato.
Prostaglandin lactone-diol
Prostaglandin lactone-diol is a chiral intermediate used to prepare prostaglandins (PGs) and PG analogs.
Isoleucyl-Histidine
C12H20N4O3 (268.15353300000004)
Isoleucyl-Histidine is a dipeptide composed of isoleucine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Histidylisoleucine
C12H20N4O3 (268.15353300000004)
Histidylisoleucine is a dipeptide composed of histidine and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Leucyl-Histidine
C12H20N4O3 (268.15353300000004)
Leucyl-Histidine is a dipeptide composed of leucine and histidine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Hesperaline
Hesperaline is found in brassicas. Hesperaline is an alkaloid from seeds of damask violet (Hesperis matronalis Cruciferae
Estra-1,3,5,7,9-pentaene-3,17beta-diol
4-Bis(2-hydroxyethyl)amino-L-phenylalanine
C13H20N2O4 (268.14230000000003)
Histidinyl-Leucine
C12H20N4O3 (268.15353300000004)
1-Methyl-1,2-dihydrobenzo[j]aceanthrylene
[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl] (2S,3S)-2-amino-3-methylpentanoate
C12H20N4O3 (268.15353300000004)
Estrogen
A steroid hormone that stimulates or controls the development and maintenance of female sex characteristics in mammals by binding to oestrogen receptors. The oestrogens are named for their importance in the oestrous cycle. (ChEBI). Estrogen is found in date and apricot. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens
[4]-Gingerdiol
[4]-gingerdiol 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. [4]-gingerdiol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [4]-gingerdiol can be found in ginger, which makes [4]-gingerdiol a potential biomarker for the consumption of this food product.
[3S-(3alpha,3aalpha,5abeta,6beta,9alpha,9aalpha,9bbeta)]-Decahydro-6,9-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
2-Hydroperoxy-10-hydroxy-2,6,10-trimethyl-3,6,11-dodecatrien-5-one
Papyracon B
Trichotriol
Naphtho[1,2-c]furan-1,5,9b(1H)-triol,3,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethyl-, (1R,5R,5aS,9aS,9bS)-
Arteincultone
Plucheinol
(2beta,5alpha,8beta,10alpha)-9(12)-Capnellene-2,5,8,10-tetrol
2a,7a-Dihydroxy-3,6,7b-trimethyl-6-(hydroxymethyl)-2,2a,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indene-4(3H)-one
(3beta,8beta,10alpha)-9(12)-Capnellene-3,8,10,14-tetrol
Arbusculin E
Dendroserin
Papyracon C
2,3-Dicyanospiro[cyclohexane-1,5-cyclohexano[1,2-e]diazepine]
Ramacemide
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System D020011 - Protective Agents
1beta,5alpha-dihydroxy-4alpha,11alphaH-eudesma-12,8beta-olide
(3R*,3aS*,4aS*,5R*,7aS*,8R*,9aS*)-decahydro-5,8-dihydroxy-3,5,8-trimethylazuleno[6,5-b]furan-2(3H)-one|4beta,10beta-dihydroxy-1alphaH,5alphaH,11alphaH-guaian-12,8beta-olide
2-Methyl-6-methoxy-4-phenyl-2,3-dihydro-3,3-dimethylbenzofuran
8a-hydroxy-7-methoxy-3,3,6,8,8-pentamethyl-1,2-benzodioxin-5-one
3,4-dihydroxy-5-(1-hydroxy-1,5-dimethyl-4-hexenyl)-2-methylenecyclohexanone|antheminone C
Salviolone
Salviolone is a natural product found in Salvia miltiorrhiza and Salvia paramiltiorrhiza with data available.
