Exact Mass: 213.1033

Exact Mass Matches: 213.1033

Found 88 metabolites which its exact mass value is equals to given mass value 213.1033, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

semeron

Desmetryn

C8H15N5S (213.1048)


   

Simetryn

Pesticide5_Simetryn_C8H15N5S_Ethanamine, N,N-[6-(methylthio)-1,3,5-triazine-2,4(1H,3H)-diylidene]bis-

C8H15N5S (213.1048)


CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7531; ORIGINAL_PRECURSOR_SCAN_NO 7528 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7493; ORIGINAL_PRECURSOR_SCAN_NO 7491 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7430; ORIGINAL_PRECURSOR_SCAN_NO 7428 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7547; ORIGINAL_PRECURSOR_SCAN_NO 7544 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7469; ORIGINAL_PRECURSOR_SCAN_NO 7467 CONFIDENCE standard compound; INTERNAL_ID 928; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7529; ORIGINAL_PRECURSOR_SCAN_NO 7525 CONFIDENCE standard compound; INTERNAL_ID 2605 CONFIDENCE standard compound; INTERNAL_ID 8404 CONFIDENCE standard compound; INTERNAL_ID 4021

   

Phenazopyridine

3-[(E)-2-phenyldiazen-1-yl]pyridine-2,6-diamine

C11H11N5 (213.1014)


Phenazopyridine is only found in individuals that have used or taken this drug. It is a local anesthetic that has been used in urinary tract disorders. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity. [PubChem]Phenazopyridines mechanism of action is not well known, and only basic information on its interaction with the body is available. It is known that the chemical has a direct topical analgesic effect on the mucosa lining of the urinary tract. C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals KEIO_ID P036; [MS2] KO009187 KEIO_ID P036

   

2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline

2-Amino-3,8-dimethylimidazo-[4,5-f]quinoxaline (MeIQx)

C11H11N5 (213.1014)


2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline is found in animal foods. 2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline is a food-related mutagen isolated from cooked meats (especially grilled/barbecued Food-related mutagen isolated from cooked meats (especies grilled/barbecued). 2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline is found in animal foods. CONFIDENCE standard compound; INTERNAL_ID 2292 CONFIDENCE standard compound; INTERNAL_ID 6 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

Digenin

(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

C10H15NO4 (213.1001)


D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2]. Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2].

   

3-oxo-C6-homoserine lactone

N-(3-oxo-hexanoyl)-homoserine lactone

C10H15NO4 (213.1001)


CONFIDENCE standard compound; INTERNAL_ID 208

   

N-(3-Oxohexanoyl)homoserine lactone

3-oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-hexanamide

C10H15NO4 (213.1001)


   

alpha-Allokainic acid

alpha-Allokainic acid

C10H15NO4 (213.1001)


   

kainic acid

3-(carboxymethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylic acid

C10H15NO4 (213.1001)


   

4-(1-Hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-(1-Hydroxy-2-methoxyethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol

C10H15NO4 (213.1001)


   

clasto-lactacystin beta-lactone

clasto-lactacystin beta-lactone

C10H15NO4 (213.1001)


   

Deethylterbutryne

Irgarol-descyclopropyl

C8H15N5S (213.1048)


CONFIDENCE standard compound; INTERNAL_ID 2046

   

Methyl 2-diazoacetamidohexonate

Methyl 2-diazoacetamidohexonate

C9H15N3O3 (213.1113)


   

Methyl 2-diazoacetamidohexanoate

Methyl 2-diazoacetamidohexanoate

C9H15N3O3 (213.1113)


   

1-(2,5-Dihydro-3-methylfuran-2-yl)-3-hydroxy-5-methoxypyrrolidine-2-one

1-(2,5-Dihydro-3-methylfuran-2-yl)-3-hydroxy-5-methoxypyrrolidine-2-one

C10H15NO4 (213.1001)


   

4-Ethoxy-3,3a,4,5,7,7a-hexahydro-3a-hydroxy-1H-indole-2,6-dione

4-Ethoxy-3,3a,4,5,7,7a-hexahydro-3a-hydroxy-1H-indole-2,6-dione

C10H15NO4 (213.1001)


   

(3aR)-4,4-Dimethyl-6-oxo-(3ar,7ac)-octahydro-pyrano[3,4-c]pyrrol-1c-carbonsaeure|(3aR)-4,4-dimethyl-6-oxo-(3ar,7ac)-octahydro-pyrano[3,4-c]pyrrole-1c-carboxylic acid|kainic acid lactone

