Exact Mass: 119.0443

1,2-Diacylglycerol-LD-PI-pool

Phenyl isocyanate, 14C-labeled CPD

1,2-Diacylglycerol-LD-PI-pool, also known as PI or Carba0, is classified as a benzene or a Benzene derivative. Benzenes are aromatic compounds containing one monocyclic ring system consisting of benzene. 1,2-Diacylglycerol-LD-PI-pool is considered to be practically insoluble (in water) and basic. 1,2-Diacylglycerol-LD-PI-pool is a non-carcinogenic (not listed by IARC) potentially toxic compound

1,2-Benzisoxazole

1-Oxa-2-aza-1H-indene

1H-Benzotriazole

1,2,3-Triaza-1H-indene

1H-Pyrazolo[4,3-b]pyridine

2-Mercaptoethylguanidine

2-Mercaptoethylguanidine, sulfate(2:1) salt

D004791 - Enzyme Inhibitors

1-(2-Aminoethyl)thiourea

4-Azabenzimidazole

3H-Imidazo[4,5-b]pyridine

5H-Pyrrolo[2,3-b]pyrazine

5H-Pyrrolo[3,2-d]pyrimidine

2-Aminoethyl carbamimidothioate

Carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide

D020011 - Protective Agents > D011837 - Radiation-Protective Agents

Benzoxazole

1-Oxa-3-aza-1H-indene

Benzoxazole, also known as 1-oxa-3-aza-1h-indene, is a member of the class of compounds known as benzoxazoles. Benzoxazoles are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Benzoxazole is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Benzoxazole can be found in tea, which makes benzoxazole a potential biomarker for the consumption of this food product. Being a heterocyclic compound, benzoxazole finds use in research as a starting material for the synthesis of larger, usually bioactive structures. Its aromaticity makes it relatively stable, although as a heterocycle, it has reactive sites which allow for functionalization .

Furo[3,2-b]pyridine

Imidazo[1,2-b]pyridazine

N-Acetylcysteamine

Thiol N-acetyl-beta-mercaptoethylamine

C4H9NOS (119.0405)

Phenacyl

2-oxo-2-phenylethyl

C8H7O (119.0497)

Pyrazolo[1,5-a]pyrimidine

pyrazolo(1,5-a)pyrimidine

(2S)-2-Amino-4-sulfanylbutanal

(2S)-2-Amino-4-sulphanylbutanal

C4H9NOS (119.0405)

3-dimethylsulfoniopropionaldehyde

3-Dimethylsulphoniopropionaldehyde

C5H11OS (119.0531)

3-dimethylsulfoniopropionaldehyde, also known as dmsp-aldehyde, is a member of the class of compounds known as alpha-hydrogen aldehydes. Alpha-hydrogen aldehydes are aldehydes with the general formula HC(H)(R)C(=O)H, where R is an organyl group. 3-dimethylsulfoniopropionaldehyde is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 3-dimethylsulfoniopropionaldehyde can be found in a number of food items such as chinese chestnut, welsh onion, dandelion, and parsnip, which makes 3-dimethylsulfoniopropionaldehyde a potential biomarker for the consumption of these food products.

1H-Benzotriazole

1,2,3-BENZOTRIAZOLE

CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2978; ORIGINAL_PRECURSOR_SCAN_NO 2976 CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2990; ORIGINAL_PRECURSOR_SCAN_NO 2988 CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2960; ORIGINAL_PRECURSOR_SCAN_NO 2958 CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2969; ORIGINAL_PRECURSOR_SCAN_NO 2967 CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6248; ORIGINAL_PRECURSOR_SCAN_NO 6246 ORIGINAL_ACQUISITION_NO 6248; ORIGINAL_PRECURSOR_SCAN_NO 6246; CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0 CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6290; ORIGINAL_PRECURSOR_SCAN_NO 6288 CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6292; ORIGINAL_PRECURSOR_SCAN_NO 6290 CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6308; ORIGINAL_PRECURSOR_SCAN_NO 6305 CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6318; ORIGINAL_PRECURSOR_SCAN_NO 6317 CONFIDENCE standard compound; INTERNAL_ID 634; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6317; ORIGINAL_PRECURSOR_SCAN_NO 6314 CONFIDENCE standard compound; INTERNAL_ID 2414 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1078 CONFIDENCE standard compound; INTERNAL_ID 4050 CONFIDENCE standard compound; INTERNAL_ID 4177 CONFIDENCE standard compound; INTERNAL_ID 8197 CONFIDENCE standard compound; EAWAG_UCHEM_ID 166

Anthranil

2,1-benzoxazole

3-dimethylsulfoniopropionaldehyde

C5H11OS+ (119.0531)

A sulfonium compound that is dimethysulfonium with a 3-oxopropyl substituent.

