Exact Mass: 200.08242299999998

4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1]. 4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1].

4-Aminophenyl ether

4,4-Diaminodiphenyl ether

(3-Phenoxyphenyl)methanol

1-Hydroxymethyl-3-phenoxybenzene

Harmalol

1-Methyl-4,9-dihydro-3H-beta-carbolin-7-ol hydrochloride

Harmalol is found in fruits. Harmalol is an alkaloid from Passiflora incarnata (maypops). Harmaline is a reversible inhibitor of MAO-A (RIMA). Harmine is a reversible inhibitor of MAO-A (RIMA). It is important to note that unlike synthetic pharmaceutical MAOIs such as phenelzine, harmine is reversible and selective meaning it does not have nearly as high a risk for the "cheese syndrome" caused by consuming tyramine-containing foods, which is a risk associated with monoamine oxidase A inhibitors, but not monoamine oxidase B inhibitors. Several alkaloids that function as monoamine oxidase inhibitors (MAOIs) are found in the seeds of Peganum harmala (also known as Harmal or Syrian Rue), including harmine, harmaline, and harmalol, which are members of a group of substances with a similar chemical structure collectively known as harmala alkaloids. These alkaloids are of interest for their use in Amazonian shamanism, where they are derived from other plants. The harmala alkaloid harmine which was once known as Telepathine and Banisterine is a naturally occurring beta-carboline alkaloid that is structurally related to harmaline, and also found in the vine Banisteriopsis caapi. Tetrahydroharmine is also found in B. caapi, but not P. harmala. Dr. Alexander Shulgin has suggesed that harmaline may be a breakdown product of harmine. Harmine and harmaline are reversible MAOIs of the MAO-A isoform of the enzyme, and can stimulate the central nervous system by inhibiting the metabolism of monoamine compounds such as serotonin and norepinephrine. The harmala alkaloids occur in Peganum harmala in concentrations of roughly 3\\%, though tests have documented anywhere from 2-7\\%, as natural sources tend to vary widely in chemical makeup. Harmala alkaloids are also found in the Banisteriopsis caapi vine, the key plant ingredient in the sacramental beverage Ayahuasca, in concentrations that range between 0.31-8.43\\% for harmine, 0.03-0.83\\% for harmaline and 0.05-2.94\\% for tetrahydroharmine. Other psychoactive plants are often added to Ayahuasca to achieve visionary states of consciousness; for example leaves from Psychotria viridis, which is a source of dimethyltryptamine (DMT). The harmala alkaloids serve to potentiate these brewed compounds by preventing their breakdown in the digestive tract. The harmala alkaloids are not especially psychoactive on their own, even at high dosages, when vomiting and diarrhea become the main effect Alkaloid from Passiflora incarnata (maypops)

Dihydroclavaminate

Dihydroclavaminic acid; Dihydroclavaminate

3,4-Dihydro-9H-fluorene-3,4-diol

(+)-(3S,4R)-cis-3,4-Dihydroxy-3,4-dihydrofluorene

Safynol

(2R,3E,11E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol

Isolated from diseased Carthamus tinctorius (safflower). Safynol is found in safflower, fats and oils, and herbs and spices. Safynol is found in fats and oils. Safynol is isolated from diseased Carthamus tinctorius (safflower).

Dehydrotremetone

1-[2-(prop-1-en-2-yl)-1-benzofuran-5-yl]ethan-1-one

Monobenzone

MONOBENZYL ether OF hydroquinone

Monobenzone is the monobenzyl ether of hydroquinone used medically for depigmentation. Monobenzone occurs as a white, almost tasteless crystalline powder, soluble in alcohol and practically insoluble in water. The topical application of monobenzone in animals increases the excretion of melanin from the melanocytes. The same action is thought to be responsible for the depigmenting effect of the drug in humans. Monobenzone may cause destruction of melanocytes and permanent depigmentation. D - Dermatologicals Same as: D05072

2,2'-Methylenediphenol

2-[(2-hydroxyphenyl)methyl]phenol

CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4378 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4432; ORIGINAL_PRECURSOR_SCAN_NO 4427 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4033; ORIGINAL_PRECURSOR_SCAN_NO 4030 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 860; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4412; ORIGINAL_PRECURSOR_SCAN_NO 4408

3,6,8-Trimethylallantoin

C7H12N4O3 (200.0909362)

Alanylclavam

3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine

D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D002969 - Clavulanic Acids D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams

Nellite

phenyl N,N-dimethylphosphorodiamidate

C8H13N2O2P (200.0714608)

3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]pyruvic acid

3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-2-oxopropanoate; Epoxy-4S-H4HPP

A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is replaced by a 5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl group (the 1R,2S,5R,6S stereoisomer).

3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin

4-(4-methylpent-3-en-1-yl)-3,6-dihydro-1,2-dithiine

3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin is found in alcoholic beverages. 3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin is a constituent of hops

(Z)-3-(1-Butenyl)-1H-2-benzopyran-1-one

3-[(1Z)-but-1-en-1-yl]-1H-isochromen-1-one

(E)-3-(1-Butenyl)-1H-2-benzopyran-1-one is found in herbs and spices. (E)-3-(1-Butenyl)-1H-2-benzopyran-1-one is a constituent of Artemisia dracunculus (tarragon)

(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid

3-[(2Z)-1-oxobut-2-en-2-yl]pentanedioic acid

(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid is found in fats and oils. (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid is a constituent of olives (Olea europaea). Constituent of olives (Olea europaea). (Z)-3-(1-Formyl-1-propenyl)pentanedioic acid is found in fats and oils, herbs and spices, and fruits.

