Exact Mass: 164.095

CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6669; ORIGINAL_PRECURSOR_SCAN_NO 6668 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6668; ORIGINAL_PRECURSOR_SCAN_NO 6667 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6608; ORIGINAL_PRECURSOR_SCAN_NO 6607 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6673; ORIGINAL_PRECURSOR_SCAN_NO 6671 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6615 CONFIDENCE standard compound; INTERNAL_ID 1163; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6614 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3111 CONFIDENCE standard compound; INTERNAL_ID 4045 CONFIDENCE standard compound; INTERNAL_ID 8425 CONFIDENCE standard compound; INTERNAL_ID 2611

m-PEG3-OH

TRIETHYLENE GLYCOL MONOMETHYL ETHER

A hydroxypolyether that is the monomethyl ether derivative of triethylene glycol. Metabolite observed in cancer metabolism. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5

Triethylene Glycol Monomethyl Ether

2-[2-(2-methoxyethoxy)ethoxy]ethan-1-ol

Triethylene Glycol Monomethyl Ether, also known as 3,6,9-Trioxa-1-decanol or Methoxytriethylene glycol, is classified as a member of the Polyethylene glycols. Polyethylene glycols are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). Triethylene Glycol Monomethyl Ether is considered to be soluble (in water) and relatively neutral

Kynuramine

3-amino-1-(2-aminophenyl)propan-1-one

Kynuramines are endogenously occurring diamines derived from tryptophan. [HMDB] Kynuramines are endogenously occurring diamines derived from tryptophan.

2-(1,2-Diamino-1-propenyl)phenol

2-[(1Z)-1,2-diaminoprop-1-en-1-yl]phenol

2-(1,2-Diamino-1-propenyl)phenol is found in crustaceans. 2-(1,2-Diamino-1-propenyl)phenol is present in shrimp shell (Pandalus jordani) waste. Antioxidan Present in shrimp shell (Pandalus jordani) waste. Antioxidant. 2-(1,2-Diamino-1-propenyl)phenol is found in crustaceans.

1,1,3,3-Tetramethoxypropane

propane, 1,1,3,3-tetramethoxy-

5-Fluoromethylornithine

2,5-diamino-6-fluorohexanoic acid

C6H13FN2O2 (164.0961)

4-Morpholinopyridine

4-(pyridin-4-yl)morpholine

(S)-3-(Azetidin-2-ylmethoxy)pyridine

Phenylalanine amide

Phenylalanine amide hydrochloride

Tetra-methoxypropane

1,1,1,2-tetramethoxypropane

Piperidines

3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-ium

C6H14NO4+ (164.0923)

Piperidines is soluble (in water) and a very weakly acidic compound (based on its pKa). Piperidines can be found in pomegranate, which makes piperidines a potential biomarker for the consumption of this food product. Piperidines is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene bridges (‚ÄìCH2‚Äì) and one amine bridge (‚ÄìNH‚Äì). It is a colorless Liquid with an odor described as objectionable, and typical of amines. the name comes from the genus name Piper, which is the Latin word for pepper. Although piperidine is a common organic compound, it is best known as a representative structure element within many pharmaceuticals and alkaloids . Piperidines is soluble (in water) and a very weakly acidic compound (based on its pKa). Piperidines can be found in pomegranate, which makes piperidines a potential biomarker for the consumption of this food product. Piperidines is an organic compound with the molecular formula (CH2)5NH. This heterocyclic amine consists of a six-membered ring containing five methylene bridges (–CH2–) and one amine bridge (–NH–). It is a colorless liquid with an odor described as objectionable, and typical of amines. the name comes from the genus name Piper, which is the Latin word for pepper. Although piperidine is a common organic compound, it is best known as a representative structure element within many pharmaceuticals and alkaloids .

Kynuramine

3-amino-1-(2-aminophenyl)propan-1-one

A member of the class of kynurenamines that is aniline substituted at position 2 by a 3-aminopropanoyl group.

N,N-Dimethyl-N-phenylurea

Pesticide3_Fenuron_C9H12N2O_Urea, N,N-dimethyl-N-phenyl-

N-(3-Aminophenyl)propanamide

N-(3-Aminophenyl)propionamide

CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6606; ORIGINAL_PRECURSOR_SCAN_NO 6604 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6616; ORIGINAL_PRECURSOR_SCAN_NO 6614 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6633; ORIGINAL_PRECURSOR_SCAN_NO 6631 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6669; ORIGINAL_PRECURSOR_SCAN_NO 6668 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6673; ORIGINAL_PRECURSOR_SCAN_NO 6671 CONFIDENCE standard compound; INTERNAL_ID 1375; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6668; ORIGINAL_PRECURSOR_SCAN_NO 6667

Isonicotinamide, 2-propyl-

Poloxalene

2-(1,2-Diamino-1-propenyl)phenol

2-[(1Z)-1,2-diaminoprop-1-en-1-yl]phenol

2-Methyl-3,4-dihydro-2H-benzo[1,4]oxazin-8-ylamine

Urea,N-ethyl-N-phenyl-

Propanoic acid,2-phenylhydrazide

Benzene, 1-fluoro-4-(1E)-1-pentenyl- (9CI)

C11H13F (164.1001)

N-(4-Aminophenyl)propanamide

4-ACETAMIDOBENZYLAMINE

PHENETHYLUREA

1-(PYRAZIN-2-YL)PENTAN-1-ONE

2-PYRIDIN-4-YL-ACETIMIDIC ACID ETHYL ESTER

2-(3-aminophenyl)-N-methylacetamide(SALTDATA: FREE)

