Exact Mass: 198.07169919999998

Exact Mass Matches: 198.07169919999998

Found 308 metabolites which its exact mass value is equals to given mass value 198.07169919999998, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Mimosine

1(4H)-Pyridinepropanoic acid, .alpha.-amino-3-hydroxy-4-oxo-, (.alpha.S)-

C8H10N2O4 (198.064054)


Mimosine is only found in individuals that have used or taken this drug. It is an antineoplastic alanine-substituted pyridine derivative isolated from Leucena glauca. [PubChem]Mimosine causes inhibition of DNA replication, changes in the progression of the cells in the cell cycle, and apoptosis. Mimosine appears to introduce breaks into DNA. Mimosine is an iron/zinc chelator. Iron depletion induces DNA double-strand breaks in treated cells, and activates a DNA damage response that results in focal phosphorylation of histones. This leads to inhibition of DNA replication and/or DNA elongation. Some studies indicate that mimosine prevents the initiation of DNA replication, whereas other studies indicate that mimosine disrupts elongation of the replication fork by impairing deoxyribonucleotide synthesis by inhibiting the activity of the iron-dependent enzyme ribonucleotide reductase and the transcription of the cytoplasmic serine hydroxymethyltransferase gene (SHMT). Inhibition of serine hydroxymethyltransferase is moderated by a zinc responsive unit located in front of the SHMT gene. L-mimosine is an L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica. It has a role as an EC 1.14.18.1 (tyrosinase) inhibitor and a plant metabolite. It is a non-proteinogenic L-alpha-amino acid and a member of 4-pyridones. It is functionally related to a propionic acid. It is a conjugate acid of a L-mimosine(1-). It is a tautomer of a L-mimosine zwitterion. Mimosine is an antineoplastic alanine-substituted pyridine derivative isolated from Leucena glauca. 3-Hydroxy-4-oxo-1(4H)-pyridinealanine. An antineoplastic alanine-substituted pyridine derivative isolated from Leucena glauca. An L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica. Mimosine, a tyrosine analog , can act as an antioxidant by its potent iron-binding activity[1]. Mimosine is a known chelator of Fe(III)[2]. Mimosine induces apoptosis through metal ion chelation, mitochondrial activation and ROS production in human leukemic cells[3]. Anti-cancer, antiinflammation. Mimosine, a tyrosine analog , can act as an antioxidant by its potent iron-binding activity[1]. Mimosine is a known chelator of Fe(III)[2]. Mimosine induces apoptosis through metal ion chelation, mitochondrial activation and ROS production in human leukemic cells[3]. Anti-cancer, antiinflammation.

   

Cymoxanil

Pesticide4_Cymoxanil_C7H10N4O3_(2E)-2-Cyano-N-(ethylcarbamoyl)-2-(methoxyimino)acetamide

C7H10N4O3 (198.075287)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 112

   

4-Hydroxybenzophenone

(4-Hydroxyphenyl)phenylmethanone

C13H10O2 (198.06807600000002)


   

N-NITROSODIPHENYLAMINE

N-Nitrosodiphenylamine, 14C-labeled

C12H10N2O (198.079309)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3355 D009676 - Noxae > D002273 - Carcinogens

   

Clavaminate

Clavaminic acid

C8H10N2O4 (198.064054)


   

3,4-Dihydroxyfluorene

3,4-Dihydroxyfluorene

C13H10O2 (198.06807600000002)


A member of the class of hydroxyfluorenes that is 9H-fluorene substituted by hydroxy groups at positions 3 and 4.

   

1,2-Dihydroxyfluorene

1,2-Dihydroxyfluorene

C13H10O2 (198.06807600000002)


A member of the class of hydroxyfluorenes that is 9H-fluorene substituted by hydroxy groups at positions 1 and 2.

   

Dehydrosafynol

Dehydrosafynol; (2R,11E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol

C13H10O2 (198.06807600000002)


Dehydrosafynol, also known as (2r,11e)-11-tridecene-3,5,7,9-tetrayne-1,2-diol, is a member of the class of compounds known as long-chain fatty alcohols. Long-chain fatty alcohols are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, dehydrosafynol is considered to be a fatty alcohol lipid molecule. Dehydrosafynol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Dehydrosafynol can be found in safflower, which makes dehydrosafynol a potential biomarker for the consumption of this food product.

   

SCHEMBL9792421

4-(2-Pyrazinylethenyl)phenol

C12H10N2O (198.079309)


   

5-Acetylamino-6-amino-3-methyluracil

N-(6-amino-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide

C7H10N4O3 (198.075287)


5-Acetylamino-6-amino-3-methyluracil (AAMU) is one of caffeine major metabolites. Analysis of caffeine and its metabolites is of interest with respect to caffeine exposure, for kinetic and metabolism studies and for opportunistic in vivo estimation of drug metabolizing enzyme activity in humans and animals. Urinary caffeine metabolite ratios are used in humans to assess the activity of cytochrome P450 1A2 (CYP1A2), xanthine oxidase and N-acetyltransferase 2 (NAT2), which are involved in the activation or detoxification of various xenobiotic compounds, including carcinogens. Investigating the activity of these enzymes is of clinical relevance for assessing intra- and inter-individual differences in NAT2- and CYP1A2-mediated drug metabolism, and for evaluating the risk of developing specific exposure-related diseases. (PMID: 3506820, 15685651, 12534641) [HMDB] 5-Acetylamino-6-amino-3-methyluracil (AAMU) is one of caffeine major metabolites. Analysis of caffeine and its metabolites is of interest with respect to caffeine exposure, for kinetic and metabolism studies and for opportunistic in vivo estimation of drug metabolizing enzyme activity in humans and animals. Urinary caffeine metabolite ratios are used in humans to assess the activity of cytochrome P450 1A2 (CYP1A2), xanthine oxidase and N-acetyltransferase 2 (NAT2), which are involved in the activation or detoxification of various xenobiotic compounds, including carcinogens. Investigating the activity of these enzymes is of clinical relevance for assessing intra- and inter-individual differences in NAT2- and CYP1A2-mediated drug metabolism, and for evaluating the risk of developing specific exposure-related diseases. (PMID: 3506820, 15685651, 12534641).