2-[Hydroxy(phenyl)methyl]phenol

1-(4-Methoxy-1-naphthyl)ethanone

1-(4-methoxynaphthalen-1-yl)ethan-1-one

1,3-Diethyl-6-hydroxy-2-sulfanylidenepyrimidin-4-one

1,3-diethyl-6-hydroxy-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one

1-(2-Hydroxyethoxy)methyl-5-methyluracil

1-[(2-hydroxyethoxy)methyl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Benzo[alpha]pyrene

pentacyclo[6.6.2.0^{2,7}.0^{4,16}.0^{11,15}]hexadeca-1(14),2(7),3,5,8(16),9,11(15),12-octaene

C16H8 (200.0625968)

(3S,8As)-7-hydroxy-3-(hydroxymethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Thiobarbital

5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

4-Deoxy-2,3-dihydromycosinol

2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene

4-deoxy-2,3-dihydromycosinol is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. 4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 4-deoxy-2,3-dihydromycosinol can be found in roman camomile, which makes 4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product.

(7E)-4-Deoxy-2,3-dihydromycosinol

(2E)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]non-3-ene

(7e)-4-deoxy-2,3-dihydromycosinol, also known as tonghaosu, is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals (7e)-4-deoxy-2,3-dihydromycosinol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (7e)-4-deoxy-2,3-dihydromycosinol can be found in german camomile, which makes (7e)-4-deoxy-2,3-dihydromycosinol a potential biomarker for the consumption of this food product.

7-Hydroxy viteoid II

(-)-7-Hydroxy viteoid II

3-Methoxy-5-phenylphenol

3-hydroxy-5-methoxybiphenyl

N,N-Dimethyl-N-phenylsulfamide

A member of the class of sulfamides that is N-phenylsulfuric diamide substituted by two methyl groups at the amino nitrogen atom. It is a metabolite of the agrochemical dichlofluanid. CONFIDENCE standard compound; EAWAG_UCHEM_ID 296 CONFIDENCE standard compound; INTERNAL_ID 2042

N-hydroxy-2-naphthalen-1-ylethanimidamide

4-Amino-N,N-dimethylbenzenesulfonamide

Benzenesulfonamide,4-amino-N,N-dimethyl-

CONFIDENCE standard compound; INTERNAL_ID 2462 CONFIDENCE standard compound; INTERNAL_ID 8784 CONFIDENCE standard compound; INTERNAL_ID 8212 CONFIDENCE standard compound; INTERNAL_ID 4170 INTERNAL_ID 4170; CONFIDENCE standard compound

Harmolol

A harmala alkaloid in which the harman skeleton is hydroxy-substituted at C-7 and has been reduced across the 3,4 bond. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.398 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.395 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.387 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.386

Strychnocarpine

Vertipyronediol

8,9-Dihydro-6H-pyrido[2,1-b]quinazolin-11(7H)-one

3-Hydroxymethyl-s-triazolo[3,4-a]phthalazine

1,2-dihydroxytrideca-5,7,9,11-tetrayne

(E) en-yn-dicycloether|(E)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene|(E)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene|(E)-tonghaosu|2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene|2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]non-3-ene|cis-2-(2,4-Hexadiinyliden)-1,6-dioxaspiro[5,5]nonen-(3)|cis-2-(6-(3H)-2,4-Hexadiinyliden)1,6-dioxaspiro[5,5]nonen-(3)|cis-2-<6-(3H)-2,4-Hexadiinyliden>1,6-dioxaspiro<5,5>nonen-(3)

(E) en-yn-dicycloether|(E)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene|(E)-2-(2,4-hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene|(E)-tonghaosu|2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4,4]non-3-ene|2-(Hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]non-3-ene|cis-2-(2,4-Hexadiinyliden)-1,6-dioxaspiro[5,5]nonen-(3)|cis-2-(6-(3H)-2,4-Hexadiinyliden)1,6-dioxaspiro[5,5]nonen-(3)|cis-2-<6-(3H)-2,4-Hexadiinyliden>1,6-dioxaspiro<5,5>nonen-(3)

antirrhinolide

C8H12N2O4

3,5-Tridecadiene-7,9,11-triyne-1,2-diol

1-Aldehyde,Me ester-4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid|4-methoxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde|4-methoxy-3-(3-methylbut-3-en-1-yl)benzaldehyde|4-methoxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde|eutypine|eutypine methyl ether|methyleutypine

trideca-1,5t-diene-7,9,11-triyne-3,4-diol|Tridecadiin-(7.9.11)-dien-(1.5t)-diol-(3.4)

D,L-vascinine

methyl 4-methylazulene-1-carboxylate

2,3-Dihydro-2-methylnaphtho[1,8-bc]pyran-5-ol

DTXSID50815606

1beta-Scabrogenin|beta-scabrogenin

2-Chloro-1-hydroxy-3(8),5-ochtodien-4-one

7-phenyl-hepta-4,6-diyn-1,2-diol

6-(Hydroxymethyl)-8-hydroxy-3,4,5,6-tetrahydro-1H,8H-pyrano[3,4-c]pyran-1-one

chrysindin A

1,4-Naphthalenedione, 2,3,6-trimethyl-

4-Hydroxywithasomnine

2,4-Dihydroxydiphenylmethane

CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4412; ORIGINAL_PRECURSOR_SCAN_NO 4408 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4378 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4432; ORIGINAL_PRECURSOR_SCAN_NO 4427 CONFIDENCE standard compound; INTERNAL_ID 976; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4444; ORIGINAL_PRECURSOR_SCAN_NO 4439

C9H12O5

3-hydroxy-5-methoxybiphenyl

A natural product found in Rhaphiolepis indica var. tashiroi.