2,4-Dimethylbenzohydrazide

N-(3-amino-2-methylphenyl)acetamide

Benzenemethanamine,N,2-dimethyl-N-nitroso-

N-CYCLOPROPYL-1-METHYL-1H-PYRROLE-2-CARBOXAMIDE

3-pyridin-4-ylmorpholine

n-(4-amino-benzyl)-acetamide

3,5-Dimethylbenzohydrazide

2,3,4,5-Tetrahydro-1H-benzo[e][1,4]diazepin-7-ol

2-PYRIDIN-2-YL-ACETIMIDIC ACID ETHYL ESTER

(2,4,5-TRIMETHYLPHENYL)BORONIC ACID

(R)(+)-α-Phenethylurea

2-ETHYL-N-HYDROXY-BENZAMIDINE

3-phenylpropylboronic acid

2-tert-butylpyrimidine-5-carbaldehyde

2H-1,4-Benzoxazine-3-methanamine,3,4-dihydro-

2H-Pyrido[1,2-a]pyrimidin-2-one,3,4-dihydro-9-methyl-

3-Amino-N,2-dimethylbenzamide

4-(AMINOMETHYL)-N-METHYLBENZAMIDE

4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-2-methyl-

N-(3-Amino-4-methylphenyl)acetamide

N-(3,4-DIMETHYLPHENYL)UREA

8-Methyl-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

2-(PYRROLIDIN-3-YLOXY)PYRIDINE

4-amino-N,N-dimethylbenzamide

PEG3

N-(3-aminomethyl-phenyl)-acetamide

Benzoic acid, 4-ethyl-,hydrazide

1-pyridin-4-ylpyrrolidin-3-ol

2-ISOPROPYLISONICOTINAMIDE

2-(benzylamino)acetamide

Mesitylboronic acid

H-Phe-NH2

Phenylalanine amide

1-Cyclopentyl-1H-pyrazole-4-carbaldehyde

4-ethoxybenzenecarboximidamide

2-mthoxy-5,6,7,8-tetrahydro-[1,6]naphthyridine

Benzyltrimethylsilane

Benzyl(trimethyl)silane

3-Amino-N-Ethylbenzamide

3-(aminomethyl)-N-methylbenzamide(SALTDATA: HCl)

2-Amino-N-ethylbenzamide

4-(Dimethylamino)benzamide

N-(2-Aminoethyl)benzamide

N-(5-Amino-2-methylphenyl)acetamide

3-methyl-1-pyrazin-2-ylbutan-1-one

3-(PHENYLAMINO)PROPANAMIDE

2-ETHOXY-BENZAMIDINE

4-(PYRROLIDIN-3-YLOXY)-PYRIDINE

2-ACETYLAMINO-4,5-DIMETHYLPYRIDINE

(R)-4-(1-AMINOETHYL)BENZAMIDE

(R)-1-(PYRIDIN-4-YL)PYRROLIDIN-3-OL

(4-Propylphenyl)boronic acid

2-amino-1-p-tolyl-ethanone oxime

4-Amino-N-ethylbenzamide

1,3-Diethyl-1,5,6,7-tetrahydroindazol-4-one

3-(3-PYRROLIDINYLOXY)PYRIDINE

2,2-DIMETHYL-1-(PYRIMIDIN-5-YL)PROPAN-1-ONE

N-cyclopropyl-4-methoxypyridin-2-amine

N-[4-(methylamino)phenyl]acetamide

dimethyl(2-phenylethyl)silicon

(3-Isopropylphenyl)boronic acid

1-(((4-BROMOMETHYL)PHENYL)THIO)-2-NITRO-(TRIFLUOROMETHYL)BENZENE

2-Amino-6-ethylbenzamide

4-methyl-2,3-dihydro-1,4-benzoxazin-7-amine

2-AMINO-N,N-DIMETHYLBENZAMIDE

(2-Isopropylphenyl)boronic acid

(2,2,6,6-2H4)Heptanedioic acid

C7H8D4O4 (164.0987)

3-PYRIDIN-3-YL MORPHOLINE

2,7-DIMETHYL-5-SILASPIRO[4.4]NONA-2,7-DIENE

1,1-Dimethoxy-2-(2-methoxyethoxy)ethane

3-(Dimethylamino)benzamide

(S)-1-(PYRIDIN-4-YL)PYRROLIDIN-3-OL

2-amino-N-methyl-N-phenylacetamide

N-methyl-N-nitroso-(3-methylphenyl)methylamine

3-ethoxybenzenecarboximidamide

Acetamide, N-(4-amino-2-methylphenyl)-

propyltrimethoxysilane

C6H16O3Si (164.0869)

3-Phenylpropanohydrazide

3,3-Diethoxy-1,2-propanediol

BUTYLENE GLYCOL PROPIONATE

2-(4-METHOXY-PHENYL)-ACETAMIDINE

2-amino-4-propan-2-ylpyridine-3-carbaldehyde

N-methyl-N-nitroso-(4-methylphenyl)methylamine

3-Amino-N,N-dimethylbenzamide

Triethoxysilane

C6H16O3Si (164.0869)

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

Acetamide, N-(2-amino-4-methylphenyl)-

1-(3,4-Dihydro-2H-1,4-benzoxazin-2-yl)methanamine

4-amino-3,5-dimethylbenzamide

1-(3-AMINO-4-(METHYLAMINO)PHENYL)ETHANONE

2,4-dimethylphenylurea

4-Isopropylphenylboronic acid

2-Amino-N,3-dimethylbenzamide

3-aMino-N,4-diMethylbenzaMide

Kondensationsprodukte von mehrwertigen aliphatischen Alkoholen oder Kohlehydraten oder 1,2-Ethylendiamin mit Ethylenoxid und/oder Propylenoxid