mitissimolone|rel-(2R,3aS,4R,6S,8R,8aS)-2,8-dihydroxy-3a,6-dimethyl-4-(2-methylprop-1-en-1-yl)octahydro-5H-cyclohepta[b]furan-5-one
butyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate
peroxylippidulcine C|rel-(6S,1S,4S)-6-(1-hydroxy-4-hydroperoxy-1,5-dimethyl-5-hexenyl)-3-methyl-2-cyclohexenone
2-[(1R*,4R*,4aR*,6S*,8aR*)-1,2,3,4,4a,5,6,8a-octahydro-4,6-dihydroxy-4,7-dimethylnaphthalen-1-yl]propanoic acid|2beta,9alpha-dihydroxycadin-3(4)-en-12-acid|indicumolide C
4-hydroxy-5-(1-hydroxy-1,5-dimethyl-4-hexenyl)-2-(hydroxymethyl)-2-cyclohexen-1-one|antheminone A
(+-)-(2Xi,3aXi)-2-Methoxy-(3ar,7at)-hexahydro-spiro[cyclopropan-1,2-indan]-2r,3c-dicarbonsaeure|(+-)-(2Xi,3aXi)-2-methoxy-(3ar,7at)-hexahydro-spiro[cyclopropane-1,2-indan]-2r,3c-dicarboxylic acid
3alpha,4beta-dihydroxy-5betaH,11alphaH-eudesman-6,12-olide|3??,4??-Dihydroxy-5??H,11??H-eudesman-6,12-olide
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
(1S,9S)-2alpha,3beta,6alpha-trihydroxy-4alpha,11,11,8beta-tetramethyltricyclo[5.4.0.02,5]undecan-7-one|fascicularone C
1-oxo-2beta-[3-butanone]-3alpha-methyl-6beta-[2-propanol formyl ester]-cyclohexane|1-Oxo-2??-[3-butanone]-3??-methyl-6??-[2-propanol formyl ester]-cyclohexane|2-<1-(formyloxy)prop-2-yl>-5-methyl-6-(3-oxobutyl)cyclohexanone
(1S,2Z,4S)-1-butyl-4-hydroxy-4-[(2S)-5-oxo-2,5-dihydrofuran-2-yl]but-2-en-1-yl acetate|5S-[(4S-acetyloxy)-(1S-hydroxy)-2Z-octenyl]-2(5H)-furanone|pectinolide H
pyxidatol B|rel-(1R,2S,2aR,4aR,6S,7aR,7bS)-2,2a,4a,5,6,7,7a,7b-octahydro-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobut[e]indene-1,2-diol
(6S,1S)-6-(1-hydroxy-5-hydroperoxy-1,5-dimethyl-3-hexenyl)-3-methyl-2-cyclohexenone|peroxylippidulcine A
(1S,4R,5S,7R,10R)-1,5-epidioxy-4-hydroperoxycarot-2-ene|(5alpha,8alpha,9alpha)-form-5,9-Epidioxy-8-hydroperoxy-6-daucene|1,5-epidioxy-4-hydroperoxycarot-2-ene
2,2-Dimethyl-4-(hydroxymethyl)-5-(2-chloroethyl)-6-(hydroxymethyl)indan
(1beta,7beta,8beta,10beta)-1,8,11-trihydroxy-4-guaien-3-one|(1beta,7beta,8beta,10beta)-1,8,11-trihydroxyguai-4-en-3-one|1beta-hydroxytorilolone|2-(5S,6R,8S,8aS)-4,5,6,7,8,8a-hexahydroazulen-6,8a-dihydroxy-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2(1H)-one
3-hydroxy-5-methoxy-2,4-dimethyl-4-(2-methylbutyryloxy)-2,5-cyclohexadien-1-one
1b-Ethyl-1a,1b,3,4,8c,9,10,10a-octahydro-2H-oxireno(4,5-b(pyrido(3,2-c(carbazole