Astepyrone

(2R,3R)-7-Phenyl-4,6-heptadiyne-2,3-diol

(2R*,3R*)-7-Phenyl-4,6-heptadiyne-2,3-diol

Macommelin-8,9-diol

Villosol|Villosol+

1-hydroxymethyl-beta-carboline

Antirrhide

benzhydrylphosphane

C13H13P (200.0754828)

34W9GO6B2Z

2H-Pyran-2-one, 5,6-dihydro-6-[(E)-2-phenylethenyl]-, (6R)-

Goniothalamin is a natural product found in Cryptocarya latifolia, Cryptocarya wyliei, and other organisms with data available.

Bisphenol_F

InChI=1/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H

Bisphenol F is a bisphenol that is methane in which two of the hydrogens have been replaced by 4-hydroxyphenyl groups. It has a role as an environmental food contaminant and a xenoestrogen. It is a diarylmethane and a bisphenol. 4,4-Methylenediphenol is a natural product found in Galeola faberi, Xanthium strumarium, and other organisms with data available. 4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1]. 4,4'-Dihydroxydiphenylmethane is a phenolic derivative with antioxidant activities[1].

3-Phenoxybenzylalcohol

(3-Phenoxyphenyl)methanol

CONFIDENCE standard compound; EAWAG_UCHEM_ID 325

harmalol

C7H12N4OS (200.07317819999997)

Annotation level-1

4-Amino-6-(tert-butyl)-3-mercapto-1,2,4-triazin-5(4H)-one

4-Amino-6-tert-butyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one

CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3767; ORIGINAL_PRECURSOR_SCAN_NO 3764 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3840; ORIGINAL_PRECURSOR_SCAN_NO 3835 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3753; ORIGINAL_PRECURSOR_SCAN_NO 3749 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3830; ORIGINAL_PRECURSOR_SCAN_NO 3828 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3791; ORIGINAL_PRECURSOR_SCAN_NO 3787 CONFIDENCE standard compound; INTERNAL_ID 786; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3792; ORIGINAL_PRECURSOR_SCAN_NO 3789

Methyl 1-Naphthaleneacetate

CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4391; ORIGINAL_PRECURSOR_SCAN_NO 4390 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4412; ORIGINAL_PRECURSOR_SCAN_NO 4408 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4380; ORIGINAL_PRECURSOR_SCAN_NO 4378 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4411; ORIGINAL_PRECURSOR_SCAN_NO 4406 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4432; ORIGINAL_PRECURSOR_SCAN_NO 4427 CONFIDENCE standard compound; INTERNAL_ID 834; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4444; ORIGINAL_PRECURSOR_SCAN_NO 4439

2-(2,4-Hexadiynylidene)-1,6-dioxaspiro(4.4)non-3-ene

Barbituric acid, 5-ethyl-5-(2-hydroxyethyl)-

Diphenylmethylphosphine

Methyl(diphenyl)phosphine

C13H13P (200.0754828)

Laurencione diacetate

4-(4-Methyl-3-pentenyl)-1,2-dithia-4-cyclohexene

4-(4-methylpent-3-en-1-yl)-3,6-dihydro-1,2-dithiine

(Z)-3-(1-Butenyl)-1H-2-benzopyran-1-one

3-[(1Z)-but-1-en-1-yl]-1H-isochromen-1-one

(Z)-3-(1-Formyl-1-propenyl)pentanedioic acid

Safynol

(2S,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol

4-(4-Methylphenoxy)phenol

1H-Benzimidazole,1-ethenyl-2-[(ethenyloxy)methyl]-(9CI)

2-Acetyl-6-methoxynaphthalene

2-piperazinopyrimidine hydrochloride

Cyclo(-Ala-Glu)

1,4-DIHYDROXYOCTAHYDROQUINOXALINE-2,3-DIONE

3-amino-4,5-dimethylbenzenesulfonamide

4-Fluorobenzophenone

3-(1-Naphthyl)propanoic acid

4-Thiazolidinone,3,5-diethyl-2-(ethylimino)-(9CI)

1H-Pyrazole-4-carboxylicacid,3-(methoxymethoxy)-,ethylester(9CI)

3-AMINO-N-CYCLOHEXYL-3-THIOXOPROPANAMIDE

1,3-bis(2-hydroxyethyl)uracil

ACETAMIDE, N-(4-AMINO-1-NAPHTHYL)-

ethyl 2-naphthoate

6-Acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

dimethyl-d6 phthalate

C10H4D6O4 (200.095569068)

Pyrimidine, 4,6-difluoro-2-(1-piperazinyl)- (9CI)

C8H10F2N4 (200.0873484)

Methyl 2-((dimethylamino)Methyl)thiazole-4-carboxylate

Pyrimido[1,2-a]benzimidazol-4(10H)-one, 2-amino- (9CI)

Ethanimidamide,2-(phenylmethoxy)-, hydrochloride (1:1)

4-(1-aminoethyl)benzenesulfonamide

2,4-DIFLUOROPHENYLBUTYRIC ACID

2-(3-Piperidinyl)ethanamine dihydrochloride

Dimethyl benzylphosphonate

C9H13O3P (200.06022779999998)