   

Capillarin

1H-2-Benzopyran-1-one, 3-(2-butynyl)-

C13H10O2 (198.06807600000002)


   

Atractylodinol

(2E,8E)-9-(Furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol

C13H10O2 (198.06807600000002)


   

4-HYDROXYAZOBENZENE

4-HYDROXYAZOBENZENE

C12H10N2O (198.079309)


   

4-NITROSODIPHENYLAMINE

Benzenamine,4-nitroso-N-phenyl-

C12H10N2O (198.079309)


CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8669; ORIGINAL_PRECURSOR_SCAN_NO 8668 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8682; ORIGINAL_PRECURSOR_SCAN_NO 8680 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8681; ORIGINAL_PRECURSOR_SCAN_NO 8679 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8654; ORIGINAL_PRECURSOR_SCAN_NO 8652 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8608; ORIGINAL_PRECURSOR_SCAN_NO 8606 ORIGINAL_PRECURSOR_SCAN_NO 8679; CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8681 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4050; ORIGINAL_PRECURSOR_SCAN_NO 4049 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4085; ORIGINAL_PRECURSOR_SCAN_NO 4082 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4085; ORIGINAL_PRECURSOR_SCAN_NO 4080 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4053; ORIGINAL_PRECURSOR_SCAN_NO 4051 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4044; ORIGINAL_PRECURSOR_SCAN_NO 4042 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4052; ORIGINAL_PRECURSOR_SCAN_NO 4049 CONFIDENCE standard compound; INTERNAL_ID 798; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8689; ORIGINAL_PRECURSOR_SCAN_NO 8687

   

Harmol

9H-Pyrido(3,4-b)indol-7-ol, 1-methyl- (8CI)(9CI)

C12H10N2O (198.079309)


Alkaloid from Elaeagnus angustifolia (Russian olive) and Passiflora incarnata (maypops). Harmol is found in sea-buckthornberry, herbs and spices, and fruits. Harmol is found in fruits. Harmol is an alkaloid from Elaeagnus angustifolia (Russian olive) and Passiflora incarnata (maypops). Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1]. Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1].

   
   

Harmanine

1-methyl-9H-2λ⁵-pyrido[3,4-b]indol-2-one

C12H10N2O (198.079309)


Xi-3-heptanol, also known as 3-hydroxyheptane or butyl ethyl carbinol, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). Thus, xi-3-heptanol is considered to be a fatty alcohol lipid molecule. Xi-3-heptanol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Xi-3-heptanol can be found in fruits and herbs and spices, which makes xi-3-heptanol a potential biomarker for the consumption of these food products. Xi-3-heptanol can be found primarily in feces. Harmanine is found in alcoholic beverages. Harmanine is detected in wines.

   

4-[(2-Furanylmethyl)thio]-2-pentanone

4-{[(furan-2-yl)methyl]sulphanyl}pentan-2-one

C10H14O2S (198.0714464)


4-[(2-Furanylmethyl)thio]-2-pentanone is found in coffee and coffee products. 4-[(2-Furanylmethyl)thio]-2-pentanone is a odorous substance used in coffee compositions. 4-[(2-Furanylmethyl)thio]-2-pentanone is a food flavouring agent Odorous substance used in coffee compositions. Food flavouring agent. 4-[(2-Furanylmethyl)thio]-2-pentanone is found in coffee and coffee products.

   

3-(2-Furanyl)-2-phenyl-2-propenal

alpha-(2-Furanylmethylene)-benzeneacetaldehyde

C13H10O2 (198.06807600000002)


3-(2-Furanyl)-2-phenyl-2-propenal is a flavourant for tobacco and food product Flavourant for tobacco and food products

   

6-amino-5[N-methylformylamino]-1-methyluracil

N-(6-amino-4-hydroxy-1-methyl-2-oxo-1,2-dihydropyrimidin-5-yl)ethanimidic acid

C7H10N4O3 (198.075287)


6-amino-5[N-methylformylamino]-1-methyluracil belongs to the family of Pyrimidones. These are compounds whose pyrimidine ring bears a ketone.

   

4-Biphenylcarboxylic acid

4-Phenylbenzoic acid, potassium salt

C13H10O2 (198.06807600000002)


   

2-Chloro-6-(1-piperazinyl)pyrazine

6-Chloro-2-(1-piperazinyl)pyrazine, monohydrochloride

C8H11ClN4 (198.0672196)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists

   
   

N-Phenylnicotinamide

N-phenylpyridine-3-carboximidic acid

C12H10N2O (198.079309)


   

splitomicin

1,2-Dihydro-3H-naphtho[2,1-b]-pyran-3-one

C13H10O2 (198.06807600000002)


   

Harmol

1-Methyl-9H-pyrido[3,4-b]indol-7-ol Monohydrochloride Dihydrate

C12H10N2O (198.079309)


Harmol is a 9H-beta-carboline carrying a methyl substituent at C-1 and a hydroxy group at C-7; major microspecies at pH 7.3. It has a role as an antifungal agent, an apoptosis inducer and an autophagy inducer. It is a harmala alkaloid and an indole alkaloid. It is functionally related to a beta-carboline. Harmol is a natural product found in Fontinalis squamosa, Passiflora foetida, and other organisms with data available. Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.454 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.443 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.442 Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1]. Harmol categorized as a β-carboline alkaloid. Harmol is a potent MAO inhibitor used as an analytical reference standard[1].

   

1-Methoxy-9h-pyrido[3,4-b]indole

1-Methoxy-9h-pyrido[3,4-b]indole

C12H10N2O (198.079309)


   

Pimprinine

3-(2-Methyl-5-oxazolyl)-indole

C12H10N2O (198.079309)


   
   

4-Amino-2-pyrazin-2-ylpyrimidine-5-carbonitrile

4-Amino-2-pyrazin-2-ylpyrimidine-5-carbonitrile

C9H6N6 (198.0653916)


   

fentoxan

AZOXYBENZENE

C12H10N2O (198.079309)


CONFIDENCE standard compound; EAWAG_UCHEM_ID 3088

   

Terbuthylazine-TP CSCD692760 (LM3)

Terbuthylazine-TP CSCD692760 (LM3)

C7H10N4O3 (198.075287)


CONFIDENCE standard compound; UCHEM_ID 4177

   

trans-3-(5-Delta2,4-Hexadiinyl-furyl-(2))-acrolein|trans-3-<5-Delta2,4-Hexadiinyl-furyl-(2)>-acrolein

trans-3-(5-Delta2,4-Hexadiinyl-furyl-(2))-acrolein|trans-3-<5-Delta2,4-Hexadiinyl-furyl-(2)>-acrolein

C13H10O2 (198.06807600000002)


   
   
   

6-methoxy-9H-pyrido[3,4-b]indole

6-methoxy-9H-pyrido[3,4-b]indole

C12H10N2O (198.079309)


   

(-)-Trideca-3t,5c,7,8-tetraen-10,12-diinsaeure|(-)-trideca-3t,5c,7,8-tetraene-10,12-diynoic acid|3,5,7,8-Tridecatetraene-10,12-diynoic acid

(-)-Trideca-3t,5c,7,8-tetraen-10,12-diinsaeure|(-)-trideca-3t,5c,7,8-tetraene-10,12-diynoic acid|3,5,7,8-Tridecatetraene-10,12-diynoic acid

C13H10O2 (198.06807600000002)


   
   

(E)-3,6-Dihydro-6-(2,4,6-octatriynylidene)-2H-pyran-3-ol

(E)-3,6-Dihydro-6-(2,4,6-octatriynylidene)-2H-pyran-3-ol

C13H10O2 (198.06807600000002)


   

1-Acetoxy-undeca-2t,10-dien-4,6,8-triin

1-Acetoxy-undeca-2t,10-dien-4,6,8-triin

C13H10O2 (198.06807600000002)


   

PHENYL BENZOATE

PHENYL BENZOATE

C13H10O2 (198.06807600000002)


CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3972; ORIGINAL_PRECURSOR_SCAN_NO 3968 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3965; ORIGINAL_PRECURSOR_SCAN_NO 3963 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3968; ORIGINAL_PRECURSOR_SCAN_NO 3966 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3961; ORIGINAL_PRECURSOR_SCAN_NO 3958 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3979; ORIGINAL_PRECURSOR_SCAN_NO 3975 CONFIDENCE standard compound; INTERNAL_ID 744; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3991; ORIGINAL_PRECURSOR_SCAN_NO 3989

   

C12=CC=CC=C2N(O)C2=C1C=CN=C2C

C12=CC=CC=C2N(O)C2=C1C=CN=C2C

C12H10N2O (198.079309)


   

Tridec-trans-3-cis-5-11,12-tetraen-7,9-diinsaeure

Tridec-trans-3-cis-5-11,12-tetraen-7,9-diinsaeure

C13H10O2 (198.06807600000002)


   
   

7-hexa-2,4-diynylidene-1,6-dioxa-spiro[4.4]nona-2,8-diene

7-hexa-2,4-diynylidene-1,6-dioxa-spiro[4.4]nona-2,8-diene

C13H10O2 (198.06807600000002)


   

2-Hydroxybenzophenone

2-Hydroxybenzophenone

C13H10O2 (198.06807600000002)


CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4232; ORIGINAL_PRECURSOR_SCAN_NO 4229 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3841; ORIGINAL_PRECURSOR_SCAN_NO 3839 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3863; ORIGINAL_PRECURSOR_SCAN_NO 3861 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3888; ORIGINAL_PRECURSOR_SCAN_NO 3885 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4322; ORIGINAL_PRECURSOR_SCAN_NO 4320 CONFIDENCE standard compound; INTERNAL_ID 1134; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4238; ORIGINAL_PRECURSOR_SCAN_NO 4236

   
   

surugapyrrole B

surugapyrrole B

C8H10N2O4 (198.064054)


A pyrrolecarboxamide obtained by the formal condensation of 1-hydroxy-1H-pyrrole-2-carboxylic acid with the amino group of 3-aminopropanoic acid. It is isolated from the culture broth of Streptomyces sp.USF-6280 and exhibits DPPH radical scavenging activity.

   

(S)-(-)-3-(2-carboxy-4-pyrrolyl)-alanine|(S)-4-(2-Amino-2-carboxyethyl)-1H-pyrrole-2-carboxylic acid|L-3-(2-carboxy-4-pyrrolyl)-alanine

(S)-(-)-3-(2-carboxy-4-pyrrolyl)-alanine|(S)-4-(2-Amino-2-carboxyethyl)-1H-pyrrole-2-carboxylic acid|L-3-(2-carboxy-4-pyrrolyl)-alanine

C8H10N2O4 (198.064054)


   

1-methyl-9H-pyrido[3,4-b]indol-6-ol

1-methyl-9H-pyrido[3,4-b]indol-6-ol

C12H10N2O (198.079309)


   

(E)-3-Tridecene-5,7,9,11-tetrayne-1,2-diol

(E)-3-Tridecene-5,7,9,11-tetrayne-1,2-diol

C13H10O2 (198.06807600000002)


   

9H-pyrido[3,4-b]indol-1-ylmethanol

9H-pyrido[3,4-b]indol-1-ylmethanol

C12H10N2O (198.079309)


   

splitomicin

1,2-dihydro-3H-naphtho[2,1-b]pyran-3-one

C13H10O2 (198.06807600000002)


   

Mimosine

Mimosine

C8H10N2O4 (198.064054)


relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 Mimosine, a tyrosine analog , can act as an antioxidant by its potent iron-binding activity[1]. Mimosine is a known chelator of Fe(III)[2]. Mimosine induces apoptosis through metal ion chelation, mitochondrial activation and ROS production in human leukemic cells[3]. Anti-cancer, antiinflammation. Mimosine, a tyrosine analog , can act as an antioxidant by its potent iron-binding activity[1]. Mimosine is a known chelator of Fe(III)[2]. Mimosine induces apoptosis through metal ion chelation, mitochondrial activation and ROS production in human leukemic cells[3]. Anti-cancer, antiinflammation.

   

harmol hydrochloride

harmol hydrochloride

C12H10N2O (198.079309)


   

5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE10

5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE10

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE20

5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE20

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE30

5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE30

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE40

5-Acetylamino-6-amino-3-methyluracil; LC-tDDA; CE40

C7H10N4O3 (198.075287)


   

6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE10

6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE10

C7H10N4O3 (198.075287)


   

6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE20

6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE20

C7H10N4O3 (198.075287)


   

6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE30

6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE30

C7H10N4O3 (198.075287)


   

6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE40

6-Amino-5-formamido-1,3-dimethyluracil; LC-tDDA; CE40

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil; AIF; CE0; CorrDec

5-Acetylamino-6-amino-3-methyluracil; AIF; CE0; CorrDec

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil; AIF; CE10; CorrDec

5-Acetylamino-6-amino-3-methyluracil; AIF; CE10; CorrDec

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil; AIF; CE30; CorrDec

5-Acetylamino-6-amino-3-methyluracil; AIF; CE30; CorrDec

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil; AIF; CE0; MS2Dec

5-Acetylamino-6-amino-3-methyluracil; AIF; CE0; MS2Dec

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil; AIF; CE10; MS2Dec

5-Acetylamino-6-amino-3-methyluracil; AIF; CE10; MS2Dec

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil; AIF; CE30; MS2Dec

5-Acetylamino-6-amino-3-methyluracil; AIF; CE30; MS2Dec

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil [M+Na]+; AIF; CE0; MS2Dec

5-Acetylamino-6-amino-3-methyluracil [M+Na]+; AIF; CE0; MS2Dec

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil [M+Na]+; AIF; CE10; MS2Dec

5-Acetylamino-6-amino-3-methyluracil [M+Na]+; AIF; CE10; MS2Dec

C7H10N4O3 (198.075287)


   

5-Acetylamino-6-amino-3-methyluracil [M+Na]+; AIF; CE30; MS2Dec

5-Acetylamino-6-amino-3-methyluracil [M+Na]+; AIF; CE30; MS2Dec

C7H10N4O3 (198.075287)


   

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE0; CorrDec

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE0; CorrDec

C7H10N4O3 (198.075287)


   

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE10; CorrDec

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE10; CorrDec

C7H10N4O3 (198.075287)


   

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE30; CorrDec

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE30; CorrDec

C7H10N4O3 (198.075287)


   

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE0; MS2Dec

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE0; MS2Dec

C7H10N4O3 (198.075287)


   

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE10; MS2Dec

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE10; MS2Dec

C7H10N4O3 (198.075287)


   

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE30; MS2Dec

6-Amino-5-formamido-1,3-dimethyluracil; AIF; CE30; MS2Dec

C7H10N4O3 (198.075287)


   
   

Harmanine

1-methyl-9H-2$l^{5},9-[1$l^{5}]pyrido[3,4-b]indol-2-one

C12H10N2O (198.079309)


   

FEMA 3840

4-[(furan-2-ylmethyl)sulfanyl]pentan-2-one

C10H14O2S (198.0714464)


   

spicy acrolein

alpha-(2-Furanylmethylene)-benzeneacetaldehyde

C13H10O2 (198.06807600000002)


   

FA 13:8

3Z,5Z-tridecadiene-7,9,11-triynoic acid

C13H10O2 (198.06807600000002)


   

Mycomycin

3E,5Z,7,8-tridecatetraene-10,12-diynoic acid

C13H10O2 (198.06807600000002)


A straight-chain polyunsaturated fatty acid comprising tridecanoic acid having (E)- and (Z)-double bonds at positions 3 and 5 respectively, an allenic system at positions 7-9 and triple bonds at positions 10 and 12.