Benzotriazole

1H-Benzotriazole

CONFIDENCE standard compound; INTERNAL_ID 2 CONFIDENCE standard compound; INTERNAL_ID 8799 CONFIDENCE Reference Standard (Level 1)

2-Cyanophenol

2-Hydroxybenzonitrile

CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3284; ORIGINAL_PRECURSOR_SCAN_NO 3282 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3274; ORIGINAL_PRECURSOR_SCAN_NO 3272 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3283; ORIGINAL_PRECURSOR_SCAN_NO 3280 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3277; ORIGINAL_PRECURSOR_SCAN_NO 3275 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3357; ORIGINAL_PRECURSOR_SCAN_NO 3354 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3289; ORIGINAL_PRECURSOR_SCAN_NO 3285 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7848; ORIGINAL_PRECURSOR_SCAN_NO 7844 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7866; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7894; ORIGINAL_PRECURSOR_SCAN_NO 7891 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7891; ORIGINAL_PRECURSOR_SCAN_NO 7889 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7872; ORIGINAL_PRECURSOR_SCAN_NO 7870 CONFIDENCE standard compound; INTERNAL_ID 285; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7895; ORIGINAL_PRECURSOR_SCAN_NO 7890

MEG (sulfate)

(2-mercaptoethyl)-guanidine sulfate

NSC 22877

2-aminoethyl carbamimidothioate, dihydrobromide

Imidazo[1,5-a]pyrimidine

4-methylpyrimidine-2-carbonitrile

7H-Pyrrolo[2,3-d]pyrimidine

1-Amino-3-Cyclopentene Hydrochloride

Imidazo[1,2-b]pyridazine

Imidazo[1,2-b]pyridazine, methanone deriv

2-(1-CHLORO-ETHYL)-FURAN

2-Pyrimidinamine, 5-ethynyl- (9CI)

2(1H)-Pyridinone,3-ethynyl-(9CI)

2-Chloropiperidine

Hydrazinecarbothioamide, N,N-dimethyl-

4H-Imidazo[4,5-c]pyridine

Hydrazinecarbothioamide,N,1-dimethyl-

Furo[3,2-c]pyridine

3-Amino-4-cyanopyridine

phenyl cyanate

Benzene, azido-

1-(2H3)Methyl-1,2-dihydro-5H-tetrazole-5-thione

C2HD3N4S (119.0345)

2-(PYRIMIDIN-4-YL)ACETONITRILE

5-Aminonicotinonitrile

4-Aminonicotinonitrile

1H-PYRROLO[3,2-D]PYRIDAZINE

Hydrazinecarboximidamide,N-nitro-

CH5N5O2 (119.0443)

pyrazolo(1,5-a)pyrimidine

Furo[2,3-b]pyridine

3-Cyanophenol

3-Ethynylpyrazin-2-amine

4-aminopicolinonitrile

6-Methylpyridazine-3-carbonitrile

2H-PYRAZOLO[4,3-C]PYRIDINE

2-(Cyanoamino)pyridine

4,5-dihydro-1H-pyrazolo[4,3-b]pyridine

5-Ethynyl-2-pyrazinamine

3H-pyrazolo[4,3-b]pyridine

1H-Pyrazolo[3,4-c]pyridine

5-Methyl-2-pyrazinecarbonitrile

3-methylpyrazine-2-carbonitrile

6-methylpyrazine-2-carbonitrile

2-Amino-5-cyanopyridine

5-Pyrimidinecarbonitrile, 2-methyl- (7CI,8CI,9CI)

2-Amino-6-cyanopyridine

[1,2,4]Triazolo[1,5-a]pyridine

3H-Imidazo[4,5-c]pyridine

2-(PYRAZIN-2-YL)ACETONITRILE

4-Hydroxybenzonitrile

Imidazo[1,5-a]pyrazine

CYCLOPENTA[C]PYRROL-4(1H)-ONE

PYRROLIDINE-2-CARBALDEHYDE

7H-Pyrrolo[2,3-c]pyridazine

Furo[2,3-c]pyridine

5H-Pyrrolo[3,2-c]pyridazine

2-ethynylpyridin-3-ol

Cyclopentanamine, 2-chloro-

(E)-2-NITROETHENYLBENZENE

4-ethynylpyrimidin-2-amine

Imidazo[1,2-a]pyrazine

3-Azabicyclo[3.1.0]hexane hydrochloride (1:1)

2-Furanacrylonitrile

2-methylpyrimidine-4-carbonitrile

6-ethynyl-1H-pyridin-2-one

(S)-2-(CHLOROMETHYL)PYRROLIDINE

2-aminonicotinonitrile

Pyridine,1,2,3,6-tetrahydro-, hydrochloride (1:1)

Hydrazinecarbothioamide,N-ethyl-

1h-pyrazolo[3,4-b]pyridine

5-ETHYNYLPYRIDIN-2-OL

4-Pyrimidinecarbonitrile, 5-methyl- (9CI)

4-Chloropiperidine

3-(chloromethyl)pyrrolidine

6-Aminonicotinonitrile

3-Amino-2-cyanopyridine

[1,2,3]Triazolo[1,5-a]pyridine

1H-Pyrazolo[4,3-c]pyridine

7-DEAZAPURINE

2-Pyrimidinylacetonitrile

3-Amino-6-cyanopyridine

Bicyclo[1.1.1]Pentan-1-Amine Hydrochloride

1,3a,7-triazaindene

1,2,3-Propanetricarbonitrile

1,2-diazaindolizine

5-methylpyrimidine-2-carbonitrile

Benzonitrile oxide

U-6233

InChI=1\C6H5N3\c1-2-4-6-5(3-1)7-9-8-6\h1-4H,(H,7,8,9

Phenylisocyanate

O2-4alpha-cyclic-tetrahydrobiopterin