4-OXO-4-(3-OXO-PIPERAZIN-1-YL)BUTYRIC ACID

(3-phenoxyphenyl)hydrazine

(2-morpholin-4-yl-1,3-thiazol-5-yl)methanol

2-(Benzyloxy)-3-pyridinamine

2-Isopropylpiperazine

N-[3-(aminomethyl)phenyl]methanesulfonamide

2-PHENYL-4,5,6,7-TETRAHYDROOXAZOLO[5,4-C]PYRIDINE

1-Naphthalenecarboxylicacid, ethyl ester

1-(3,5-difluoro-4-methoxyphenyl)propan-1-one

ethyl 2-oxo-2-(4-oxotetrahydro-2H-pyran-3-yl)acetate

4-Phenoxybenzene-1,2-diamine

3-AMINO-5-TERT-BUTYL-2-NITRO-THIOPHENE

1-(4-AMINO-2-FLUOROPHENYL)ETHANONE

1-(4-AMINO-2-METHYLQUINOLIN-3-YL)ETHANONE

N1-METHYL-4-(METHYLSULFONYL)BENZENE-1,2-DIAMINE

1-ISOPROPYL-PYRROLIDIN-3-YLAMINE DIHYDROCHLORIDE

4-(3-fluorophenyl)benzaldehyde

3-Fluoro-4-(methoxymethoxy)phenylboronic acid

C8H10BFO4 (200.0656142)

[5-Fluoro-2-(methoxymethoxy)phenyl]boronic acid

C8H10BFO4 (200.0656142)

(4-Phenoxyphenyl)Methanol

POLY(ETHYL METHACRYLATE-CO-METHYL

1H-Benzimidazole,1-(5,6-dihydro-2H-pyran-2-yl)-,(S)-(9CI)

L-Phenylalanin amide hydrochloride

2-(3-METHOXY-PHENYL)-ACETAMIDINE

4-Butoxyphthalonitrile

TERT-BUTYL THIAZOL-5-YLCARBAMATE

2-Thiazolamine,4-(4-morpholinylmethyl)-

C8H14N3OS (200.0857534)

2-amino-N-benzylacetamide hydrochloride

2-(Methylamino)-N-phenylacetamide hydrochloride

Pyr-Ala-OH

1-(4-(4-Methyl-1H-imidazol-1-yl)phenyl)ethanone

4-Ethyl-1-naphthoic acid

Diazene,1-(4-fluorophenyl)-2-phenyl-

C12H9FN2 (200.07497259999997)

Ethanol, 2-(4-chloro-3,5-dimethylphenoxy)- (9CI)

1-Chloro-3-phenylmethoxypropan-2-ol

2-[(Trimethylsilyl)ethynyl]nicotinonitrile

C11H12N2Si (200.0769712)

Methyl 2-amino-5-propylthiazole-4-carboxylate

8-METHYL-2,3,4,5-TETRAHYDROPYRIDO[3,2-F][1,4]OXAZEPINE HYDROCHLORIDE

N-[2-(Aminomethyl)phenyl]methanesulfonamide

Methyl 2-amino-5-isopropylthiazole-4-carboxylate

4-amino-n-ethyl-benzenesulfonamide

Benzenamine, 4-(6-methoxy-3-pyridinyl)- (9CI)

4-(dimethylammonio)piperidinium dichloride

4-HYDROXY-4-METHOXYBIPHENYL

Benzenesulfonamide,3-amino-N,N-dimethyl-

1-(TERT-BUTYL)-3-METHYL-1H-PYRAZOLE-5-CARBONYL CHLORIDE

2-Chloro-1,4-diethoxybenzene

3-(Benzyloxy)phenol

D-Phenylalaninamide hydrochloride

Diethyl isopropylidenemalonate

4-(Benzyloxy)pyridin-2-amine

2-Naphthalenol,2-propanoate

2-[(1-METHYL-3-OXO-3-PHENYL-1-PROPENYL)AMINO]ACETONITRILE

(2-METHYLQUINOLIN-5-YL)BORONICACID

(1R,2R)-DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE

1,2-Cyclohexanedicarboxylicacid, 1,2-dimethyl ester, (1R,2R)-rel-

1-Petyloxy-2,3-difluorobenzene

C11H14F2O (200.1012658)

2-(1-METHYL-1H-IMIDAZOL-2-YL)-1-PHENYLETHANONE

C9H11BF2O2 (200.08201200000002)

1H-Benzimidazol-2-amine,N-4H-1,2,4-triazol-4-yl-(9CI)

C9H8N6 (200.08104079999998)

(2,6-Difluoro-4-propylphenyl)boronic acid

1-naphthyl propionate

1-(3-benzylimidazol-4-yl)ethanone

1,2-Benzenedicarboxylicacid, ammonium salt (1:2)

2-Ethoxy-1-naphthaldehyde

3-fluorobenzophenone

4-(2-aminoethyl)benzene sulfonmide

(+)-Camphoric acid

1,3-Cyclopentanedicarboxylicacid, 1,2,2-trimethyl-, (1R,3S)-rel-

5-Isopropylpyridine-2-sulfonamide

3-AMINOMETHYL-N-METHYLBENZENESULFONAMIDE

phenoxymethoxybenzene

3-Hydroxy-L-(2,5,6-2H3)tyrosine

C9H8D3NO4 (200.087636134)

2H-Pyran-3-carboxylicacid,tetrahydro-6,6-dimethyl-4-oxo-,ethylester(9CI)

Ethyl 2-oxo-2-(2-oxotetrahydro-2H-pyran-3-yl)acetate

4-(pyridin-4-ylmethoxy)aniline

Ethyl (3E)-4-butoxy-2-oxo-3-butenoate

UNII:07FN14F351

n-tau-methyl-d3-histamine 2hcl

C6H10Cl2D3N3 (200.067479334)