   

AC1NQY3W

(2R,11E)-11-Tridecene-3,5,7,9-tetrayne-1,2-diol

C13H10O2 (198.06807600000002)


   
   

1H-Benzimidazole,1-(3-furanylmethyl)-(9CI)

1H-Benzimidazole,1-(3-furanylmethyl)-(9CI)

C12H10N2O (198.079309)


   

BENZYL(CHLOROMETHYL)DIMETHYLSILANE

BENZYL(CHLOROMETHYL)DIMETHYLSILANE

C10H15ClSi (198.06315)


   
   

4-Chloro-2-piperazin-1-yl-pyrimidine

4-Chloro-2-piperazin-1-yl-pyrimidine

C8H11ClN4 (198.0672196)


   

3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile

3-ethyl-4-(methoxyamino)-2,5-dioxoimidazolidine-4-carbonitrile

C7H10N4O3 (198.075287)


   

1-ETHYL-6-IMINODIHYDROPYRIMIDINE-2,4,5(3H)-TRIONE 5-(O-METHYLOXIME)

1-ETHYL-6-IMINODIHYDROPYRIMIDINE-2,4,5(3H)-TRIONE 5-(O-METHYLOXIME)

C7H10N4O3 (198.075287)


   

1H-Imidazole-1-carboxylicacid,5-amino-4-(aminocarbonyl)-,ethylester(9CI)

1H-Imidazole-1-carboxylicacid,5-amino-4-(aminocarbonyl)-,ethylester(9CI)

C7H10N4O3 (198.075287)


   

1H-Imidazole-4,5-dicarboxylicacid,4-ethyl5-methylester(9CI)

1H-Imidazole-4,5-dicarboxylicacid,4-ethyl5-methylester(9CI)

C8H10N2O4 (198.064054)


   

N-Phenylisonicotinamide

N-Phenylisonicotinamide

C12H10N2O (198.079309)


   

6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione

6-morpholin-4-yl-2H-1,2,4-triazine-3,5-dione

C7H10N4O3 (198.075287)


   

D-glucose monohydrate

alpha-D-Glucose monohydrate

C6H14O7 (198.0739494)


   

1-Phenyl-2-pyrazin-2-ylethanone

1-Phenyl-2-pyrazin-2-ylethanone

C12H10N2O (198.079309)


   

2-(4-AMINO-3-NITROPHENOXY)ETHAN-1-OL

2-(4-AMINO-3-NITROPHENOXY)ETHAN-1-OL

C8H10N2O4 (198.064054)


   

N-(6-CHLOROPYRIDAZIN-3-YL)-N,N-DIMETHYLETHANIMIDAMIDE

N-(6-CHLOROPYRIDAZIN-3-YL)-N,N-DIMETHYLETHANIMIDAMIDE

C8H11ClN4 (198.0672196)


   

4-Hydroxy-4-biphenylcarbaldehyde

4-Hydroxy-4-biphenylcarbaldehyde

C13H10O2 (198.06807600000002)


   

salicylidene 2-aminopyridine

salicylidene 2-aminopyridine

C12H10N2O (198.079309)


   
   

5-hydroxy-4-oxo-2-propan-2-yl-1H-pyrimidine-6-carboxylic acid

5-hydroxy-4-oxo-2-propan-2-yl-1H-pyrimidine-6-carboxylic acid

C8H10N2O4 (198.064054)


   
   

2-(2-Aminobenzoyl)pyridine

2-(2-Aminobenzoyl)pyridine

C12H10N2O (198.079309)


   

d(+)-glucose monohydrate

d(+)-glucose monohydrate

C6H14O7 (198.0739494)


   

7-methoxy-9H-pyrido[3,4-b]indole

7-methoxy-9H-pyrido[3,4-b]indole

C12H10N2O (198.079309)


   

1,4-Diazabicyclo[3.2.2]nonane dihydrochloride

1,4-Diazabicyclo[3.2.2]nonane dihydrochloride

C7H16Cl2N2 (198.0690476)


   
   

Ethyl 3-Ethoxy-2,2-difluoro-3-hydroxypropionate

Ethyl 3-Ethoxy-2,2-difluoro-3-hydroxypropionate

C7H12F2O4 (198.07036159999998)


   

(2-CHLORO-6-METHOXY-PYRIDIN-4-YL)-METHANOL

(2-CHLORO-6-METHOXY-PYRIDIN-4-YL)-METHANOL

C10H15ClSi (198.06315)


   

Benzenemethanol, a-butyl-2-chloro-

Benzenemethanol, a-butyl-2-chloro-

C11H15ClO (198.08113699999998)


   

4,5-Dimethoxy-2-nitroaniline

4,5-Dimethoxy-2-nitroaniline

C8H10N2O4 (198.064054)


   

4-Hydroxy-5,7-dimethyl-3-quinolinecarbonitrile

4-Hydroxy-5,7-dimethyl-3-quinolinecarbonitrile

C12H10N2O (198.079309)


   

8-ethyl-4-oxo-1H-quinoline-3-carbonitrile

8-ethyl-4-oxo-1H-quinoline-3-carbonitrile

C12H10N2O (198.079309)


   

6-ethyl-4-oxo-1H-quinoline-3-carbonitrile

6-ethyl-4-oxo-1H-quinoline-3-carbonitrile

C12H10N2O (198.079309)


   

7-ethyl-4-oxo-1H-quinoline-3-carbonitrile

7-ethyl-4-oxo-1H-quinoline-3-carbonitrile

C12H10N2O (198.079309)


   

7-Ethyl-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

7-Ethyl-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

C12H10N2O (198.079309)


   

8-Ethyl-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

8-Ethyl-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

C12H10N2O (198.079309)


   

METHYL 1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

METHYL 1,3-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE

C8H10N2O4 (198.064054)


   

(6-aminopyridin-3-yl)-phenylmethanone

(6-aminopyridin-3-yl)-phenylmethanone

C12H10N2O (198.079309)


   
   
   

methyl 4-(1-hydroxyiminoethyl)-5-methylisoxazole-3-carboxylate

methyl 4-(1-hydroxyiminoethyl)-5-methylisoxazole-3-carboxylate

C8H10N2O4 (198.064054)


   

2,5-Dimethoxy-4-nitroaniline

2,5-Dimethoxy-4-nitroaniline

C8H10N2O4 (198.064054)


   

2-phenylethyldimethylchlorosilane

2-phenylethyldimethylchlorosilane

C10H15ClSi (198.06315)


   

Octahydropyrrolo[1,2-a]pyrazine dihydrochloride

Octahydropyrrolo[1,2-a]pyrazine dihydrochloride

C7H16Cl2N2 (198.0690476)


   