4alpha,5alpha-epoxy-6alpha-hydroxy amorphan-12-oic acid|4alpha,5alpha-epoxy-6alpha-hydroxyamorphan-12-oic acid|4??,5??-Epoxy-6??-hydroxy amorphan-12-oic acid
(9E)-4-oxo-7-hydroxy-11-hydroperoxy-bisabola-2,9-diene
3-Methyl-4-hydroxy-6-(1,5-dimethyl-4-hydroperoxy-5-hexenyl)-2-cyclohexene-1-one
(5S,5aR,7S,8aS)-hexahydro-7-(hydroxymethyl)-1,7-dimethyl-1H-spiro[cyclopropane-1,9-[2]oxa[1,4]methanocyclopenta[c]oxepine]-4,5(3H)-diol|dichomilludol
(2S,4S,4aR,6R,7aS,7bR)-2,4,4a,5,6,7,7a,7b-octahydro-3,6-bis(hydroxymethyl)-6,7b-dimethyl-1H-cyclobuta[e]indene-2,4-diol|5-hydroxydichomitol|protoillud-6-ene-5alpha,8beta,13,15-tetrol
4-acetyl-2-[(1E)-5-hydroxyhex-1-en-1-yl]-5-methoxy-2-methylfuran-3(2H)-one|huaspenone B
5alpha,8alpha-epoxy-4alpha,6beta-dihydroxyamorphan-2-one
1beta,4beta,5beta-trihydroxy-7(11),9-germacradien-8-one|heyneanone A
1S-(2R-hydroxymethylacetoxy)-4R, 8S-dimethylspiro[4.5]dec-7-one
4,5-dihydro-5-(hydroxymethyl)-5-[(1E)-3-(1-methylethyl)-6-oxohept-1-en-1-yl]furan-2(3H)-one
holostylactone|rel-(5S,8R)-5,9,9-trimethyl-8-(3-oxobutyl)oxonane-2,6-dione
1-hydroxy-1-(1-oxo-3-methylbutyl)-2-acetoxy-3,5,5-trimethyl-3-cyclopentene
5-(5-carboxymethyl-2-oxocyclopentyl)-3-pentenyl acetate
1alpha-chloro-2beta-hydroxyeremophil-7(11),9-dien-8-one
(3Z,9Z)-7-chloro-6-hydroxy-12-oxo-pentadeca-3,9-dien-1-yne
3-hydroxy-5-methoxy-2,6-dimethyl-6-(2-methylbutyryloxy)-2,4-cyclohexadien-1-one
5alpha,6alpha-dihydroxy-4alphaH,11alphaH-eudesma-12,8beta-olide
(3R,5R,6S,7S,10R)-2,6,10-Trimethyl-3,5-dioxy-7,10-epoxydodeca-1,11-dien-5-ol
(4beta,6alpha,8alpha,11betaH)-4,6-Dihydroxy-12,8-eudesmanolide
(2R,4S,5E,7S)-2-Hydroxy-7-isopropyl-4-methyl-10-oxo-5-undecen-4-olide
3-hydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
3-[1-[(5-Ethenyl-5-methyltetrahydrofuran)-2-yl]ethyl]-6,6-dimethyl-3,6-dihydro-1,2-dioxin-3-ol
5beta-hydroxy-4,9-oxidogermacr-11alpha-H,13-6,12-olide
Acetic acid 3-(3,4,5-trimethoxyphenyl)propyl ester
(1R,2S,6R,7S,10S)-1,2,6-trihydroxyeudesma-4-en-3-one
1alpha-aldehyde-2beta-[3-butanone]-3alpha-methyl-6beta-[2-propanoic acid]-cyclohexane|1??-Aldehyde-2??-[3-butanone]-3??-methyl-6??-[2-propanoic acid]-cyclohexane
1beta,10alpha-dihydroxy-11betaH-eremophylan-12,8beta-olide
ent-Corey PG-Lactone Diol
Heudelotine
Heudelotine is a natural product found in Jatropha curcas and Ricinodendron heudelotii with data available.