(3aR)-4,4-Dimethyl-6-oxo-(3ar,7ac)-octahydro-pyrano[3,4-c]pyrrol-1c-carbonsaeure|(3aR)-4,4-dimethyl-6-oxo-(3ar,7ac)-octahydro-pyrano[3,4-c]pyrrole-1c-carboxylic acid|kainic acid lactone

C10H15NO4 (213.1001)


   

3,3-[Iminobis(methylene)]bis-2(3H)furanone

3,3-[Iminobis(methylene)]bis-2(3H)furanone

C10H15NO4 (213.1001)


   

Kainic acid

(2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

C10H15NO4 (213.1001)


Kainic acid is a dicarboxylic acid, a pyrrolidinecarboxylic acid, a L-proline derivative and a non-proteinogenic L-alpha-amino acid. It has a role as an antinematodal drug and an excitatory amino acid agonist. It is a conjugate acid of a kainate(1-). (2S-(2 alpha,3 beta,4 beta))-2-Carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid. Ascaricide obtained from the red alga Digenea simplex. It is a potent excitatory amino acid agonist at some types of excitatory amino acid receptors and has been used to discriminate among receptor types. Like many excitatory amino acid agonists it can cause neurotoxicity and has been used experimentally for that purpose. D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2]. Kainic acid is a potent excitotoxic agent. Kainic acid hydrate also is an agonist for a subtype of ionotropic glutamate receptor. Kainic acid induces seizures[1][2].

   

Irgarol-descyclopropyl

Irgarol-descyclopropyl

C8H15N5S (213.1048)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 283

   

Kainic acid

Kainic acid

C10H15NO4 (213.1001)


Annotation level-1

   

N-(3-Oxohexanoyl)-L-homoserine lactone

(2S)-2-[(3-oxohexanoyl)amino]-4-methyl-4-oxobutanoate lactone

C10H15NO4 (213.1001)


N-(3-Oxohexanoyl)-L-homoserine lactone (3-oxo-C6-HSL) is an important signaling molecule used by many bacteria in a process known as quorum sensing (QS). This process allows bacteria to communicate with each other and coordinate their behavior based on population density. Here are some of the key biological functions of 3-oxo-C6-HSL: 1. **Quorum Sensing Signaling**: As a quorum sensing autoinducer, 3-oxo-C6-HSL plays a critical role in regulating gene expression in response to changes in cell population density. When the concentration of 3-oxo-C6-HSL reaches a certain threshold, it binds to specific receptors, triggering a cascade of cellular responses. 2. **Regulation of Virulence Factors**: In many pathogenic bacteria, 3-oxo-C6-HSL is involved in the regulation of virulence factors, which are molecules or proteins that enhance the bacterium's ability to cause disease. By controlling the expression of these factors, 3-oxo-C6-HSL can significantly influence the pathogenicity of the bacteria. 3. **Biofilm Formation and Regulation**: Biofilms are structured communities of bacteria that are often encased in a self-produced matrix. 3-oxo-C6-HSL can play a role in the initiation, development, and maintenance of biofilms. Biofilms are associated with increased resistance to antibiotics and immune system evasion, making them a significant concern in medical and industrial settings. 4. **Cell Motility and Swarm Behavior**: In some bacteria, 3-oxo-C6-HSL is involved in regulating cell motility, which includes the ability to move towards or away from certain stimuli. This can affect the bacteria's ability to colonize new areas or to form biofilms. 5. **Symbiotic Interactions**: 3-oxo-C6-HSL is not only important in pathogenic bacteria but also in beneficial interactions, such as those found in nitrogen-fixing bacteria or in symbiotic relationships with plants and animals. Understanding the role of 3-oxo-C6-HSL and other quorum sensing molecules is crucial for developing new strategies to control bacterial infections, manage biofilm-related issues, and potentially exploit these systems for beneficial purposes.