2-(4-Piperidinyl)ethanamine dihydrochloride

2-Amino-N,N-dimethylbenzenesulfonamide

2-Benzyloxyphenol

3-(tert-butyl)-1-methyl-1H-pyrazole-5-carbonyl chloride

2-(TERT-BUTYL)-6-(CHLOROMETHYL)PYRIMIDIN-4-OL

CHEMBRDG-BB 4011981

Benzene,1-methoxy-2-phenoxy-

6-chloro-n4,n4-diethylpyrimidine-2,4-diamine

(R)-(-)-GLYCIDYL1-NAPHTHYLETHER

ethyl 2-imino-3,4-dimethyl-1,3-thiazole-5-carboxylate

2-FLUOROBIPHENYL-4-CARBOXALDEHYDE

(R,E)-ETHYL 3-(2,2-DIMETHYL-1,3-DIOXOLAN-4-YL)ACRYLATE

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl methacrylate

1-[2-(5-methyl-2-furyl)phenyl]ethanone

S-(+)-α-Naphthyl Glycidyl Ether

DIHYDRO-1-METHYL-3-PROPYL-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE

ETHYL1-CYANOCYCLOPROPANECARBOXYLATE

Cyclohexyl 1,1,2,2-tetrafluoroethyl ether

C8H12F4O (200.08242299999998)

(5-Ethoxy-1H-indol-3-yl)acetonitrile

2-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine

4-METHOXY-NAPHTHALENE-1-CARBOXAMIDINE

2H-Pyrrolo[2,1-b][1,3]oxazine-6-carboxylicacid,3-aminohexahydro-4-oxo-(9CI)

C8H15F3O2 (200.10240860000002)

n-Butyl 2,2,2-trifluoroethylacetaldehyde acetal

2-BENZOYL-3-(DIMETHYLAMINO)ACRYLONITRILE

2-(5-METHOXY-PYRIDIN-2-YL)-PHENYLAMINE

3,4-Oxydianiline

1-naphthaleneacethydrazide

Ethyl 2-hydroxy-4-(trimethylsilyl)-3-butynoate

C9H16O3Si (200.0868666)

2-(naphth-1-yl)acetamide oxime

3-Oxo-3-(tetrahydro-pyran-4-yl)-propionic acid ethyl ester

2,5-dimethylbenzenesulfonohydrazide

diphenylmethanethiol

5-(Benzyloxy)pyridin-2-amine

2-Methoxy-1-naphthalenecarboximidamide

6-(3,6-dihydro-2h-pyran-4-yl)-1h-indazole

Benzene,1-methoxy-3-phenoxy-

6-(Ethylthio)-1,3-dimethyluracil

(4-Methyl-2,2-bipyridin-4-yl)methanol

2-PHENYL-4,5,6,7-TETRAHYDROOXAZOLO[4,5-C]PYRIDINE

3-[3-(dimethylamino)prop-2-enoyl]benzonitrile

1-(Chloromethyl)-4,5-dimethoxy-2-methylbenzene

3-Pyridinemethanamine,6-phenoxy-(9CI)

2-(4-fluorophenyl)benzaldehyde

5-Heptyl-1,3,4-oxadiazole-2-thiol

2-Amino-3-benzyloxypyridine

5-(3,6-dihydro-2h-pyran-4-yl)-1h-indazole

(2,5-DIOXO-1-PROPYL-IMIDAZOLIDIN-4-YL)-ACETIC ACID

N,N-Dimethyl-3-piperidinamine dihydrochloride

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid

N-Methyl(1-Methylpyrrolidin-3-yl)Methanamine HCl

N-[2-AMINO-1-(3-METHYLTHIEN-2-YL)ETHYL]-N,N-DIMETHYLAMINE HYDROCHLORIDE

tert-Butyl thiazol-4-ylcarbamate

4-Ethyl-3-fluoro-1,1-biphenyl

C14H13F (200.100123)

4-(3,5-Dimethyl-1H-pyrazol-1-yl)benzaldehyde

4-(2,3-Dimethylbenzoyl)imidazole

1-Methyl-5-p-tolyl-1H-pyrazole-4-carbaldehyde

2-imidazol-1-yl-1-(4-methylphenyl)ethanone

2-Methyl-5-(p-methoxyphenyl)pyrimidine

2-ACETYL-5-OXO-HEXANOIC ACID ETHYL ESTER

4-HYDROXY-CYCLOHEXANECARBOXYLIC ACID METHYL ESTER ACETATE

3,3-oxydianiline

Ethyl allylmalonate

2-Ethoxybenzamidine hydrochloride

2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one

Acetamide,2-chloro-N-(1-cyanocyclohexyl)-

BOC-(4S,2RS)-2-PHENYLTHIAZOLIDINE-4-CARBOXYLIC ACID

4-acetyl-5-methyl-1-phenylpyrazole

2-(4,4-Dimethyl-2,5-dioxo-imidazolidin-1-yl)-propionic acid

N-BOC-2-AMINOTHIAZOLE

1,2,3-Thiadiazole-5-carboxylicacid,4-(1-methylethyl)-,ethylester(9CI)

1H-Benzimidazol-1-amine,N-nitroso-N-2-propynyl-(9CI)

3,4-DI-O-ACETYL-D-XYLAL,

5-METHOXY-1-(2-METHOXYETHYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID

N-(1-Cyano-2,3-dihydro-1H-inden-5-yl)acetamide

3-Phenoxy-propionamidine HCl

C7H12N4OS (200.07317819999997)

3-thio-4-amino-6-t-butyl-1，2，4-triazine-5-one

(S)-ETHYL-4,5-ISOPROPYLIDENE-2-PENTANOATE

ethyl 2-(3,5-difluorophenyl)acetate

Dimethyl Cyclopentylmalonate

C6H12N6O2 (200.10216920000002)