Pyrido[1,2-a]benzimidazol-1(5H)-one,3-methyl-

Pyrido[1,2-a]benzimidazol-1(5H)-one,3-methyl-

C12H10N2O (198.079309)


   

Methyl 3-(2-amino-5-fluoropyridin-3-yl)propanoate

Methyl 3-(2-amino-5-fluoropyridin-3-yl)propanoate

C9H11FN2O2 (198.08045180000002)


   

1-(2-Chloroethyl)-4-methylpiperazine hydrochloride

1-(2-Chloroethyl)-4-methylpiperazine hydrochloride

C7H16Cl2N2 (198.0690476)


   

5,8-DIAZASPIRO[3.5]NONANE DIHYDROCHLORIDE

5,8-DIAZASPIRO[3.5]NONANE DIHYDROCHLORIDE

C7H16Cl2N2 (198.0690476)


   

1-Azabicyclo[2.2.2]octan-4-amine dihydrochloride

1-Azabicyclo[2.2.2]octan-4-amine dihydrochloride

C7H16Cl2N2 (198.0690476)


   

2-CARBOETHOXY-4-CARBOMETHOXYIMIDAZOLE

2-CARBOETHOXY-4-CARBOMETHOXYIMIDAZOLE

C8H10N2O4 (198.064054)


   

4-[(Chloromethyl)dimethylsilyl]toluene

4-[(Chloromethyl)dimethylsilyl]toluene

C10H15ClSi (198.06315)


   
   

2-AMINO-3-BENZOYLPYRIDINE

2-AMINO-3-BENZOYLPYRIDINE

C12H10N2O (198.079309)


   

3-(3-Fluoro-4-methoxyphenyl)propanoic acid

3-(3-Fluoro-4-methoxyphenyl)propanoic acid

C10H11FO3 (198.06921880000002)


   

N,N-dimethylpent-2-yne-1,5-diamine,dihydrochloride

N,N-dimethylpent-2-yne-1,5-diamine,dihydrochloride

C7H16Cl2N2 (198.0690476)


   

5-METHYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE DIHYDROCHLORIDE

5-METHYL-1H-HEXAHYDROPYRROLO[3,4-B]PYRROLE DIHYDROCHLORIDE

C7H16Cl2N2 (198.0690476)


   

PROPANOIC ACID, 2-(3-FLUOROPHENOXY)-2-METHYL-

PROPANOIC ACID, 2-(3-FLUOROPHENOXY)-2-METHYL-

C10H11FO3 (198.06921880000002)


   

5-pentylthiophene-2-carboxylic acid

5-pentylthiophene-2-carboxylic acid

C10H14O2S (198.0714464)


   

4-HYDROXYBIPHENYL-3-CARBALDEHYDE

4-HYDROXYBIPHENYL-3-CARBALDEHYDE

C13H10O2 (198.06807600000002)


   

1-Methyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester

1-Methyl-4-nitro-1H-pyrrole-2-carboxylic acid ethyl ester

C8H10N2O4 (198.064054)


   

2-(BENZOYLMETHYL)PYRIMIDINE

2-(BENZOYLMETHYL)PYRIMIDINE

C12H10N2O (198.079309)


   

2,5-DIETHOXYTHIOPHENOL

2,5-DIETHOXYTHIOPHENOL

C10H14O2S (198.0714464)


   

4-CHLORO-6-(1-PYRROLIDINYL)-2-PYRIMIDINAMINE

4-CHLORO-6-(1-PYRROLIDINYL)-2-PYRIMIDINAMINE

C8H11ClN4 (198.0672196)


   

5-Acetyl-1,3-dimethylbarbituric

5-Acetyl-1,3-dimethylbarbituric

C8H10N2O4 (198.064054)


   

6-Amino-5-formamido-1,3-dimethyluracil

Formamide,N-(6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)-

C7H10N4O3 (198.075287)


   

5-Hydroxylysine hydrochloride (1:1)

5-Hydroxylysine hydrochloride (1:1)

C6H15ClN2O3 (198.077115)


DL-5-Hydroxylysine hydrochloride is an endogenous metabolite.

   

METHYL (R)-3-(4-FLUOROPHENYL)-2-HYDROXYPROPIONATE

METHYL (R)-3-(4-FLUOROPHENYL)-2-HYDROXYPROPIONATE

C10H11FO3 (198.06921880000002)


   

3-Chloro-6-(1-piperazinyl)pyridazine

3-Chloro-6-(1-piperazinyl)pyridazine

C8H11ClN4 (198.0672196)


   

2-naphthalen-1-yl-malonaldehyde

2-naphthalen-1-yl-malonaldehyde

C13H10O2 (198.06807600000002)


   
   
   

3-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride

3-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride

C7H16Cl2N2 (198.0690476)


   

Methyl 2,4-dimethoxypyrimidine-5-carboxylate

Methyl 2,4-dimethoxypyrimidine-5-carboxylate

C8H10N2O4 (198.064054)


   

2-Chloro-3-(piperazin-1-yl)pyrazine

2-Chloro-3-(piperazin-1-yl)pyrazine

C8H11ClN4 (198.0672196)


   

8-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride

8-methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride

C7H16Cl2N2 (198.0690476)


   

3-Aminoquinuclidine dihydrochloride

3-Aminoquinuclidine dihydrochloride

C7H16Cl2N2 (198.0690476)


   

2-BENZOTRIAZOL-1-YL-ETHYLAMINE HCL

2-BENZOTRIAZOL-1-YL-ETHYLAMINE HCL

C8H11ClN4 (198.0672196)


   

4-(2-Hydroxyethyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran

4-(2-Hydroxyethyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran

C10H14O2S (198.0714464)


   

dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate

dimethyl 3-amino-1H-pyrrole-2,4-dicarboxylate

C8H10N2O4 (198.064054)


   

4-nitro-5-propyl-1H-pyrazole-3-carboxamide

4-nitro-5-propyl-1H-pyrazole-3-carboxamide

C7H10N4O3 (198.075287)


   

magnesium dibutyrate

magnesium dibutyrate

C8H14MgO4 (198.0742544)


   

1,4-DIMETHOXY-2-ETHYLTHIOBENZENE

1,4-DIMETHOXY-2-ETHYLTHIOBENZENE

C10H14O2S (198.0714464)


   
   

2-(4,5-Dihydro-2-oxazolyl)quinoline 97

2-(4,5-Dihydro-2-oxazolyl)quinoline 97

C12H10N2O (198.079309)


   

N-[(4-Fluorophenyl)methyl]carbamimidothioic acid methyl ester

N-[(4-Fluorophenyl)methyl]carbamimidothioic acid methyl ester

C9H11FN2S (198.0626938)


   

(3-AMINOPYRIDIN-4-YL)(PHENYL)METHANONE

(3-AMINOPYRIDIN-4-YL)(PHENYL)METHANONE

C12H10N2O (198.079309)


   

2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate

2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl acetate

C8H10N2O4 (198.064054)


   

Pyrido[1,2-a]benzimidazol-8-ol, 1-methyl- (9CI)

Pyrido[1,2-a]benzimidazol-8-ol, 1-methyl- (9CI)

C12H10N2O (198.079309)


   