   

phenazopyridine

3-(Phenylazo)-2,6-pyridinediamine

C11H11N5 (213.1014)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7480; ORIGINAL_PRECURSOR_SCAN_NO 7478 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7493; ORIGINAL_PRECURSOR_SCAN_NO 7491 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7521; ORIGINAL_PRECURSOR_SCAN_NO 7518 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7529; ORIGINAL_PRECURSOR_SCAN_NO 7525 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7547; ORIGINAL_PRECURSOR_SCAN_NO 7544 CONFIDENCE standard compound; INTERNAL_ID 801; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7531; ORIGINAL_PRECURSOR_SCAN_NO 7528

   

Clasto-Lactacystin β-lactone

1R-[1S-1hydroxy-2-methylpropyl]-4R-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

C10H15NO4 (213.1001)


   

(R)-2-Methyl-3,5-dioxo-pyrrolidine-1-carboxylic acid tert-butyl ester

(R)-2-Methyl-3,5-dioxo-pyrrolidine-1-carboxylic acid tert-butyl ester

C10H15NO4 (213.1001)


   

1-Pyridin-3-yl-methylpiperazine hydrochloride

1-Pyridin-3-yl-methylpiperazine hydrochloride

C10H16ClN3 (213.1033)


   

4-isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl

4-isothiocyanato-2,2,6,6-tetramethylpiperidine 1-oxyl

C10H17N2OS (213.1062)


   

1-[(4-Pyridyl)Methyl]piperazine Hydrochloride

1-[(4-Pyridyl)Methyl]piperazine Hydrochloride

C10H16ClN3 (213.1033)


   

N-(3,4-DIFLUOROPHENYL)-2,2-DIMETHYLPROPIONAMIDE

N-(3,4-DIFLUOROPHENYL)-2,2-DIMETHYLPROPIONAMIDE

C11H13F2NO (213.0965)


   

4-tert-butylpyridine-2-carboximidamide,hydrochloride

4-tert-butylpyridine-2-carboximidamide,hydrochloride

C10H16ClN3 (213.1033)


   

4-(2,3-DIHYDRO-1H-INDOL-1-YL)-1,3,5-TRIAZIN-2-AMINE

4-(2,3-DIHYDRO-1H-INDOL-1-YL)-1,3,5-TRIAZIN-2-AMINE

C11H11N5 (213.1014)


   

N-(4-PIPERIDONE)GLUTARAMIC ACID

N-(4-PIPERIDONE)GLUTARAMIC ACID

C10H15NO4 (213.1001)


   

(S)-1-Boc-2,3-dihydro-1H-pyrrole-2-carboxylic acid

(S)-1-Boc-2,3-dihydro-1H-pyrrole-2-carboxylic acid

C10H15NO4 (213.1001)


   

[2-(butylamino)-3,4-dioxocyclobuten-1-yl]urea

[2-(butylamino)-3,4-dioxocyclobuten-1-yl]urea

C9H15N3O3 (213.1113)


   

5-butylpyridine-2-carboximidamide,hydrochloride

5-butylpyridine-2-carboximidamide,hydrochloride

C10H16ClN3 (213.1033)


   

tert-Butyl 3,5-dioxopiperidine-1-carboxylate

tert-Butyl 3,5-dioxopiperidine-1-carboxylate

C10H15NO4 (213.1001)


   

5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-amine

5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-amine

C11H11N5 (213.1014)


   

3-(ISOTHIOCYANATOMETHYL)-2,2,5,5-TETRAMETHYL-1-PYRROLIDINYLOXY

3-(ISOTHIOCYANATOMETHYL)-2,2,5,5-TETRAMETHYL-1-PYRROLIDINYLOXY

C10H17N2OS (213.1062)


   

5-(Dimethoxymethyl)-2,3-dimethoxypyridine

5-(Dimethoxymethyl)-2,3-dimethoxypyridine

C10H15NO4 (213.1001)


   

N-Boc-2-propargyl-glycine

N-Boc-2-propargyl-glycine

C10H15NO4 (213.1001)


   

ethyl 4-methoxy-1-methyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carboxylate

ethyl 4-methoxy-1-methyl-2-oxo-1,2,5,6-tetrahydropyridine-3-carboxylate

C10H15NO4 (213.1001)


   

N-Boc-5-Methylpyrrolidine-2,4-dione

N-Boc-5-Methylpyrrolidine-2,4-dione

C10H15NO4 (213.1001)


   

6-(Dimethoxymethyl)-2,3-dimethoxypyridine

6-(Dimethoxymethyl)-2,3-dimethoxypyridine

C10H15NO4 (213.1001)


   