1H-1,2,4-Triazole-1-aceticacid,4-amino-3-ethyl-4,5-dihydro-5-oxo-,hydrazide(9CI)

5,6,11,12-Tetradehydrodibenzo[a,e]cyclooctene

C16H8 (200.0625968)

4-ethyl-2-fluoro-1,1-biphenyl

C14H13F (200.100123)

4-Fluoro-4-biphenylcarbaldehyde

2-fluorobiphenyl-4-carbaldehyde

Ethyl 2-(1-hydroxy-4-oxocyclohexyl)acetate

3-(4-fluorophenyl)benzaldehyde

5-methyl-1-(2-methylphenyl)pyrazole-4-carbaldehyde

5-tert-Butyl-2-methyl-3-furoyl chloride

2-Fluorobenzophenone

4-benzylbenzene-1,3-diol

2-[2-(3-methylpyrazol-1-yl)ethylsulfanyl]acetic acid

1,4,9,12-Tetraoxadispiro(4.2.4.2)tetradecane

6-(benzyloxy)pyridin-3-amine

Dimethyl trans-1,4-cyclohexanedicarboxylate

4-(BENZYLOXY)PYRIDIN-3-AMINE

3-[(2-amino-4-chlorophenyl)amino]propan-1-ol

Benzenamine, N-methyl-4-(4-pyridinyloxy)- (9CI)

6-amino-1-methyl-4-phenylpyridin-2-one

[(3R)-1-methylpiperidin-3-yl]methanamine,dihydrochloride

1-Acetoxy-2-met hoxynaphthalene

(Acetylmethylene)triphenylphosphorane

2-fluoro-biphenyl-2-carbaldehyde

Benzenesulfonamide, 3-(1-aminoethyl)- (9CI)

Diisopropyl fumarate

5-(BENZYLOXY)PYRIDIN-3-AMINE

(2-Phenoxyphenyl)methanol

2,5-Dimethyl-1-pyridin-3-yl-1H-pyrrole-3-carbaldehyde

3-(2-Naphthyl)propanoic acid

4-METHYL-5,6,7,8-TETRAHYDRO-2LAMBDA6,1,3-BENZOTHIADIAZINE-2,2(1H)-DIONE

N-[3-(AMINOMETHYL)PHENYL]ACETAMIDEHYDROCHLORIDE

Benzenesulfonamide,4-amino-3,5-dimethyl-(9CI)

N,N-Dimethyl(pyrrolidin-3-yl)Methanamine hydrochloride

2-(2,6-DIFLUORO-PHENYL)-2-METHYL-PROPIONIC ACID

6-chloro-2-N,2-N,4-N,4-N-tetramethylpyrimidine-2,4-diamine

1,3-Dioxolane,2-[(3,4-difluorophenyl)methyl]-(9CI)

ethyl (2-amino-4-methyl-1,3-thiazol-5-yl)acetate

Benzyl(phenyl)sulfane

1,1-Cyclohexanediacetic acid

Oxydianiline

4-Isobutyloxy-1,3-benzenedicarbonitrile

Diethyl trans-hex-3-enedioate

1,2-Cyclopentanedicarboxylic acid, 4-oxo-, 1,2-dimethyl ester, (1R,2R)-

3-fluorobiphenyl-3-carbaldehyde

1-(TERT-BUTYL)-5-METHYL-1H-PYRAZOLE-3-CARBONYL CHLORIDE

Ethyl 5,5-dimethyl-2,4-dioxohexanoate

n-(5-amino-2-methylphenyl)methanesulfonamide

(4-METHYL-2,5-DIOXO-4-PHENYLIMIDAZOLIDIN-1-YL)ACETICACID

C10H9D4ClN2 (200.10182951199997)

[2,3-bipyridin]-6-ylboronic acid

C10H9BN2O2 (200.0757044)

Tryptamine-d4 Hydrochloride

2-Butenedioic acid(2Z)-, 1,4-dipropyl ester

C11H13NaO2 (200.08131980000002)

SODIUM P-T-BUTYLBENZOATE

Pyrido[1,2-a]benzimidazol-1(2H)-one, 3,4-dihydro-3-methyl- (9CI)

4-(2-OXO-PIPERIDIN-1-YL)-BENZONITRILE

2-Naphthaleneacetic acid Methyl Ester

3,3,6,6-tetramethoxycyclohexa-1,4-diene

4-Amino-6-chloro-2-diethylaminopyrimidine

1-ACETAMIDO-3-AMINONAPHTHALENE

trans-2-butene-1,4-dicarboxylic acid diethyl ester

5-(ethoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione

C12H12N2O

Conivaptan hydrochloride Impurity E

2,6,7-Trimethyl-1,4-naphthoquinone

5-(4-Methoxyphenyl)-2-pyridinamine

(4-Fluoro-3,5-dimethoxyphenyl)boronic acid

C8H10BFO4 (200.0656142)

4-Amino-N-methylbenzenemethanesulfonamide

C6H12N6O2 (200.10216920000002)

Azido-PEG3-azide

2,6-difluoro-4-pentylphenol

C11H14F2O (200.1012658)

2-(2-Piperidinyl)ethanamine dihydrochloride

2-fluorobiphenyl-3-carbaldehyde

6-(4-Methoxyphenyl)pyridin-3-amine

2-(3-Methoxyallylidene)malonic acid dimethyl ester, 95\\%

4(3H)-Pyrimidinone,6-methyl-2-(phenylmethyl)-

3,4-Di-O-acetyl-L-arabinal

2-(1,2,3-Oxadiazol-4-ylmethyl)-1H-benzimidazole

4-(4-azanylphenoxy)aniline

2-Trimethylsilanylethynyl-3-cyanopyridine

C11H12N2Si (200.0769712)