Diethylstilbestrol
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CC - Estrogens, combinations with other drugs G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03C - Estrogens > G03CB - Synthetic estrogens, plain L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02A - Hormones and related agents > L02AA - Estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D002273 - Carcinogens CONFIDENCE standard compound; INTERNAL_ID 4237 CONFIDENCE standard compound; INTERNAL_ID 4161
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid
4,7-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
3-(6-hydroxy-7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one
NPE_269.1647_12.5
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1105
C15H24O4_2-(4,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl)acrylic acid
C15H24O4_2-[(4aS,7R,8R)-7,8-Dihydroxy-4a,8-dimethyldecahydro-2-naphthalenyl]acrylic acid
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid
4,6-dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
1,3-diethyldiphenylurea
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1062
3,6-diphenylcyclohexane-1,2-diol [IIN-based on: CCMSLIB00000845865]
3,6-diphenylcyclohexane-1,2-diol [IIN-based: Match]
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid [IIN-based: Match]
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid [IIN-based on: CCMSLIB00000846465]
2-(Cyclohexylmethylsulfamoyl)aniline
CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9150; ORIGINAL_PRECURSOR_SCAN_NO 9149 CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9156; ORIGINAL_PRECURSOR_SCAN_NO 9152 CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9179; ORIGINAL_PRECURSOR_SCAN_NO 9178 CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9206; ORIGINAL_PRECURSOR_SCAN_NO 9204 CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9228; ORIGINAL_PRECURSOR_SCAN_NO 9225 CONFIDENCE standard compound; INTERNAL_ID 1229; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9193; ORIGINAL_PRECURSOR_SCAN_NO 9192
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid_major
3-[4-methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid_minor
Corey PG-lactone diol
His-ile
C12H20N4O3 (268.15353300000004)
His-leu
C12H20N4O3 (268.15353300000004)
A dipeptide formed from L-histidine and L-leucine residues.
Ile-his
C12H20N4O3 (268.15353300000004)
A dipeptide composed of L-isoleucine and L-histidine joined by a peptide linkage.
Leu-his
C12H20N4O3 (268.15353300000004)
A dipeptide formed from L-leucine and L-histidine residues.
N-(p-Hydroxyphenethyl)actinidine
4,11,13,15-Tetrahydroridentin B
3,11,12-Trihydroxy-1(10)-spirovetiven-2-one
Bisacurone epoxide
Ustusol A
1-Propene,3,3,3,3-[1,3-propanediylidenetetrakis(oxy)]tetrakis- (9CI)
tert-Butyl 2-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
C14H24N2O3 (268.17868339999995)
Phosphonic acid,P-(3,3-diethoxypropyl)-, diethyl ester
TRANS-2,3-DIFLUORO-1-METHOXY-4-(4-PROPYL-CYCLOHEXYL)-BENZENE
1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene
3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
Phenol,4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)-
tert-Butyl 4-(2,2,2-trifluoroethyl)piperazine-1-carboxylate
C11H19F3N2O2 (268.13985499999995)
tert-Butyl (1-(cyclopropanecarbonyl)piperidin-4-yl)carbamate
C14H24N2O3 (268.17868339999995)
4-(TERT-BUTYL)-2-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
tert-butyl 3-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate
1,3-bis(3-cyanopropyl)tetramethyldisiloxane
C12H24N2OSi2 (268.14270939999994)