6-tert-butyl-4-methyl-3-(methylthio)-1,2,4-triazin-5(4H)-one

6-tert-butyl-4-methyl-3-(methylthio)-1,2,4-triazin-5(4H)-one

C9H15N3OS (213.0936)


   

(S)-N-Boc-Propargylglycine

(S)-N-Boc-Propargylglycine

C10H15NO4 (213.1001)


   

N1-[(6-Chloro-3-pyridinyl)methyl]-2-methyl-1,2-propanediamine

N1-[(6-Chloro-3-pyridinyl)methyl]-2-methyl-1,2-propanediamine

C10H16ClN3 (213.1033)


   

(S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid

(S)-1-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole-2-carboxylic acid

C10H15NO4 (213.1001)


   

(3S)-3-(1-ETHOXYETHOXY)-GAMMA-BUTYROLACTONE

(3S)-3-(1-ETHOXYETHOXY)-GAMMA-BUTYROLACTONE

C9H15N3O3 (213.1113)


   

2-ACETYLAMINO-2-CYANO-N-(3-METHOXY-PROPYL)-ACETAMIDE

2-ACETYLAMINO-2-CYANO-N-(3-METHOXY-PROPYL)-ACETAMIDE

C9H15N3O3 (213.1113)


   

4-Chloro-6-methyl-5-pentyl-2-pyrimidinamine

4-Chloro-6-methyl-5-pentyl-2-pyrimidinamine

C10H16ClN3 (213.1033)


   

4-(3,4-difluoro-phenoxy)-piperidine hydrochloride

4-(3,4-difluoro-phenoxy)-piperidine hydrochloride

C11H13F2NO (213.0965)


   

Boc-D-Propargylglycine

Boc-D-Propargylglycine

C10H15NO4 (213.1001)


   

4-(3-Hydroxypropylamino)-1,3-dimethyluracil

4-(3-Hydroxypropylamino)-1,3-dimethyluracil

C9H15N3O3 (213.1113)


   

N-t-Boc-4-Hydroxy-L-pyrrolidine lactone

N-t-Boc-4-Hydroxy-L-pyrrolidine lactone

C10H15NO4 (213.1001)


   

(2-TERT-BUTYLTHIAZOL-4-YL)ACETIC ACID HYDRAZIDE

(2-TERT-BUTYLTHIAZOL-4-YL)ACETIC ACID HYDRAZIDE

C9H15N3OS (213.0936)


   

3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine

3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine

C11H11N5 (213.1014)


   

tert-butyl N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]carbamate

tert-butyl N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]carbamate

C9H15N3O3 (213.1113)


   

5,6,7,8-TETRAHYDRO-4-METHYL-2-QUINAZOLINEMETHANAMINEHYDROCHLORIDE

5,6,7,8-TETRAHYDRO-4-METHYL-2-QUINAZOLINEMETHANAMINEHYDROCHLORIDE

C10H16ClN3 (213.1033)


   

6-AMINO-5-(DIETHOXYMETHYL)PYRIMIDIN-4(3H)-ONE

6-AMINO-5-(DIETHOXYMETHYL)PYRIMIDIN-4(3H)-ONE

C9H15N3O3 (213.1113)


   

diethyl-(5-chloro-pentyl)-amine, hydrochloride

diethyl-(5-chloro-pentyl)-amine, hydrochloride

C9H21Cl2N (213.1051)


   

N-(Trifluoroacetyl)hexanolamine

N-(Trifluoroacetyl)hexanolamine

C8H14F3NO2 (213.0977)


   

2-Amino-3,7-dimethylimidazo[4,5-f]quinoxaline

2-Amino-3,7-dimethylimidazo[4,5-f]quinoxaline

C11H11N5 (213.1014)


   

tert-Butyl 2,4-dioxopiperidine-1-carboxylate

tert-Butyl 2,4-dioxopiperidine-1-carboxylate

C10H15NO4 (213.1001)


   

3-(1-Piperazinyl)aniline hydrochloride (1:1)

3-(1-Piperazinyl)aniline hydrochloride (1:1)

C10H16ClN3 (213.1033)


   

(−)-(α)-Kainic Acid

(−)-(α)-Kainic Acid

C10H15NO4 (213.1001)


   

[4-((2S)PYRROLIDIN-2-YL)PHENOXY]DIFLUOROMETHANE

[4-((2S)PYRROLIDIN-2-YL)PHENOXY]DIFLUOROMETHANE

C11H13F2NO (213.0965)