2-(2-FLUORO-PHENOXYMETHYL)-[1,3]DIOXOLANE

2-(2-FLUORO-PHENOXYMETHYL)-[1,3]DIOXOLANE

C10H11FO3 (198.06921880000002)


   

o-Phenanthroline monohydrate

o-Phenanthroline monohydrate

C12H10N2O (198.079309)


   

Phosphonous acid,P-phenyl-, diethyl ester

Phosphonous acid,P-phenyl-, diethyl ester

C10H15O2P (198.080962)


   

3-(3-METHOXYPHENYL)PROPAN-1-AMINE

3-(3-METHOXYPHENYL)PROPAN-1-AMINE

C8H10N2O4 (198.064054)


   

(4-thiophen-2-yloxan-4-yl)methanol

(4-thiophen-2-yloxan-4-yl)methanol

C10H14O2S (198.0714464)


   

(4-AMINOPHENYL)(1-METHYL-1H-IMIDAZOL-2-YL)METHANONE

(4-AMINOPHENYL)(1-METHYL-1H-IMIDAZOL-2-YL)METHANONE

C12H10N2O (198.079309)


   

(S)-3-Aminoquinuclidine Dihydrochloride

(S)-3-Aminoquinuclidine Dihydrochloride

C7H16Cl2N2 (198.0690476)


   

6-Ethyl-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

6-Ethyl-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

C12H10N2O (198.079309)


   
   
   

3-(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)PROPANOIC ACID

3-(6-METHYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)PROPANOIC ACID

C8H10N2O4 (198.064054)


   

N-PHENYLPICOLINAMIDE

N-PHENYLPICOLINAMIDE

C12H10N2O (198.079309)


   

3-(3-FORMYL-1H-INDOL-1-YL)PROPANENITRILE

3-(3-FORMYL-1H-INDOL-1-YL)PROPANENITRILE

C12H10N2O (198.079309)


   

2-Propyl-1H-imidazole-4,5-dicarboxylic acid

2-Propyl-1H-imidazole-4,5-dicarboxylic acid

C8H10N2O4 (198.064054)


   

2-(3-FLUORO-PHENOXYMETHYL)-[1,3]DIOXOLANE

2-(3-FLUORO-PHENOXYMETHYL)-[1,3]DIOXOLANE

C10H11FO3 (198.06921880000002)


   
   

2-Fluoro-4-isopropoxybenzoic acid

2-Fluoro-4-isopropoxybenzoic acid

C10H11FO3 (198.06921880000002)


   
   
   
   

Benzene,1-(4-chlorobutoxy)-4-methyl-

Benzene,1-(4-chlorobutoxy)-4-methyl-

C11H15ClO (198.08113699999998)


   

5-Fluoro-2-methoxybenzenepropanoic acid

5-Fluoro-2-methoxybenzenepropanoic acid

C10H11FO3 (198.06921880000002)


   

3-Fluoro-2-hydroxypropyl=benzoate

3-Fluoro-2-hydroxypropyl=benzoate

C10H11FO3 (198.06921880000002)


   
   

2-(2,4-dioxopyrimidin-1-yl)ethyl acetate

2-(2,4-dioxopyrimidin-1-yl)ethyl acetate

C8H10N2O4 (198.064054)


   

2-(4-FLUOROPHENOXY)PROPANOHYDRAZIDE

2-(4-FLUOROPHENOXY)PROPANOHYDRAZIDE

C9H11FN2O2 (198.08045180000002)


   

2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)-

2-Propen-1-one,1-(1H-imidazol-1-yl)-3-phenyl-, (2E)-

C12H10N2O (198.079309)


   

3-(CYANOACETYL)-2-METHYLINDOLE

3-(CYANOACETYL)-2-METHYLINDOLE

C12H10N2O (198.079309)


   

3-(Cyanoacetyl)-1-methylindole

3-(Cyanoacetyl)-1-methylindole

C12H10N2O (198.079309)


   

PYRIMIDINE, 5-CHLORO-2-(1-PIPERAZINYL)-

PYRIMIDINE, 5-CHLORO-2-(1-PIPERAZINYL)-

C8H11ClN4 (198.0672196)


   

2-Chloro-4-(piperazin-1-yl)pyrimidine

2-Chloro-4-(piperazin-1-yl)pyrimidine

C8H11ClN4 (198.0672196)


   

Tricyclo[4.4.0.03,8]decane-1-carbonyl chloride (9CI)

Tricyclo[4.4.0.03,8]decane-1-carbonyl chloride (9CI)

C11H15ClO (198.08113699999998)


   

(1S,4S,6S,9S)-4-Methyltricyclo[4.3.0.01,4]nonane-9-carbonyl chloride

(1S,4S,6S,9S)-4-Methyltricyclo[4.3.0.01,4]nonane-9-carbonyl chloride

C11H15ClO (198.08113699999998)


   

(1R,4S,6S,9R)-4-Methyltricyclo[4.3.0.01,4]nonane-9-carbonyl chloride

(1R,4S,6S,9R)-4-Methyltricyclo[4.3.0.01,4]nonane-9-carbonyl chloride

C11H15ClO (198.08113699999998)


   

2-(4-FLUORO-PHENOXYMETHYL)-[1,3]DIOXOLANE

2-(4-FLUORO-PHENOXYMETHYL)-[1,3]DIOXOLANE

C10H11FO3 (198.06921880000002)


   

4-Methyl-2,2-bipyridine-4-carbaldehyde

2-(4-Methylpyridin-2-yl)pyridine-4-carbaldehyde

C12H10N2O (198.079309)


   

ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate

ethyl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate

C8H10N2O4 (198.064054)


   

3-(2-Fluoro-4-methoxyphenyl)propanoic acid

3-(2-Fluoro-4-methoxyphenyl)propanoic acid

C10H11FO3 (198.06921880000002)


   

3-HYDROXYMETHYL-BETA-CARBOLINE

3-HYDROXYMETHYL-BETA-CARBOLINE

C12H10N2O (198.079309)


   

(R)-(+)-3-Aminoquinuclidine 2HCl

(R)-(+)-3-Aminoquinuclidine 2HCl

C7H16Cl2N2 (198.0690476)


   
   

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

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

C12H10N2O (198.079309)


   

1-(Hydroxymethyl)-β-carboline

1-(Hydroxymethyl)-β-carboline

C12H10N2O (198.079309)


   

N-METHYL-L-ISOLEUCINEHYDROCHLORIDE

N-METHYL-L-ISOLEUCINEHYDROCHLORIDE

C7H16Cl2N2 (198.0690476)


   

1,2-Dihydro-5-acenaphthylenecarboxylic acid

1,2-Dihydro-5-acenaphthylenecarboxylic acid

C13H10O2 (198.06807600000002)


   

6-(PIPERAZIN-1-YL)-4-CHLOROPYRIMIDINE

6-(PIPERAZIN-1-YL)-4-CHLOROPYRIMIDINE

C8H11ClN4 (198.0672196)


   

4-METHYL-2-PHENYL-5-PYRIMIDINECARBALDEHYDE

4-METHYL-2-PHENYL-5-PYRIMIDINECARBALDEHYDE

C12H10N2O (198.079309)


   

