Exact Mass: 164.1001

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

1-Pyrimidinylpiperazine

1-(2-PYRIMIDINYL) PIPERAZINE

1-Pyrimidinylpiperazine is a metabolite of buspirone. Buspirone is an anxiolytic psychoactive drug of the azapirone chemical class, and is primarily used to treat generalized anxiety disorder (GAD) Bristol-Myers Squibb (BMS) gained FDA approval of buspirone in 1986 for treatment of GAD. The patent on Buspar by Bristol-Myers Squibb expired in 2001, and buspirone is available as a generic. (Wikipedia) D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants

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

2,2'-Azobis(2-methylpropionitrile)

2-[2-(1-cyano-1-methylethyl)diazen-1-yl]-2-methylpropanenitrile

(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

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

1-(2-Pyrimidyl)piperazine

1-(2-PYRIMIDINYL) PIPERAZINE

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

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

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

Pyrido[3,4-b]pyrazin-3-amine, 5,6,7,8-tetrahydro-6-methyl- (9CI)

Pyrido[3,4-b]pyrazin-2-amine, 5,6,7,8-tetrahydro-6-methyl- (9CI)

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

(1-METHYLPIPERIDIN-4-YL)METHANAMINE DIHYDROCHLORIDE

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

3-Cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

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

3-Piperazin-1-yl-pyridazine

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

2,2-Azobis(2-methylpropionitrile)

Benzyltrimethylsilane

Benzyl(trimethyl)silane

3-Amino-N-Ethylbenzamide

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

2-Amino-N-ethylbenzamide

4-(Piperazin-1-yl)pyrimidine

4-(Dimethylamino)benzamide

N-(2-Aminoethyl)benzamide

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

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

N-[4-(Aminomethyl)phenyl]-guanidine

3-(PHENYLAMINO)PROPANAMIDE

(Cyclohexylmethyl)hydrazine hydrochloride (1:1)

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

5-AMINO-1-TERT-BUTYL-1H-PYRAZOLE-4-CARBONITRILE

5-(1-Piperazinyl)pyrimidine

4-Amino-N-ethylbenzamide

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

(S)-N,N-Dimethyl(pyrrolidin-2-yl)Methanamine HCl

2-AMINO-3-PYRROLIDIN-1-YLPYRAZINE

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

2-[4-(cyanomethyl)piperazin-1-yl]acetonitrile

(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)

Trans-N,N-dimethyl-1,2-cyclopentanediamine dihydrochloride

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)-

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

6-pyrrolidin-1-ylpyrimidin-4-amine

3-Amino-N,N-dimethylbenzamide

Piperazine, 2-ethyl-5-methyl-, hydrochloride

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

1-CYCLOHEPTYLHYDRAZINE HYDROCHLORIDE

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

2-ethylbenzohydrazide

2-(4-Methylphenyl)acetohydrazide

N-(3-Aminophenyl)-N-methylacetamide

1-(2-Pyrazinyl)piperazine

2-MORPHOLINOPYRIDINE

5-Amino-5,6,7,8-tetrahydro-2(1H)-quinolinone

4-Amino-N-methylacetanilide

H-D-PHE-NH2

(R)-ALPHA-(2-NAPHTHALENYLMETHYL)-PROLINE-HCL

6-(DIMETHYLAMINO)-4-METHYLNICOTINALDEHYDE

BIS(2-METHOXYETHOXY)METHANE

(4-methylphenyl)methylurea

6-Iodo-2,3-dimethoxypyridine

2-Pyridinecarboxaldehyde,O-propyloxime

8-CHLORO-1-OCTANOL

C8H17ClO (164.0968)

1H-pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-(2-propenyl)-

2-(Pyridin-2-yl)morpholine

2-(Pyridin-3-yl)Morpholine

2-(Pyridin-4-yl)morpholine

3-(2-Aminoethyl)benzamide

Pluronic F-127

2-[2-(2-Hydroxyethoxy)propoxy]ethanol

D010592 - Pharmaceutic Aids > D014677 - Pharmaceutical Vehicles > D005079 - Excipients D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials

2-Fluoromethylornithine

C6H13FN2O2 (164.0961)

2-Cyano-2-cyclohexylideneacetamide

N-(3-Hydroxyphenyl)-N,N-dimethylformamidine

6-Hydroxy-nornicotine

4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro-6-methyl-

S-propylamine-L-cysteine

C6H16N2OS (164.0983)

6-Amino-3,9-dimethyl-9H-purin-3-ium

C7H10N5+ (164.0936)

(3R)-2,2-dimethyl-3-methylphosphonoyloxybutane

C7H17O2P (164.0966)

2-Deoxy-scyllo-inosamine(1+)

(2R,3S,4R,5S)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol

(2R,3R,4R,5S)-2-(hydroxymethyl)piperidin-1-ium-3,4,5-triol

(S)-N-methylcathinone

C10H14NO+ (164.1075)

4-amino-4,6-dideoxy-D-glucose

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

aldehydo-D-perosamine

3-amino-3,6-dideoxy-alpha-D-glucose

[(3S,4S,5S,6R)-2,3,5-trihydroxy-6-methyloxan-4-yl]azanium

2,3-Diamino-1-phenyl-1-propanone

(R)-methcathinone(1+)

C10H14NO+ (164.1075)

2-(1-Piperazinyl)pyrimidine

1-(2-PYRIMIDINYL) PIPERAZINE