   

6-Chloro-N,N-dipropylpyrimidin-4-amine

6-Chloro-N,N-dipropylpyrimidin-4-amine

C10H16ClN3 (213.1033)


   

4-Piperidinamine, 1-(2-pyridinyl)-, hydrochloride (1:1)

4-Piperidinamine, 1-(2-pyridinyl)-, hydrochloride (1:1)

C10H16ClN3 (213.1033)


   

4(3H)-Pyrimidinone,2-amino-6-(diethoxymethyl)-

4(3H)-Pyrimidinone,2-amino-6-(diethoxymethyl)-

C9H15N3O3 (213.1113)


   

Diethyl (2-cyanoethyl)malonate

Diethyl (2-cyanoethyl)malonate

C10H15NO4 (213.1001)


   

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylurea

1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylurea

C9H15N3OS (213.0936)


   

N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine

N-methyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine

C9H15N3OS (213.0936)


   

3-(Carboxymethyl)-4-isopropenylproline

3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-

C10H15NO4 (213.1001)


   

Kainate lactone

Kainate lactone

C10H15NO4 (213.1001)


   

(1S,3aR,7aS)-4,4-dimethyl-6-oxo-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrole-1-carboxylic acid

(1S,3aR,7aS)-4,4-dimethyl-6-oxo-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrole-1-carboxylic acid

C10H15NO4 (213.1001)


   

N-Diazoacetylnorleucine methyl ester

N-Diazoacetylnorleucine methyl ester

C9H15N3O3 (213.1113)


A diazonium betaine obtained by the deprotonation of the hydroxy group of (Z)-2-hydroxy-2-{[(2S)-1-methoxy-1-oxohexan-2-yl]amino}ethenediazonium.

   

(2Z)-2-(2,6-dihydroxy-3,4-dimethoxycyclohexylidene)acetonitrile

(2Z)-2-(2,6-dihydroxy-3,4-dimethoxycyclohexylidene)acetonitrile

C10H15NO4 (213.1001)


   

MeIQx

MeIQx

C11H11N5 (213.1014)


D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens

   

GS26575

GS26575

C8H15N5S (213.1048)


A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a methylsulfanyl group at position 6 and a tert-buty group at the amino nitrogen atom.

   

Cyclo(Asn-Val)

Cyclo(Asn-Val)

C9H15N3O3 (213.1113)


   

(1r,5s)-3-hydroxy-1-(1-hydroxy-2-methylpropyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one

(1r,5s)-3-hydroxy-1-(1-hydroxy-2-methylpropyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one

C10H15NO4 (213.1001)


   

6-methoxy-2-methyl-β-carbolinium(cation)

NA

C13H13N2O+ (213.1028)


{"Ingredient_id": "HBIN012504","Ingredient_name": "6-methoxy-2-methyl-\u03b2-carbolinium(cation)","Alias": "NA","Ingredient_formula": "C13H13N2O+","Ingredient_Smile": "C[N+]1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14001","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

3-oxo-n-[(3s)-2-oxooxolan-3-yl]hexanimidic acid

3-oxo-n-[(3s)-2-oxooxolan-3-yl]hexanimidic acid

C10H15NO4 (213.1001)


   

3-oxo-n-(2-oxooxolan-3-yl)hexanimidic acid

3-oxo-n-(2-oxooxolan-3-yl)hexanimidic acid

C10H15NO4 (213.1001)


   

(1r,4r,5s)-3-hydroxy-1-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one

(1r,4r,5s)-3-hydroxy-1-[(1s)-1-hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one

C10H15NO4 (213.1001)


   

(3r,5r)-3-hydroxy-5-methoxy-1-[(2r)-3-methyl-2,5-dihydrofuran-2-yl]pyrrolidin-2-one

(3r,5r)-3-hydroxy-5-methoxy-1-[(2r)-3-methyl-2,5-dihydrofuran-2-yl]pyrrolidin-2-one

C10H15NO4 (213.1001)


   

(3r,5r)-5-hydroxy-3-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one

(3r,5r)-5-hydroxy-3-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one

C10H15NO4 (213.1001)


   

3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one

3-hydroxy-5-methoxy-1-(3-methyl-2,5-dihydrofuran-2-yl)pyrrolidin-2-one

C10H15NO4 (213.1001)