N,N-(1,2-DIHYDROXYETHYLENE)BISACRYLAMIDE

[2-(5-methyl-pyrazol-1-yl)-ethylsulfanyl]-acetic acid

trans-1,2-di-(2-Thienyl)ethylene

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carbaldehyde

ETHYL 4-(TRIMETHYLSILYLOXY)-2-BUTYNOATE

C9H16O3Si (200.0868666)

BUTTPARK 5204-72

2-(2-methylimidazol-1-yl)-1-phenyl-ethanone

3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propanenitrile

2-Methyl diphenyl sulfide

4-Methylphenyl phenyl sulfide

1H-Benzimidazole-2-acetamide,alpha-cyano-(9CI)

2-Methyl-5-(1H-tetrazol-5-yl)-1H-benzimidazole

C9H8N6 (200.08104079999998)

Benzene,1-methoxy-4-phenoxy-

1H-Benzimidazole-2-carboxaldehyde,1-(2-methyl-2-propenyl)-(9CI)

(4-formyl-1-naphthalene)boronic acid

C11H9BO3 (200.0644714)

5-(4-METHOXY-PHENYL)-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE

2,5-DIMETHYL-1-PYRIDIN-2-YL-1H-PYRROLE-3-CARBALDEHYDE

1,3-DIFLUORO-4-(1,3-DIOXOLAN-2-YLMETHYL)BENZENE

3-(chloromethyl)-5-cyclohexyl-1,2,4-oxadiazole

(4-PHENOXYPHENYL)HYDRAZINE HYDROCHLORIDE

(5-IODO-PYRIDIN-2-YL)-HYDRAZINE

methyl 4-methyl-1-naphthoate

3-(1H-IMIDAZOL-1-YL)-1-PHENYL-1-PROPANONE

borane-diphenylphosphine complex

C12H14BP (200.0926124)

(z)-ethyl-4,5-o-isopropylidene-(s)-4,5-dihydroxy-2-pentenoate

3-Methylphenyl phenyl sulfide

2,2-difluoro-3,3-dimethyl-1,4-benzodioxene

4,5-Pyrimidinediamine,N4-butyl-6-chloro-

C7H11F3O3 (200.06602519999998)

Ethyl 2-methyl-3-hydroxy-4,4,4-trifluorobutyrate

N-Ethyl 3-Aminobenzenesulfonamide

4-(Dimethoxymethyl)-2-(methylthio)pyrimidine

3-phenyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridine

1,4-Cyclohexanediol,diacetate, trans- (8CI,9CI)

3-Methyl-4-(3-pyridinyloxy)aniline

4-(Pyridin-2-ylmethoxy)aniline

1H-Benzimidazole,5-methoxy-1-methyl-2-(1-propynyl)-(9CI)

2-Amino-N-phenylethanesulfonamide

4-Oxo-1-(2-pyridinyl)cyclohexanecarbonitrile

1-(7-METHOXY-NAPHTHALEN-2-YL)-ETHANONE

Quinoline, 1-(cyanoacetyl)-1,2,3,4-tetrahydro- (9CI)

C10H16O4-2 (200.10485359999998)

Sebacate

3-(Prop-1-en-2-yl)heptanedioic acid

Thiobarbital

4-Deoxy-2,3-dihydromycosinol

2-(2,4-Hexadiynylidene)-1,6-dioxaspiro[4.4]non-3-ene

Glycine beta-naphthylamide

3-amino-5H-pyrimido[5,4-b]indol-4-one

4-methoxy-N-(2-pyrrolylidenemethyl)aniline

4-Decenedioic acid

C7H12N4OS (200.07317819999997)

4-(Dimethylamino)-3,5-difluorobenzamide

C9H10F2N2O (200.0761154)

4,6-dimethyl-2-(methylthio)-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one

Tonghaosu, (Z)-

(7Z)-4-Deoxy-2,3-dihydromycosinol

(8Z)-8-Hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]non-6-ene is a member of the class of compounds known as ketals. Ketals are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals (8Z)-8-Hexa-2,4-diynylidene-4,9-dioxaspiro[4.4]non-6-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa).

1,2-Cyclohexanediol diacetate, trans-

Methyl N-acetyl allosamine

Monobenzone

4-(Phenylmethoxy)phenol

C9H12O5-2 (200.06847019999998)

D - Dermatologicals Same as: D05072

S-(+)-3,6,8-trimethylallantoin

C7H12N4O3 (200.0909362)

Mooda

(R)-3,6,8-trimethylallantoin

C7H12N4O3 (200.0909362)

2-(5-Methyl-1H-benzimidazol-2(3H)-ylidene)-2-nitrosoacetonitrile

Lactinolide

A monoterpenoid that is hexahydro-1-benzofuran-2-one carrying two methyl substituents at positions 3 and 6 as well as two hydroxy substituents at positions 5 and 6 (the 3R,3aR,5S,6S,7aR-diastereomer).

N-(1,2,3,9-Tetrahydrocarbazol-4-ylidene)hydroxylamine

3-[(2-Aminoethyl)thio]-6-methyl-1-azabicyclo[3.2.0]heptan-7-one

(6S)-3,3-dimethylpiperidine-2,6-dicarboxylate

C9H14NO4- (200.0922784)

4-Phenyl-2-(2-oxopropyl)furan

Dimethyl 4-methyl-3-heptenedioate

(3-Phenoxyphenyl)methanol

A member of the class of benzyl alcohols that is benzyl alcohol bearing a phenoxy substituent at C-3. It is a metbaolite of the insecticide permethrin.