1,3,5-TRIMETHYL-PYRAZOLE-3,5-DICARBOXYLATE

1,3,5-TRIMETHYL-PYRAZOLE-3,5-DICARBOXYLATE

C8H10N2O4 (198.064054)


   

2-AMINO-5-P-TOLYL-FURAN-3-CARBONITRILE

2-AMINO-5-P-TOLYL-FURAN-3-CARBONITRILE

C12H10N2O (198.079309)


   
   

cis-1-Methylhexahydropyrrolo[3,4-b]pyrrole

cis-1-Methylhexahydropyrrolo[3,4-b]pyrrole

C7H16Cl2N2 (198.0690476)


   

1,7-diazaspiro[4.4]nonane dihydrochloride

1,7-diazaspiro[4.4]nonane dihydrochloride

C7H16Cl2N2 (198.0690476)


   

Benzene,1-methyl-4-(propylsulfonyl)-

Benzene,1-methyl-4-(propylsulfonyl)-

C10H14O2S (198.0714464)


   

2-Propen-1-one,3-(2-furanyl)-1-phenyl-

2-Propen-1-one,3-(2-furanyl)-1-phenyl-

C13H10O2 (198.06807600000002)


   

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

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

C12H10N2O (198.079309)


   

2-FLUORO-4-METHOXYBENZOIC ACID ETHYL ESTER

2-FLUORO-4-METHOXYBENZOIC ACID ETHYL ESTER

C10H11FO3 (198.06921880000002)


   

2-(2-methoxy-ethoxy)-5-nitro-pyridine

2-(2-methoxy-ethoxy)-5-nitro-pyridine

C8H10N2O4 (198.064054)


   

Phenyl 2-pyridyl ketoxime

Phenyl 2-pyridyl ketoxime

C12H10N2O (198.079309)


   

4-((2-Hydroxyethyl)amino)-3-nitrophenol

4-((2-Hydroxyethyl)amino)-3-nitrophenol

C8H10N2O4 (198.064054)


   

4-Chloro-6-pyrrolidin-1-yl-pyrimidin-5-ylamine

4-Chloro-6-pyrrolidin-1-yl-pyrimidin-5-ylamine

C8H11ClN4 (198.0672196)


   

1H-Pyrazole-3,5-dicarboxylicacid,1-methyl-,5-ethylester(9CI)

1H-Pyrazole-3,5-dicarboxylicacid,1-methyl-,5-ethylester(9CI)

C8H10N2O4 (198.064054)


   

5,6-Difluoro-2-Hydrazino-1-Methyl-1H-Benzimidazole

5,6-Difluoro-2-Hydrazino-1-Methyl-1H-Benzimidazole

C8H8F2N4 (198.07169919999998)


   

2-(chloromethyl)-5-methoxy-1,3,4-trimethylbenzene

2-(chloromethyl)-5-methoxy-1,3,4-trimethylbenzene

C11H15ClO (198.08113699999998)


   

4-Pyrimidinecarboxylic acid, 2,6-dimethoxy-, methyl ester

4-Pyrimidinecarboxylic acid, 2,6-dimethoxy-, methyl ester

C8H10N2O4 (198.064054)


   

3-(2-METHOXY-ETHOXY)-BENZYLAMINE

3-(2-METHOXY-ETHOXY)-BENZYLAMINE

C8H8F2N4 (198.07169919999998)


   

(3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole,dihydrochloride

(3aS,6aS)-1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole,dihydrochloride

C7H16Cl2N2 (198.0690476)


   

2-HYDROXY-[1,1-BIPHENYL]-4-CARBALDEHYDE

2-HYDROXY-[1,1-BIPHENYL]-4-CARBALDEHYDE

C13H10O2 (198.06807600000002)


   

6-Phenylpyridine-2-carboxamid

6-Phenylpyridine-2-carboxamid

C12H10N2O (198.079309)


   

1H-1,2,4-Triazole-3-carboxylicacid,5-[(1-oxopropyl)amino]-,methylester(9CI)

1H-1,2,4-Triazole-3-carboxylicacid,5-[(1-oxopropyl)amino]-,methylester(9CI)

C7H10N4O3 (198.075287)


   

4-(4-methylpyrimidin-2-yl)benzaldehyde

4-(4-methylpyrimidin-2-yl)benzaldehyde

C12H10N2O (198.079309)


   

2-(chloromethyl)-1-methoxy-4-propan-2-ylbenzene

2-(chloromethyl)-1-methoxy-4-propan-2-ylbenzene

C11H15ClO (198.08113699999998)


   

2-FLUORO-4-N-PROPYLOXYBENZOIC ACID

2-FLUORO-4-N-PROPYLOXYBENZOIC ACID

C10H11FO3 (198.06921880000002)


   

1,4-diacetylpiperazine-2,5-dione

1,4-diacetylpiperazine-2,5-dione

C8H10N2O4 (198.064054)


   
   

ETHYL 2-(2,3-DIOXO-3,4-DIHYDROPYRAZIN-1(2H)-YL)ACETATE

ETHYL 2-(2,3-DIOXO-3,4-DIHYDROPYRAZIN-1(2H)-YL)ACETATE

C8H10N2O4 (198.064054)


   

(2E)-3-(1-Naphthyl)acrylic acid

(2E)-3-(1-Naphthyl)acrylic acid

C13H10O2 (198.06807600000002)


   

1-PHENYL-2-(4-PYRIMIDINYL)-ETHANONE

1-PHENYL-2-(4-PYRIMIDINYL)-ETHANONE

C12H10N2O (198.079309)


   

2-[1-(3-methoxyphenyl)ethylidene]propanedinitrile

2-[1-(3-methoxyphenyl)ethylidene]propanedinitrile

C12H10N2O (198.079309)


   

PROPANOIC ACID, 2-(4-FLUOROPHENOXY)-2-METHYL-

PROPANOIC ACID, 2-(4-FLUOROPHENOXY)-2-METHYL-

C10H11FO3 (198.06921880000002)


   

2-Amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid

2-Amino-3-(3-hydroxy-4-oxopyridin-1-yl)propanoic acid

C8H10N2O4 (198.064054)


   

4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid

4-(ethoxycarbonyl)-1-methyl-1H-pyrazole-5-carboxylic acid

C8H10N2O4 (198.064054)


   

1,2-Benzenediol, 4-(2-aminoethyl)-5-nitro-

1,2-Benzenediol, 4-(2-aminoethyl)-5-nitro-

C8H10N2O4 (198.064054)


   
   

Chloro(methyl)phenyl(propan-2-yl)silane

Chloro(methyl)phenyl(propan-2-yl)silane

C10H15ClSi (198.06315)


   

Theophylline monohydrate

Theophylline monohydrate

C7H10N4O3 (198.075287)


D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents

   

Toldimfos

Toldimfos

C9H13NO2P+ (198.0683868)


C78276 - Agent Affecting Digestive System or Metabolism

   

3-(Dihydroxymethyl)pentane-1,1,3,5,5-pentol

3-(Dihydroxymethyl)pentane-1,1,3,5,5-pentol

C6H14O7 (198.0739494)


   