Deanol acetamidobenzoate
C13H20N2O4 (268.14230000000003)
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
(1Z,3Z)-1,4-DIIODO-2,3-DIMETHYL-BUTA-1,3-DIENE
C11H19F3N2O2 (268.13985499999995)
(1S,2S)-(-)-N-(4-TOLUENESULPHONYL)-1,2-DIAMINOCYCLOHEXANE
2-Methyl-2-propanyl (2S)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidine carboxylate
C14H24N2O3 (268.17868339999995)
N-ETHYL-N-METHYL-3-(PYRROLIDIN-3-YL)BENZAMIDE HYDROCHLORIDE
ethyl 2-amino-4-(2-cyclopentylethyl)-1,3-thiazole-5-carboxylate
5-(Hexamethyleneimin-1-yl)-2-methylsulfonylaniline
3-(3-Methylpiperidin-1-yl)-4-methylsulfonylaniline
tert-butyl N-[(5,6-dimethoxypyridin-2-yl)methyl]carbamate
C13H20N2O4 (268.14230000000003)
2-METHYLIDENE-1,4-DIMORPHOLINOBUTANE-1,4-DIONE
C13H20N2O4 (268.14230000000003)
1,4-Dioxaspiro[4.5]decane-8-boronic acid pinacol ester
C14H25BO4 (268.18458000000004)
4-(1,1-Difluoroethyl)phenylboronic Acid Pinacol Ester
tert-butyl 1,3-dioxo-2,7-diazaspiro[4.5]decane-7-carboxylate
C13H20N2O4 (268.14230000000003)
TERT-BUTOXYCARBONYLAMINO-(4-TERT-BUTOXYCARBONYLAMINO-PHENYL)-ACETICACID
Benzenamine,4,4-(1,2-diazenediyl)bis[N,N-dimethyl-
1-[4-(3-METHYL-4-ISOPROPYL-PHENOXY)-PHENYL]-ETHANONE
6,10,16,19-tetraoxatrispiro[4.2.2.411.28.25]nonadecane
2-amino-6-isopropyl-4,5,6,7-tetrahydro-thieno-[2,3-c]pyridine-3-carboxylic acid ethyl ester
(1-(3-phenylpyrazin-2-yl)piperidin-4-yl)methanamine
4-(4-Thiazolyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
2-Methyl-2-propanyl 2-methyl-1-oxo-2,7-diazaspiro[4.5]decane-7-ca rboxylate
C14H24N2O3 (268.17868339999995)
diethyl 1-amino-3-isopropyl-1H-pyrrole-2,4-dicarboxylate
C13H20N2O4 (268.14230000000003)
3,4,4-trimethyl-1-(4-methylphenyl)sulfonylimidazolidine
(4-Pentyl-4-biphenylyl)boronic acid
C17H21BO2 (268.16345160000003)
2-Methylnaphthalene-1-boronic Acid Pinacol Ester
C17H21BO2 (268.16345160000003)
2,5,11,14-tetraoxa-8-azoniabicyclo[13.4.0]nonadeca-1(19),15,17-triene
tert-butyl 4-(cyclopropylcarbamoyl)piperidine-1-carboxylate
C14H24N2O3 (268.17868339999995)
tert-Butyl 3-(thien-2-yl)piperazine-1-carboxylate, 1-(tert-Butoxycarbonyl)-3-(thien-2-yl)piperazine
2-(4-ETHOXY-PHENYL)-6-METHYL-2H-BENZOTRIAZOL-5-YLAMINE
1-Hexyl-2,3-Dimethylimidazolium Tetrafluoroborate
C11H21BF4N2 (268.17338240000004)
1,3-di-tert-Butylimidazolium tetrafluoroborate
C11H21BF4N2 (268.17338240000004)
Ciclopirox Olamine
C14H24N2O3 (268.17868339999995)
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
ethyl prop-2-enoate,N-(hydroxymethyl)-2-methylprop-2-enamide,prop-2-enenitrile
C13H20N2O4 (268.14230000000003)
7-(4-METHOXYPHENYL)-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
5-(4-aminophenyl)-N-cyclopentyl-2-methylpyrimidin-4-amine
4-[(4-ethoxyphenyl)iminomethyl]-N,N-dimethylaniline
1-(2-BENZO[1,3]DIOXOL-5-YL-IMIDAZO[1,2-A]PYRIDIN-3-YLMETHYL)-PIPERIDINE-4-CARBOXYLICACID
N-Ethyl-N-methyl-3-(3-pyrrolidinyl)benzamide hydrochloride (1:1)
cis-3-(Boc-aMino)-5-(trifluorMethyl)piperidine
C11H19F3N2O2 (268.13985499999995)
tert-butyl N-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamate
C11H19F3N2O2 (268.13985499999995)
4,4,5,5-Tetramethyl-2-(naphthalen-1-ylmethyl)-1,3,2-dioxaborolane
C17H21BO2 (268.16345160000003)
4,4,5,5-Tetramethyl-2-(naphthalen-2-ylmethyl)-1,3,2-dioxaborolane
C17H21BO2 (268.16345160000003)
4,4,5,5-TETRAMETHYL-2-(3-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)PROP-1-EN-1-YL)-1,3,2-DIOXABOROLANE
C14H25BO4 (268.18458000000004)
(1R,2R)-(+)-N-(4-TOLUENESULPHONYL)-1,2-DIAMINOCYCLOHEXANE
8-Boc-2,8-DIAZA-SPIRO[5.5]UNDECAN-1-ONE
C14H24N2O3 (268.17868339999995)