Diamidafos

phenyl N,N-dimethylphosphorodiamidate

C8H13N2O2P (200.0714608)

DEHYDROTREMETONE

Ethanone,1-[2-(1-methylethenyl)-5-benzofuranyl]-

(+)-(3S,4R)-3,4-dihydroxy-3,4-dihydrofluorene

3-(7-Oxo-1-aza-4-oxabicyclo(3.2.0)hept-3-yl)alanine

Dihydroclavaminic acid

sebacate(2-)

A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of suberic acid; major species at pH 7.3.

dihydroclavaminic acid zwitterion

Zwitterionic form of dihydroclavaminic acid.

bisphenol F

Bis(2-hydroxyphenyl)methane

cis-4-Decenedioic acid

(1R,2R,3S,1R)-Nepetalinic acid

cis-5-Decenedioic acid

3,6-Dihydro-4-(4-methyl-3-pentenyl)-1,2-dithiin

2,3-dihydroxydec-4-ynoic acid

alpha-Carboxy-delta-nonalactone

5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid

4,4-Oxydianiline

Dioxodecanoic acid

Cyclo(Ala-Glu)

Cyclo(Cys-Pro)

6-[(1s)-1-hydroxypropyl]-4-methoxy-5-methyl-2h-pyran-2-ol

3-hydroperoxy-2-methylidenebutyl 2-methylbut-2-enoate

3-(but-1-en-1-yl)isochromen-1-one

(3s,7r,8as)-1,7-dihydroxy-3-(hydroxymethyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one

1-methyl-3h,4h,9h-pyrido[3,4-b]indol-2-ium-2-olate

6-(2-phenylethenyl)-5,6-dihydropyran-2-one

4-hydroxy-6,6a-bis(hydroxymethyl)-3h,3ah,4h-cyclopenta[b]furan-2-one

methyl 2-[(1s,6s)-1,6-dihydroxy-4-oxocyclohex-2-en-1-yl]acetate

6,7-dihydroxy-4,7-dimethyl-hexahydrocyclopenta[b]pyran-3-one

(4r,10r)-4-hydroxy-10-methyloxecane-2,6-dione

3,4-bis(hydroxymethyl)-5-methyl-hexahydrocyclopenta[b]furan-2-one

(4r,4ar,6s,7r,7as)-6,7-dihydroxy-4,7-dimethyl-hexahydrocyclopenta[b]pyran-3-one

(4s,4ar,6s,7r,7ar)-6-hydroxy-4-(hydroxymethyl)-7-methyl-hexahydro-1h-cyclopenta[c]pyran-3-one

7-hydroperoxy-1-hydroxy-3,7-dimethylocta-2,5-dien-4-one

2,4'-bisphenol f

methyl 2-(2-hydroxy-3,4-dimethyl-5-oxofuran-2-yl)acetate

4-methoxy-3-(3-methylbut-3-en-1-yn-1-yl)benzaldehyde

5,8-dihydroxy-10-methyl-3,4,5,8,9,10-hexahydrooxecin-2-one

(6s)-6-[(1e)-2-phenylethenyl]-5,6-dihydropyran-2-one

(4as,9ar)-4ah,9h,9ah-pyrido[3,4-b]indol-1-ylmethanol

(2z,4e,6r,9r)-6,9-dihydroxydeca-2,4-dienoic acid

2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]-non-3-ene

{"Ingredient_id": "HBIN005672","Ingredient_name": "2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4,4]-non-3-ene","Alias": "NA","Ingredient_formula": "C13H12O2","Ingredient_Smile": "CC#CC#CC=C1C=CC2(O1)CCCO2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9495","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

3-(1-butenyl)-1h-2-benzopyran-1-one,9ci; (e)-form

{"Ingredient_id": "HBIN006974","Ingredient_name": "3-(1-butenyl)-1h-2-benzopyran-1-one,9ci; (e)-form","Alias": "NA","Ingredient_formula": "C13H12O2","Ingredient_Smile": "NA","Ingredient_weight": "200.23","OB_score": "NA","CAS_id": "29428-84-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8509","PubChem_id": "NA","DrugBank_id": "NA"}

4,7-dihydroxy-10-methyl-3,4,7,8,9,10-hexahydro-oxecin-2-one

{"Ingredient_id": "HBIN010089","Ingredient_name": "4,7-dihydroxy-10-methyl-3,4,7,8,9,10-hexahydro-oxecin-2-one","Alias": "NA","Ingredient_formula": "C10H16O4","Ingredient_Smile": "CC1CCC(C=CC(CC(=O)O1)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6033","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

(4r,5r,7s,8s,9s)-7-hydroxy-8-hydroxymethyl-4-methyl-perhydrocyclopenta[ c]pyran-1-one

{"Ingredient_id": "HBIN010867","Ingredient_name": "(4r,5r,7s,8s,9s)-7-hydroxy-8-hydroxymethyl-4-methyl-perhydrocyclopenta[ c]pyran-1-one","Alias": "NA","Ingredient_formula": "C10H16O4","Ingredient_Smile": "CC1COC(=O)C2C1CC(C2CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10207","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

7-hydroxy viteoid ii

{"Ingredient_id": "HBIN013293","Ingredient_name": "7-hydroxy viteoid ii","Alias": "NA","Ingredient_formula": "C9H12O5","Ingredient_Smile": "C1COC(=O)C2=C(C(C(C21)O)O)CO","Ingredient_weight": "200.19 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10824","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11095628","DrugBank_id": "NA"}

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