(2S)-2-azaniumyl-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoate

(2S)-2-azaniumyl-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoate

C8H10N2O4 (198.064054)


   

4-(2-(2-Pyrazinyl)vinyl)phenol

4-(2-(2-Pyrazinyl)vinyl)phenol

C12H10N2O (198.079309)


   

Dimethyluric acid

Dimethyluric acid

C7H10N4O3 (198.075287)


   

ammonium (2S)-2-amino-4-(methylphosphinato)butyric acid

ammonium (2S)-2-amino-4-(methylphosphinato)butyric acid

C5H15N2O4P (198.07693999999998)


   

1-[(S)-1-Carboxyethyl]-2-(hydroxymethyl)-5-hydroxypyridinium

1-[(S)-1-Carboxyethyl]-2-(hydroxymethyl)-5-hydroxypyridinium

C9H12NO4+ (198.07662919999999)


   

3-Trimethylsilyloxy-2-methylpyran-4-one

3-Trimethylsilyloxy-2-methylpyran-4-one

C9H14O3Si (198.07121740000002)


   

Furan-2-carboxylic acid, 3-methyl-, trimethylsilyl ester

Furan-2-carboxylic acid, 3-methyl-, trimethylsilyl ester

C9H14O3Si (198.07121740000002)


   

Chloro(p-tolyl)(ethyl)(methyl)silane

Chloro(p-tolyl)(ethyl)(methyl)silane

C10H15ClSi (198.06315)


   

4-Nitroso-N-phenylaniline

Benzenamine,4-nitroso-N-phenyl-

C12H10N2O (198.079309)


   
   
   

2-Chloro-6-(1-piperazinyl)pyrazine

2-Chloro-6-(1-piperazinyl)pyrazine

C8H11ClN4 (198.0672196)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists

   

clavaminic acid zwitterion

clavaminic acid zwitterion

C8H10N2O4 (198.064054)


Zwitterionic form of clavaminic acid.

   

N-NITROSODIPHENYLAMINE

N-NITROSO-DIPHENYLAMINE

C12H10N2O (198.079309)


D009676 - Noxae > D002273 - Carcinogens

   
   

AAMU

N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide

C7H10N4O3 (198.075287)


   

4-furfurylthio-2-Pentanone

4-furfuryl thio-2-pentanone

C10H14O2S (198.0714464)


   

6-amino-5[N-methylformylamino]-1-methyluracil

6-amino-5[N-methylformylamino]-1-methyluracil

C7H10N4O3 (198.075287)


   

L-mimosine zwitterion

L-mimosine zwitterion

C8H10N2O4 (198.064054)


An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of L-mimosine; major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

4-(2-Pyrazinylethenyl)phenol

4-(2-(2-Pyrazinyl)vinyl)phenol

C12H10N2O (198.079309)


   

1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one

1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one

C12H10N2O (198.079309)


   
   
   

Acetylaminoaminomethyluracil

Acetylaminoaminomethyluracil

C7H10N4O3 (198.075287)


   

(5r,7z)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene

(5r,7z)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene

C13H10O2 (198.06807600000002)


   

3-(2-methyl-1,3-oxazol-5-yl)-1h-indole

3-(2-methyl-1,3-oxazol-5-yl)-1h-indole

C12H10N2O (198.079309)


   

6-[(1z)-2-phenylethenyl]pyran-2-one

6-[(1z)-2-phenylethenyl]pyran-2-one

C13H10O2 (198.06807600000002)


   

7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene

NA

C13H10O2 (198.06807600000002)


{"Ingredient_id": "HBIN012885","Ingredient_name": "7-(2,4-hexadiynylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene","Alias": "NA","Ingredient_formula": "C13H10O2","Ingredient_Smile": "CC#CC#CC=C1C=CC2(O1)CC=CO2","Ingredient_weight": "198.22","OB_score": "NA","CAS_id": "56319-19-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7513","PubChem_id": "5375536","DrugBank_id": "NA"}

   

annuadiepoxide

NA

C13H10O2 (198.06807600000002)


{"Ingredient_id": "HBIN016241","Ingredient_name": "annuadiepoxide","Alias": "NA","Ingredient_formula": "C13H10O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1334","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

6-[(1e)-2-phenylethenyl]pyran-2-one

6-[(1e)-2-phenylethenyl]pyran-2-one

C13H10O2 (198.06807600000002)


   

2-amino-3,4-dihydroxy-5-methoxybenzenecarboximidic acid

2-amino-3,4-dihydroxy-5-methoxybenzenecarboximidic acid

C8H10N2O4 (198.064054)


   

(2e,8z)-9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol

(2e,8z)-9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol

C13H10O2 (198.06807600000002)


   
   

(7e)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene

(7e)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene

C13H10O2 (198.06807600000002)


   

(2s,3z)-3-(2-aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

(2s,3z)-3-(2-aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C8H10N2O4 (198.064054)


   

tridec-11-en-3,5,7,9-tetrayne-1,2-diol

tridec-11-en-3,5,7,9-tetrayne-1,2-diol

C13H10O2 (198.06807600000002)


   

4-(2-amino-2-carboxyethyl)-1h-pyrrole-2-carboxylic acid

4-(2-amino-2-carboxyethyl)-1h-pyrrole-2-carboxylic acid

C8H10N2O4 (198.064054)


   

2-[(1e,7e)-8-methoxyocta-1,7-dien-3,5-diyn-1-yl]furan

2-[(1e,7e)-8-methoxyocta-1,7-dien-3,5-diyn-1-yl]furan

C13H10O2 (198.06807600000002)


   

2-(8-methoxyocta-1,7-dien-3,5-diyn-1-yl)furan

2-(8-methoxyocta-1,7-dien-3,5-diyn-1-yl)furan

C13H10O2 (198.06807600000002)


   

9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol

9-(furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol

C13H10O2 (198.06807600000002)


   

7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene

7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene

C13H10O2 (198.06807600000002)


   

2-methylpyrido[3,4-b]indol-8-ol

2-methylpyrido[3,4-b]indol-8-ol

C12H10N2O (198.079309)


   

3-(2-aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

3-(2-aminoethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

C8H10N2O4 (198.064054)


   

(5r,7e)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene

(5r,7e)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-diene

C13H10O2 (198.06807600000002)


   

(4-carboxy-4-hydroxycyclohexa-1,5-dien-1-yl)imino(methyl)imine oxide

(4-carboxy-4-hydroxycyclohexa-1,5-dien-1-yl)imino(methyl)imine oxide

C8H10N2O4 (198.064054)


   

3-methyl-1h-pyrazolo[1,5-b]isoquinolin-9-one

3-methyl-1h-pyrazolo[1,5-b]isoquinolin-9-one

C12H10N2O (198.079309)


   

1-(2-methoxyphenyl)hexa-2,4-diyn-1-one

1-(2-methoxyphenyl)hexa-2,4-diyn-1-one

C13H10O2 (198.06807600000002)


   

4-[(2s)-2-amino-2-carboxyethyl]-1h-pyrrole-2-carboxylic acid

4-[(2s)-2-amino-2-carboxyethyl]-1h-pyrrole-2-carboxylic acid

C8H10N2O4 (198.064054)