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester
C14H24N2O3 (268.17868339999995)
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-4-carbonitrile
4-[(2S)-2-Methylbutyl]-[1,1-biphenyl]-4-carboxylic acid
4-METHYL-N-(2-(PYRROLIDIN-1-YL)ETHYL)BENZENESULFONAMIDE
1-METHYL-3,4-DIHYDROSPIRO[CHROMENE-2,4-PIPERIDIN]-4-AMINE HYDROCHLORIDE
4-Acetylamino-2-(bis(2-hydroxyethyl)amino)anisole
C13H20N2O4 (268.14230000000003)
poly(1-vinylpyrrolidone-co-2-dimethylaminoethyl methacrylate)
C14H24N2O3 (268.17868339999995)
1-tert-Butyl 4-methyl 4-cyanopiperidine-1,4-dicarboxylate
C13H20N2O4 (268.14230000000003)
2-Boc-2,9-DIAZASPIRO[5.5]UNDECAN-1-ONE
C14H24N2O3 (268.17868339999995)
7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-[(4-methyl-1-piperazinyl)carbonyl]-, (1R,4S)-rel-
C13H20N2O4 (268.14230000000003)
D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Ornithine phenylacetate
C13H20N2O4 (268.14230000000003)
C78275 - Agent Affecting Blood or Body Fluid
5-methyl-N-(4,5,6-trimethylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
4-[(3-Methylphenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane
C16H17BO3 (268.12706820000005)
Benzeneboronic acid, cyclic ((p-tolyloxy)methyl)ethylene ester
C16H17BO3 (268.12706820000005)
2-Amino-7-[2-(2-hydroxy-1-hydroxymethyl-ethylamino)-ethyl]-1,7-dihydro-purin-6-one
N-Methyl-N-[3-phenyl-3-(2-pyridinyl)propyl]acetamide
2-(7,8-Dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid
4,7-Dihydroxy-4-(hydroxymethyl)-3,4a,8,8-tetramethyl-5,6,7,8a-tetrahydronaphthalen-1-one
2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid
C12H20N4O3 (268.15353300000004)
(2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoate
C12H20N4O3 (268.15353300000004)
2-[(2R,3R,4aR)-3,8-dihydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
(2R)-2-[(1S,4R,4aS)-7-hydroperoxy-4,7-dimethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl]propanoic acid
(3aR,4R,5R,6aS)-5-Hydroxy-4-((S,E)-3-hydroxyoct-1-en-1-yl)hexahydro-2H-cyclopenta[b]furan-2-one
[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl] (2S,3S)-2-amino-3-methylpentanoate
C12H20N4O3 (268.15353300000004)
Dihydroxy Melphatalan-d8
C13H20N2O4 (268.14230000000003)
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
N-butylharmine
A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a butyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
N-(1,8-dimethyl-3-pyrazolo[3,4-b]quinolinyl)propanamide
2-tert-butyl-N-(phenylmethyl)-4-pyridinecarboxamide
4,6-dimethyl-N-[(E)-1-phenylethylideneamino]pyrimidine-2-carboxamide
N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
6-Cyclohexyl-4-methyl-1-oxidopyridin-2-one;2-hydroxyethylazanium
C14H24N2O3 (268.17868339999995)
(2R,3R,4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
3-(6-hydroxy-7-methyloctyl)-3,6-dihydro-1H-furo[3,4-c]furan-4-one
(9R,13S,14R)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
3-(Ethoxycarbonyl)-6-isopropyloctahydro-2H-cyclohepta[b]furan-2-one
(R)-2-Methylbutyric acid (S)-1,5-dimethyl-2-oxo-4-methoxy-6-hydroxy-3,5-cyclohexadienyl ester
His-Leu zwitterion
C12H20N4O3 (268.15353300000004)
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Leu. Major species at pH 7.3.
2-(2-carboxyethyl)-4-methyl-5-pentylfuran-3-carboxylic acid
3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)
Belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid
3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid
Belongs to the class of organic compounds known as furanoid fatty acids. These are fatty acids containing a 5-alkylfuran-2-alkanoic acid.